*HEADER    DNA BINDING PROTEIN/TRANSCRIPTION       02-SEP-02   1MM3              
*TITLE     SOLUTION STRUCTURE OF THE 2ND PHD DOMAIN FROM MI2B WITH C-            
*TITLE    2 TERMINAL LOOP REPLACED BY CORRESPONDING LOOP FROM WSTF               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MI2-BETA(CHROMODOMAIN HELICASE-DNA-BINDING                 
*COMPND   3 PROTEIN 4) AND TRANSCRIPTION FACTOR WSTF;                            
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: RESIDUES 1-61;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: THE C-TERMINAL LOOP (RESIDUE 37-49) WAS               
*COMPND   8 REPLACED BY CORRESPONDING LOOP FROM WSTF.                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: CHD4;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-6P                                   
*KEYWDS    PHD, ZINC FINGER, PROTEIN SCAFFOLD                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.H.Y.KWAN, D.A.GELL, A.VERGER, M.CROSSLEY, J.M.MATTHEWS,             
*AUTHOR   2 J.P.MACKAY                                                           
*REVDAT   1   22-JUL-03 1MM3    0                                                

 ASSI {    2}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 48   and name HE1 ))
      2.100     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.28424E-01 ppm1      7.287 ppm2      9.820 CV     1
 ASSI {    3}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.41595E-02 ppm1      4.582 ppm2      9.839 CV     1
 ASSI {    4}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.27890E-02 ppm1      3.532 ppm2      9.223 CV     1
 ASSI {    5}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.65099E-02 ppm1      3.786 ppm2      9.207 CV     1
 ASSI {    6}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      5.300     3.500     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.10005E-03 ppm1      3.786 ppm2      0.580 CV     1
 ASSI {    7}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.100     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.24553E-01 ppm1      3.786 ppm2      0.788 CV     1
 ASSI {    8}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      2.200     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.21784E-01 ppm1      4.270 ppm2      3.744 CV     1
 ASSI {    9}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.21781E-02 ppm1      4.422 ppm2      3.742 CV     1
 ASSI {   10}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      4.424 CV     1
 ASSI {   11}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.421 ppm2      9.175 CV     1
 ASSI {   12}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.58624E-02 ppm1      4.270 ppm2      9.175 CV     1
 ASSI {   13}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.743 ppm2      9.175 CV     1
 ASSI {   14}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1      4.508 ppm2      9.122 CV     1
 ASSI {   15}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.43685E-02 ppm1      3.209 ppm2      9.122 CV     1
 ASSI {   16}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.28376E-02 ppm1      3.032 ppm2      9.122 CV     1
 ASSI {   17}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.213 ppm2      3.026 CV     1
 ASSI {   18}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.21836E-02 ppm1      4.513 ppm2      3.024 CV     1
 ASSI {   19}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      3.205 CV     1
 ASSI {   20}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.346 ppm2      9.109 CV     1
 ASSI {   21}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.12965E-01 ppm1      1.122 ppm2      9.111 CV     1
 ASSI {   22}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      9.109 CV     1
 ASSI {   23}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.12975E-02 ppm1      0.806 ppm2      9.109 CV     1
 ASSI {   24}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      4.500     2.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.27479E-03 ppm1      0.292 ppm2      9.111 CV     1
 ASSI {   25}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1     -0.456 ppm2      9.111 CV     1
 ASSI {   26}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      2.000     0.500     0.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.31868E-01 ppm1      0.291 ppm2     -0.456 CV     1
 ASSI {   27}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      2.100     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.24950E-01 ppm1      0.808 ppm2     -0.459 CV     1
 ASSI {   28}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.10810E-01 ppm1      0.905 ppm2     -0.456 CV     1
 ASSI {   29}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      2.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.72637E-02 ppm1      1.120 ppm2     -0.459 CV     1
 ASSI {   30}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
      3.300     1.400     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.17083E-02 ppm1      1.124 ppm2      0.284 CV     1
 ASSI {   31}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.120 ppm2      0.809 CV     1
 ASSI {   32}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.87747E-02 ppm1      1.120 ppm2      0.886 CV     1
 ASSI {   33}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      2.300     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.13414E-01 ppm1      0.905 ppm2      0.287 CV     1
 ASSI {   34}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      1.115 CV     1
 ASSI {   35}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      0.908 CV     1
 ASSI {   36}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      0.809 CV     1
 ASSI {   38}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      5.100     3.200     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.13054E-03 ppm1      4.345 ppm2     -0.461 CV     1
 ASSI {   39}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.700     1.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.96552E-03 ppm1      5.529 ppm2      9.100 CV     1
 ASSI {   40}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      4.800     2.800     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.19256E-03 ppm1      2.970 ppm2      9.100 CV     1
 ASSI {   41}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.40875E-02 ppm1      2.412 ppm2      9.097 CV     1
 ASSI {   42}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.000     0.500     0.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.39231E-01 ppm1      2.968 ppm2      2.416 CV     1
 ASSI {   43}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.100     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.23182E-02 ppm1      5.524 ppm2      2.967 CV     1
 ASSI {   44}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.200     2.200     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.40362E-03 ppm1      5.527 ppm2      2.413 CV     1
 ASSI {   45}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.48139E-02 ppm1      4.861 ppm2      9.077 CV     1
 ASSI {   46}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.80860E-02 ppm1      2.803 ppm2      9.077 CV     1
 ASSI {   47}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.715 ppm2      9.077 CV     1
 ASSI {   48}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.863 ppm2      2.804 CV     1
 ASSI {   49}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.863 ppm2      2.714 CV     1
 ASSI {   50}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.40807E-02 ppm1      3.996 ppm2      8.839 CV     1
 ASSI {   51}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      2.300     0.700     0.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.14085E-01 ppm1      2.296 ppm2      8.840 CV     1
 ASSI {   52}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      2.300     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.17032E-01 ppm1      1.288 ppm2      8.839 CV     1
 ASSI {   53}
   (  segid "    " and resid 14   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.12979E-02 ppm1      1.123 ppm2      8.840 CV     1
 ASSI {   54}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.998 ppm2      2.297 CV     1
 ASSI {   55}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.998 ppm2      1.286 CV     1
 ASSI {   56}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG1%)
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.998 ppm2      1.123 CV     1
 ASSI {   57}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.16991E-01 ppm1      2.296 ppm2      1.284 CV     1
 ASSI {   58}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG1%)
      2.300     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.13479E-01 ppm1      2.295 ppm2      1.123 CV     1
 ASSI {   60}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 14   and name HG1%)
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      1.125 CV     1
 ASSI {   63}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.60816E-03 ppm1      4.107 ppm2      8.794 CV     1
 ASSI {   64}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.100     3.200     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13123E-03 ppm1      1.813 ppm2      8.793 CV     1
 ASSI {   65}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      1.813 CV     1
 ASSI {   66}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      8.774 CV     1
 ASSI {   68}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      8.774 CV     1
 ASSI {   69}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.056 ppm2      8.774 CV     1
 ASSI {   70}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      8.772 CV     1
 ASSI {   71}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      2.247 CV     1
 ASSI {   72}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      2.196 CV     1
 ASSI {   73}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.058 CV     1
 ASSI {   74}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.500     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.023 CV     1
 ASSI {   75}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.827 ppm2      8.742 CV     1
 ASSI {   76}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.64996E-02 ppm1      3.274 ppm2      8.742 CV     1
 ASSI {   77}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.000     2.000     2.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.51086E-03 ppm1      2.669 ppm2      8.742 CV     1
 ASSI {   79}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.831 ppm2      3.275 CV     1
 ASSI {   80}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.831 ppm2      2.669 CV     1
 ASSI {   81}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      8.669 CV     1
 ASSI {   82}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.57904E-02 ppm1      1.423 ppm2      8.672 CV     1
 OR {   82}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {   83}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HD3 ))
      6.000     4.500     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      3.262 CV     1
 ASSI {   85}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HD2 ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.267 ppm2      3.130 CV     1
 ASSI {   87}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
      3.400     1.400     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      3.908 ppm2      1.615 CV     1
 ASSI {   88}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.900     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.38648E-02 ppm1      3.910 ppm2      1.417 CV     1
 OR {   88}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   89}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HG3 ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.275 ppm2      1.706 CV     1
 ASSI {   90}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HG3 ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.135 ppm2      1.706 CV     1
 ASSI {   91}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HG2 ))
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.267 ppm2      1.618 CV     1
 ASSI {   92}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HB3 ))
      6.000     4.500     0.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      1.420 CV     1
 OR {   92}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   93}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HG2 ))
      6.000     4.500     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.131 ppm2      1.614 CV     1
 ASSI {   94}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HB3 ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.135 ppm2      1.420 CV     1
 OR {   94}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   98}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.292 ppm2      8.585 CV     1
 ASSI {   99}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.083 ppm2      8.585 CV     1
 ASSI {  101}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.982 ppm2      8.585 CV     1
 ASSI {  102}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.558 ppm2      8.662 CV     1
 ASSI {  103}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.15679E-02 ppm1      4.192 ppm2      8.640 CV     1
 ASSI {  104}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.26958E-02 ppm1      2.586 ppm2      8.643 CV     1
 ASSI {  105}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      8.643 CV     1
 ASSI {  106}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.700     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.58761E-02 ppm1      2.585 ppm2      1.862 CV     1
 ASSI {  107}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      1.860 CV     1
 ASSI {  108}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
      2.900     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.34674E-02 ppm1      4.194 ppm2      2.584 CV     1
 ASSI {  109}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.873 ppm2      8.604 CV     1
 ASSI {  110}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.958 ppm2      8.604 CV     1
 ASSI {  111}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
      2.100     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.26146E-01 ppm1      0.902 ppm2      8.606 CV     1
 OR {  111}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  112}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      1.800     0.400     0.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.60302E-01 ppm1      1.948 ppm2      0.901 CV     1
 OR {  112}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  113}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      2.100     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.25724E-01 ppm1      3.869 ppm2      0.900 CV     1
 OR {  113}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  114}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.44507E-02 ppm1      3.867 ppm2      1.947 CV     1
 ASSI {  117}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.487 ppm2      8.502 CV     1
 ASSI {  118}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.159 ppm2      8.499 CV     1
 ASSI {  119}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     1.400     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.16210E-02 ppm1      2.815 ppm2      8.500 CV     1
 ASSI {  120}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.157 ppm2      2.809 CV     1
 ASSI {  121}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.489 ppm2      3.160 CV     1
 ASSI {  122}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.40190E-02 ppm1      4.489 ppm2      2.810 CV     1
 ASSI {  123}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.826 ppm2      8.461 CV     1
 ASSI {  124}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.100     1.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.35702E-02 ppm1      2.284 ppm2      8.461 CV     1
 ASSI {  125}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12640E-02 ppm1      1.768 ppm2      8.461 CV     1
 ASSI {  126}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.275 ppm2      1.767 CV     1
 ASSI {  127}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.828 ppm2      2.274 CV     1
 ASSI {  128}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.826 ppm2      1.767 CV     1
 ASSI {  130}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.200     1.200 peak   130 spectrum    1 weight  0.10000E+01 volume  0.22853E-02 ppm1      4.646 ppm2      8.445 CV     1
 ASSI {  131}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.639 ppm2      8.445 CV     1
 ASSI {  132}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.678 ppm2      8.445 CV     1
 ASSI {  134}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.648 ppm2      2.679 CV     1
 ASSI {  135}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.648 ppm2      2.637 CV     1
 ASSI {  136}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      8.371 CV     1
 ASSI {  137}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak   137 spectrum    1 weight  0.10000E+01 volume  0.19948E-02 ppm1      2.274 ppm2      8.371 CV     1
 ASSI {  138}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.965 ppm2      8.373 CV     1
 ASSI {  139}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.276 ppm2      1.967 CV     1
 ASSI {  140}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      2.272 CV     1
 ASSI {  141}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      1.966 CV     1
 ASSI {  142}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.35805E-02 ppm1      4.130 ppm2      8.291 CV     1
 ASSI {  143}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.273 ppm2      8.292 CV     1
 ASSI {  144}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.177 ppm2      8.291 CV     1
 ASSI {  145}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.938 ppm2      8.293 CV     1
 ASSI {  146}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.890 ppm2      8.293 CV     1
 ASSI {  147}
   (( segid "    " and resid 52   and name HG3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      8.290 CV     1
 ASSI {  148}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      4.900     3.100     1.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.15350E-03 ppm1      1.679 ppm2      8.291 CV     1
 ASSI {  149}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HD2 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      3.181 CV     1
 ASSI {  150}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.272 ppm2      1.936 CV     1
 ASSI {  151}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.269 ppm2      1.889 CV     1
 ASSI {  152}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.272 ppm2      1.793 CV     1
 ASSI {  153}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.272 ppm2      1.681 CV     1
 ASSI {  154}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      1.936 CV     1
 ASSI {  156}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.182 ppm2      1.794 CV     1
 ASSI {  157}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.183 ppm2      1.682 CV     1
 ASSI {  158}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak   158 spectrum    1 weight  0.10000E+01 volume  0.35942E-02 ppm1      4.990 ppm2      8.263 CV     1
 ASSI {  159}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.234 ppm2      8.263 CV     1
 ASSI {  160}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.711 ppm2      8.264 CV     1
 ASSI {  161}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.17837E-01 ppm1      3.235 ppm2      2.711 CV     1
 ASSI {  162}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.992 ppm2      2.711 CV     1
 ASSI {  163}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.300     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.14939E-01 ppm1      4.994 ppm2      3.233 CV     1
 ASSI {  164}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.000     0.500     0.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.38511E-01 ppm1      4.167 ppm2      8.161 CV     1
 ASSI {  165}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.931 ppm2      8.161 CV     1
 OR {  165}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  166}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.41013E-03 ppm1      2.203 ppm2      8.158 CV     1
 ASSI {  167}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.19581E-02 ppm1      1.820 ppm2      8.160 CV     1
 ASSI {  168}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.27033E-03 ppm1      1.613 ppm2      8.161 CV     1
 ASSI {  169}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.91002E-03 ppm1      1.481 ppm2      8.163 CV     1
 ASSI {  170}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
      4.600     2.600     1.400 peak   170 spectrum    1 weight  0.10000E+01 volume  0.23710E-03 ppm1      1.312 ppm2      8.161 CV     1
 ASSI {  171}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.26965E-03 ppm1      1.201 ppm2      8.160 CV     1
 ASSI {  172}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.316 ppm2      1.202 CV     1
 ASSI {  173}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.481 ppm2      1.203 CV     1
 ASSI {  174}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.623 ppm2      1.198 CV     1
 ASSI {  175}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.825 ppm2      1.203 CV     1
 ASSI {  176}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
      3.200     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.22514E-02 ppm1      2.202 ppm2      1.202 CV     1
 ASSI {  177}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.938 ppm2      1.203 CV     1
 OR {  177}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  178}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.478 ppm2      1.311 CV     1
 ASSI {  179}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      1.311 CV     1
 ASSI {  180}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.623 ppm2      1.481 CV     1
 ASSI {  181}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.825 ppm2      1.313 CV     1
 ASSI {  182}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.832 ppm2      1.479 CV     1
 ASSI {  183}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.800     1.000     1.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.44781E-02 ppm1      2.202 ppm2      1.313 CV     1
 ASSI {  184}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.207 ppm2      1.483 CV     1
 ASSI {  185}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.207 ppm2      1.617 CV     1
 ASSI {  186}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.207 ppm2      1.828 CV     1
 ASSI {  189}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.938 ppm2      1.313 CV     1
 OR {  189}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI {  190}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.926 ppm2      1.483 CV     1
 OR {  190}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  191}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.926 ppm2      1.614 CV     1
 OR {  191}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {  192}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.926 ppm2      1.828 CV     1
 OR {  192}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  193}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.926 ppm2      2.201 CV     1
 OR {  193}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  194}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.203 CV     1
 ASSI {  195}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.311 CV     1
 ASSI {  196}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      1.479 CV     1
 ASSI {  197}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.611 CV     1
 ASSI {  198}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.823 CV     1
 ASSI {  199}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.167 ppm2      2.203 CV     1
 ASSI {  200}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HE3 ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      2.937 CV     1
 OR {  200}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HE2 ))
 ASSI {  201}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.55746E-02 ppm1      4.045 ppm2      8.240 CV     1
 ASSI {  202}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.253 ppm2      8.240 CV     1
 ASSI {  203}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HB% )
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.050 ppm2      1.254 CV     1
 ASSI {  204}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.52456E-02 ppm1      4.919 ppm2      8.067 CV     1
 ASSI {  205}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.15877E-02 ppm1      3.373 ppm2      8.071 CV     1
 ASSI {  206}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.30007E-02 ppm1      2.978 ppm2      8.070 CV     1
 ASSI {  207}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.900     0.500     0.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.45981E-01 ppm1      3.380 ppm2      2.984 CV     1
 ASSI {  208}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.20510E-01 ppm1      4.923 ppm2      2.976 CV     1
 ASSI {  209}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.100     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.23110E-01 ppm1      4.923 ppm2      3.387 CV     1
 ASSI {  210}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.100     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.37244E-02 ppm1      3.980 ppm2      7.935 CV     1
 ASSI {  211}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.200     0.600     0.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.20020E-01 ppm1      2.753 ppm2      7.936 CV     1
 OR {  211}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  212}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.13746E-01 ppm1      3.977 ppm2      2.755 CV     1
 OR {  212}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
 ASSI {  213}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.64071E-02 ppm1      1.421 ppm2      8.032 CV     1
 ASSI {  214}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.216 ppm2      8.032 CV     1
 ASSI {  215}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.918 ppm2      8.031 CV     1
 ASSI {  216}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      5.000     3.100     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.15178E-03 ppm1      0.400 ppm2      8.032 CV     1
 ASSI {  217}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      3.800     1.800     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.74556E-03 ppm1     -0.161 ppm2      8.030 CV     1
 ASSI {  218}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.379 ppm2      8.034 CV     1
 ASSI {  219}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.379 ppm2      1.427 CV     1
 ASSI {  220}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.379 ppm2      1.220 CV     1
 ASSI {  221}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.379 ppm2      0.920 CV     1
 ASSI {  222}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      4.300     2.300     1.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.34537E-03 ppm1      4.379 ppm2      0.400 CV     1
 ASSI {  224}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      2.900     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.39711E-02 ppm1      1.424 ppm2     -0.160 CV     1
 ASSI {  225}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.13273E-01 ppm1      1.426 ppm2      0.399 CV     1
 ASSI {  226}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.429 ppm2      1.218 CV     1
 ASSI {  227}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 21   and name HD1%)
      2.100     0.600     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.23275E-01 ppm1      1.216 ppm2     -0.161 CV     1
 ASSI {  228}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      2.600     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.76406E-02 ppm1      0.918 ppm2     -0.161 CV     1
 ASSI {  229}
   (  segid "    " and resid 21   and name HD2%)
   (  segid "    " and resid 21   and name HD1%)
      2.000     0.500     0.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.40601E-01 ppm1      0.397 ppm2     -0.161 CV     1
 ASSI {  230}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 21   and name HD2%)
      2.100     0.500     0.500 peak   230 spectrum    1 weight  0.10000E+01 volume  0.26454E-01 ppm1      1.216 ppm2      0.399 CV     1
 ASSI {  231}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      2.400     0.700     0.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.10834E-01 ppm1      0.918 ppm2      0.399 CV     1
 ASSI {  232}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.321 ppm2      8.044 CV     1
 ASSI {  234}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      8.044 CV     1
 ASSI {  235}
   (  segid "    " and resid 58   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.932 ppm2      8.044 CV     1
 ASSI {  236}
   (( segid "    " and resid 58   and name HG  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.605 ppm2      8.041 CV     1
 ASSI {  237}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.694 ppm2      8.041 CV     1
 OR {  237}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  238}
   (  segid "    " and resid 58   and name HD2%)
   (  segid "    " and resid 58   and name HD1%)
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.926 ppm2      0.861 CV     1
 ASSI {  239}
   (( segid "    " and resid 58   and name HG  ))
   (  segid "    " and resid 58   and name HD1%)
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      0.861 CV     1
 ASSI {  240}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      0.861 CV     1
 ASSI {  241}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 58   and name HD2%)
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      0.920 CV     1
 ASSI {  242}
   (( segid "    " and resid 58   and name HG  ))
   (  segid "    " and resid 58   and name HD2%)
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      0.922 CV     1
 ASSI {  243}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      1.695 CV     1
 OR {  243}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  244}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG  ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      1.603 CV     1
 ASSI {  245}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD2%)
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      0.922 CV     1
 ASSI {  246}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      0.861 CV     1
 ASSI {  247}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.300     1.300 peak   247 spectrum    1 weight  0.10000E+01 volume  0.18238E-02 ppm1      4.512 ppm2      7.951 CV     1
 ASSI {  248}
   (( segid "    " and resid 37   and name HD3 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      7.949 CV     1
 ASSI {  249}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.195 ppm2      7.951 CV     1
 ASSI {  250}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.754 ppm2      7.951 CV     1
 ASSI {  251}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.665 ppm2      7.949 CV     1
 ASSI {  252}
   (( segid "    " and resid 37   and name HG3 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.504 ppm2      7.951 CV     1
 OR {  252}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  254}
   (( segid "    " and resid 37   and name HD3 ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      1.753 CV     1
 ASSI {  261}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HG3 ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      1.500 CV     1
 OR {  261}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HG2 ))
 ASSI {  268}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HD2 ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.514 ppm2      3.195 CV     1
 ASSI {  269}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HD3 ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.511 ppm2      3.269 CV     1
 ASSI {  270}
   (( segid "    " and resid 37   and name HD3 ))
   (( segid "    " and resid 37   and name HD2 ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.274 ppm2      3.196 CV     1
 ASSI {  290}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.19472E-02 ppm1      5.707 ppm2      7.695 CV     1
 ASSI {  291}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.11858E-02 ppm1      3.507 ppm2      7.699 CV     1
 ASSI {  292}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.22031E-03 ppm1      3.311 ppm2      7.697 CV     1
 ASSI {  293}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.509 ppm2      3.311 CV     1
 ASSI {  294}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.900     1.000     1.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.41835E-02 ppm1      5.707 ppm2      3.507 CV     1
 ASSI {  295}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.23268E-02 ppm1      5.707 ppm2      3.311 CV     1
 ASSI {  296}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.077 ppm2      7.639 CV     1
 ASSI {  297}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.936 ppm2      7.650 CV     1
 ASSI {  298}
   (( segid "    " and resid 54   and name HB  ))
   (  segid "    " and resid 54   and name HG2%)
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.073 ppm2      0.933 CV     1
 ASSI {  299}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.25700E-02 ppm1      4.413 ppm2      7.464 CV     1
 ASSI {  300}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   300 spectrum    1 weight  0.10000E+01 volume  0.24395E-02 ppm1      1.630 ppm2      7.465 CV     1
 ASSI {  301}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.500     1.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      1.524 ppm2      7.466 CV     1
 ASSI {  302}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.46358E-02 ppm1      1.394 ppm2      7.465 CV     1
 ASSI {  303}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.798 ppm2      7.465 CV     1
 ASSI {  304}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.733 ppm2      7.465 CV     1
 ASSI {  305}
   (  segid "    " and resid 40   and name HD2%)
   (  segid "    " and resid 40   and name HD1%)
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.798 ppm2      0.735 CV     1
 ASSI {  306}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.59000E-02 ppm1      1.391 ppm2      0.735 CV     1
 ASSI {  307}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.55951E-02 ppm1      1.523 ppm2      0.735 CV     1
 ASSI {  308}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      2.600     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.71541E-02 ppm1      1.628 ppm2      0.735 CV     1
 ASSI {  309}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.391 ppm2      0.797 CV     1
 ASSI {  310}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
      3.000     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.28109E-02 ppm1      1.523 ppm2      0.797 CV     1
 ASSI {  311}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.84595E-02 ppm1      1.628 ppm2      0.797 CV     1
 ASSI {  312}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      3.600     1.600     1.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      4.416 ppm2      0.735 CV     1
 ASSI {  313}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.416 ppm2      0.797 CV     1
 ASSI {  314}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      1.390 CV     1
 ASSI {  315}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.413 ppm2      1.522 CV     1
 ASSI {  316}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      1.628 CV     1
 ASSI {  317}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.460 ppm2      7.418 CV     1
 ASSI {  318}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.60200E-03 ppm1      2.083 ppm2      7.416 CV     1
 OR {  318}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {  319}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     1.700     1.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.96552E-03 ppm1      1.956 ppm2      7.417 CV     1
 ASSI {  320}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      1.822 ppm2      7.417 CV     1
 ASSI {  321}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.824 CV     1
 OR {  321}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  322}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      1.824 CV     1
 ASSI {  323}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.086 ppm2      1.952 CV     1
 OR {  323}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI {  324}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.460 ppm2      2.081 CV     1
 OR {  324}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI {  325}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      1.963 CV     1
 ASSI {  326}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      1.824 CV     1
 ASSI {  327}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   327 spectrum    1 weight  0.10000E+01 volume  0.32577E-02 ppm1      4.405 ppm2      7.352 CV     1
 ASSI {  328}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.217 ppm2      7.353 CV     1
 ASSI {  329}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      7.352 CV     1
 ASSI {  331}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.600     0.800     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.74042E-02 ppm1      4.403 ppm2      3.215 CV     1
 ASSI {  332}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.200     2.200     1.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.41458E-03 ppm1      4.401 ppm2      2.877 CV     1
 ASSI {  333}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.690 ppm2      7.115 CV     1
 ASSI {  334}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.380 ppm2      7.115 CV     1
 ASSI {  335}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      7.115 CV     1
 ASSI {  336}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.376 ppm2      3.083 CV     1
 ASSI {  337}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.686 ppm2      3.088 CV     1
 ASSI {  338}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     4.500     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.686 ppm2      3.376 CV     1
 ASSI {  339}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.300     2.300     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.37997E-03 ppm1      5.002 ppm2      6.963 CV     1
 ASSI {  340}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.57767E-03 ppm1      2.297 ppm2      6.963 CV     1
 ASSI {  341}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.58555E-03 ppm1      2.094 ppm2      6.963 CV     1
 ASSI {  342}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.94771E-02 ppm1      1.450 ppm2      6.963 CV     1
 OR {  342}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  343}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.600     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.74179E-02 ppm1      2.296 ppm2      1.450 CV     1
 OR {  343}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.54786E-02 ppm1      2.094 ppm2      1.450 CV     1
 OR {  344}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  345}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
      3.300     1.400     1.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.17495E-02 ppm1      5.003 ppm2      2.295 CV     1
 ASSI {  346}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.200     1.200     1.200 peak   346 spectrum    1 weight  0.10000E+01 volume  0.22682E-02 ppm1      5.003 ppm2      2.090 CV     1
 ASSI {  347}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.000 ppm2      1.448 CV     1
 OR {  347}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  348}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.63043E-03 ppm1      2.448 ppm2      6.790 CV     1
 ASSI {  349}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.800     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.19393E-03 ppm1      2.690 ppm2      6.788 CV     1
 ASSI {  350}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.452 ppm2      6.790 CV     1
 ASSI {  351}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.400     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.10502E-01 ppm1      4.454 ppm2      2.695 CV     1
 ASSI {  352}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.000     1.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.38203E-02 ppm1      4.452 ppm2      2.442 CV     1
 ASSI {  353}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      1.900     0.500     0.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.41389E-01 ppm1      2.692 ppm2      2.444 CV     1
 ASSI {  354}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.39848E-02 ppm1      4.141 ppm2      6.661 CV     1
 ASSI {  355}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HN  ))
      2.000     0.500     0.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.32844E-01 ppm1      1.736 ppm2      6.661 CV     1
 ASSI {  356}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      6.661 CV     1
 OR {  356}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  357}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD1%)
      2.300     0.700     0.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.13472E-01 ppm1      1.727 ppm2      0.527 CV     1
 ASSI {  358}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      2.500     0.800     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.86719E-02 ppm1      1.445 ppm2      0.528 CV     1
 ASSI {  359}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 36   and name HD1%)
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.794 ppm2      0.529 CV     1
 ASSI {  360}
   (( segid "    " and resid 36   and name HG  ))
   (  segid "    " and resid 36   and name HD2%)
      2.300     0.700     0.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.14192E-01 ppm1      1.722 ppm2      0.795 CV     1
 ASSI {  361}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD2%)
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      0.793 CV     1
 ASSI {  363}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      4.000     2.000     2.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.53142E-03 ppm1      4.137 ppm2      0.793 CV     1
 ASSI {  364}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      1.440 CV     1
 OR {  364}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  365}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      1.731 CV     1
 ASSI {  366}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      0.582 CV     1
 ASSI {  367}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.12060E-01 ppm1      1.176 ppm2      0.580 CV     1
 ASSI {  368}
   (( segid "    " and resid 33   and name HG13))
   (  segid "    " and resid 33   and name HD1%)
      2.200     0.600     0.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.19119E-01 ppm1      1.392 ppm2      0.582 CV     1
 ASSI {  369}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.11146E-01 ppm1      1.852 ppm2      0.580 CV     1
 ASSI {  370}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.27523E-02 ppm1      1.177 ppm2      0.789 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HG13))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.392 ppm2      0.788 CV     1
 ASSI {  372}
   (( segid "    " and resid 33   and name HG13))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.392 ppm2      1.175 CV     1
 ASSI {  373}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.400     0.700     0.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.12790E-01 ppm1      1.854 ppm2      0.786 CV     1
 ASSI {  374}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.854 ppm2      1.177 CV     1
 ASSI {  375}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG13))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.854 ppm2      1.395 CV     1
 ASSI {  376}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      2.500     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.87370E-02 ppm1      3.788 ppm2      1.852 CV     1
 ASSI {  377}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HB3 ))
      4.100     2.100     1.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.45364E-03 ppm1      3.362 ppm2      2.317 CV     1
 ASSI {  378}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      1.921 CV     1
 ASSI {  380}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      1.747 CV     1
 OR {  380}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI {  381}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      2.317 CV     1
 ASSI {  382}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      2.317 CV     1
 ASSI {  387}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.640 ppm2      1.921 CV     1
 ASSI {  388}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.412 ppm2      1.921 CV     1
 ASSI {  389}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      1.747 CV     1
 OR {  389}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG3 ))
 ASSI {  390}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      1.747 CV     1
 OR {  390}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI {  391}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.100     0.600     0.600 peak   391 spectrum    1 weight  0.10000E+01 volume  0.26286E-01 ppm1      3.636 ppm2      3.354 CV     1
 ASSI {  392}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.800     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.51977E-02 ppm1      5.288 ppm2      3.077 CV     1
 ASSI {  393}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.35942E-02 ppm1      5.288 ppm2      2.978 CV     1
 ASSI {  394}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.511 ppm2      2.409 CV     1
 ASSI {  395}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.509 ppm2      2.083 CV     1
 ASSI {  396}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.506 ppm2      1.897 CV     1
 ASSI {  397}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.593 ppm2      2.409 CV     1
 ASSI {  398}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.900     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.41698E-02 ppm1      4.628 ppm2      2.409 CV     1
 ASSI {  399}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      2.084 CV     1
 ASSI {  400}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.49578E-02 ppm1      4.625 ppm2      2.085 CV     1
 ASSI {  401}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.597 ppm2      1.896 CV     1
 OR {  401}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  402}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.623 ppm2      1.897 CV     1
 OR {  402}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  403}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      6.000     4.500     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.632 ppm2      3.600 CV     1
 ASSI {  404}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      3.507 CV     1
 ASSI {  405}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      3.361 CV     1
 ASSI {  406}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HD3 ))
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      3.638 CV     1
 ASSI {  407}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      1.746 CV     1
 OR {  407}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HG3 ))
 ASSI {  408}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.321 ppm2      1.920 CV     1
 ASSI {  409}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.410 ppm2      2.082 CV     1
 ASSI {  410}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HG3 ))
      6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.410 ppm2      1.896 CV     1
 OR {  410}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  411}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG2 ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.094 ppm2      1.897 CV     1
 OR {  411}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG3 ))
 ASSI {  419}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD3 ))
      4.400     2.500     1.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.29158E-03 ppm1      4.130 ppm2      3.273 CV     1
 ASSI {  420}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD2 ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.130 ppm2      3.177 CV     1
 ASSI {  421}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.130 ppm2      1.938 CV     1
 ASSI {  422}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.130 ppm2      1.891 CV     1
 ASSI {  423}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.133 ppm2      1.792 CV     1
 ASSI {  424}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      1.679 CV     1
 ASSI {  443}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD3 ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.462 ppm2      3.603 CV     1
 ASSI {  444}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      3.554 CV     1
 ASSI {  445}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     4.500     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.462 ppm2      2.293 CV     1
 ASSI {  446}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.462 ppm2      1.989 CV     1
 ASSI {  447}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      1.952 CV     1
 ASSI {  448}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.462 ppm2      1.925 CV     1
 ASSI {  449}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.604 ppm2      2.293 CV     1
 ASSI {  450}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.552 ppm2      2.293 CV     1
 ASSI {  451}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.604 ppm2      1.987 CV     1
 ASSI {  452}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.552 ppm2      1.986 CV     1
 ASSI {  453}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HG3 ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.604 ppm2      1.953 CV     1
 ASSI {  454}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HG3 ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.556 ppm2      1.952 CV     1
 ASSI {  455}
   (( segid "    " and resid 56   and name HD3 ))
   (( segid "    " and resid 56   and name HG2 ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      1.924 CV     1
 ASSI {  456}
   (( segid "    " and resid 56   and name HD2 ))
   (( segid "    " and resid 56   and name HG2 ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.554 ppm2      1.925 CV     1
 ASSI {  457}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HG2 ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.296 ppm2      1.924 CV     1
 ASSI {  458}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HG3 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.296 ppm2      1.952 CV     1
 ASSI {  459}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.294 ppm2      1.989 CV     1
 ASSI {  460}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD3 ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.227 ppm2      3.371 CV     1
 ASSI {  461}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.227 ppm2      3.119 CV     1
 ASSI {  462}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.367 ppm2      3.119 CV     1
 ASSI {  463}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
      2.300     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.13935E-01 ppm1      4.227 ppm2      2.385 CV     1
 OR {  463}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  464}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.226 ppm2      1.920 CV     1
 OR {  464}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  465}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HB3 ))
      3.600     1.700     1.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.96278E-03 ppm1      3.371 ppm2      2.385 CV     1
 OR {  465}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  466}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.26005E-02 ppm1      3.123 ppm2      2.385 CV     1
 OR {  466}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB3 ))
 ASSI {  467}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.371 ppm2      1.923 CV     1
 OR {  467}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  468}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.123 ppm2      1.923 CV     1
 ASSI {  469}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HG3 ))
      6.000     4.500     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.395 ppm2      1.923 CV     1
 OR {  469}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
 OR {  469}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  470}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.380 ppm2      3.689 CV     1
 ASSI {  471}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.380 ppm2      3.499 CV     1
 ASSI {  472}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.100     0.600     0.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.25169E-01 ppm1      3.693 ppm2      3.501 CV     1
 ASSI {  473}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.383 ppm2      2.117 CV     1
 OR {  473}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI {  475}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.383 ppm2      1.797 CV     1
 ASSI {  476}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      1.928 CV     1
 ASSI {  477}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.695 ppm2      2.113 CV     1
 OR {  477}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI {  478}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.506 ppm2      2.113 CV     1
 OR {  478}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  479}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG3 ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.689 ppm2      1.929 CV     1
 ASSI {  480}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG3 ))
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.502 ppm2      1.930 CV     1
 ASSI {  481}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.693 ppm2      1.796 CV     1
 ASSI {  482}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.506 ppm2      1.796 CV     1
 ASSI {  483}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.113 ppm2      1.795 CV     1
 OR {  483}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  490}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      6.000     4.500     0.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.691 ppm2      1.095 CV     1
 ASSI {  496}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.400     0.700     0.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.12718E-01 ppm1      4.596 ppm2      3.026 CV     1
 OR {  496}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  498}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      1.384 CV     1
 ASSI {  499}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.900     0.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.71164E-02 ppm1      3.994 ppm2      8.038 CV     1
 OR {  499}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  502}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.808 ppm2      0.287 CV     1
 ASSI {  503}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.50880E-02 ppm1      2.585 ppm2      1.710 CV     1
 ASSI {  504}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      1.714 CV     1
 ASSI {  509}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.064 ppm2      8.794 CV     1
 ASSI {  510}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.108 ppm2      8.794 CV     1
 ASSI {  511}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.220 ppm2      8.794 CV     1
 ASSI {  512}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.216 CV     1
 ASSI {  513}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.107 ppm2      2.110 CV     1
 ASSI {  514}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.105 ppm2      2.061 CV     1
 ASSI {  516}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.54683E-02 ppm1      3.880 ppm2      8.278 CV     1
 ASSI {  517}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      8.281 CV     1
 ASSI {  518}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     4.500     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.877 ppm2      3.333 CV     1
 ASSI {  519}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HA1 ))
      2.100     0.600     0.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.23401E-01 ppm1      4.555 ppm2      3.665 CV     1
 ASSI {  521}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      8.572 CV     1
 ASSI {  522}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 18   and name HA1 ))
      2.600     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.77914E-02 ppm1      4.474 ppm2      3.891 CV     1
 ASSI {  524}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HB2 ))
      2.100     0.500     0.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.27352E-01 ppm1      3.869 ppm2      2.697 CV     1
 ASSI {  525}
   (  segid "    " and resid 3    and name HD2%)
   (  segid "    " and resid 3    and name HD1%)
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.152 ppm2     -0.002 CV     1
 ASSI {  526}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2     -0.001 CV     1
 ASSI {  527}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 3    and name HD1%)
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.006 ppm2     -0.002 CV     1
 ASSI {  528}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.117 ppm2     -0.004 CV     1
 ASSI {  529}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.109 ppm2      0.147 CV     1
 ASSI {  530}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.010 ppm2      0.147 CV     1
 ASSI {  531}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.747 ppm2      0.147 CV     1
 ASSI {  535}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HE3 ))
      4.600     2.700     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.22476E-03 ppm1      6.517 ppm2      7.318 CV     1
 ASSI {  536}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 48   and name HE3 ))
      2.500     0.800     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.92852E-02 ppm1      6.642 ppm2      7.318 CV     1
 ASSI {  537}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HZ2 ))
      2.100     0.500     0.500 peak   537 spectrum    1 weight  0.10000E+01 volume  0.29024E-01 ppm1      6.517 ppm2      7.087 CV     1
 ASSI {  538}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HZ3 ))
      2.200     0.600     0.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.17782E-01 ppm1      6.517 ppm2      6.637 CV     1
 ASSI {  540}
   (( segid "    " and resid 48   and name HZ2 ))
   (( segid "    " and resid 48   and name HE1 ))
      2.500     0.800     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.95011E-02 ppm1      7.088 ppm2      9.820 CV     1
 ASSI {  541}
   (( segid "    " and resid 48   and name HH2 ))
   (( segid "    " and resid 48   and name HE1 ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.516 ppm2      9.817 CV     1
 ASSI {  543}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      6.000     4.500     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.584 ppm2      1.095 CV     1
 ASSI {  544}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     6.000     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.71952E-05 ppm1      4.690 ppm2      9.839 CV     1
 ASSI {  545}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.41938E-02 ppm1      1.095 ppm2      9.840 CV     1
 ASSI {  546}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.690 ppm2      8.263 CV     1
 ASSI {  547}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.584 ppm2      8.263 CV     1
 ASSI {  548}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.095 ppm2      8.263 CV     1
 ASSI {  549}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
      2.200     0.600     0.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.17933E-01 ppm1      4.992 ppm2      3.692 CV     1
 ASSI {  550}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      2.700     0.900     0.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.61673E-02 ppm1      4.990 ppm2      3.505 CV     1
 ASSI {  551}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.800     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.45432E-02 ppm1      3.695 ppm2      3.233 CV     1
 ASSI {  552}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HB3 ))
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.503 ppm2      3.233 CV     1
 ASSI {  553}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.200     1.200 peak   553 spectrum    1 weight  0.10000E+01 volume  0.28123E-02 ppm1      3.503 ppm2      2.713 CV     1
 ASSI {  554}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.695 ppm2      2.711 CV     1
 ASSI {  555}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.380 ppm2      9.176 CV     1
 ASSI {  556}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.690 ppm2      9.176 CV     1
 ASSI {  557}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.70684E-03 ppm1      3.500 ppm2      9.176 CV     1
 ASSI {  558}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      9.176 CV     1
 OR {  558}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  559}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.800     1.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.81340E-03 ppm1      1.930 ppm2      9.176 CV     1
 ASSI {  560}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.600     0.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.26242E-01 ppm1      4.422 ppm2      7.699 CV     1
 ASSI {  561}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.39402E-03 ppm1      4.273 ppm2      7.699 CV     1
 ASSI {  562}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   562 spectrum    1 weight  0.10000E+01 volume  0.19917E-02 ppm1      3.746 ppm2      7.699 CV     1
 ASSI {  563}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.84732E-03 ppm1      3.315 ppm2      9.099 CV     1
 ASSI {  564}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.23867E-02 ppm1      3.506 ppm2      9.098 CV     1
 ASSI {  565}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   565 spectrum    1 weight  0.10000E+01 volume  0.20561E-01 ppm1      5.712 ppm2      9.098 CV     1
 ASSI {  566}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 31   and name HD% )
      2.000     0.500     0.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.33937E-01 ppm1      6.877 ppm2      7.085 CV     1
 ASSI {  567}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      3.000     1.100     1.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.30720E-02 ppm1      5.531 ppm2      7.086 CV     1
 ASSI {  568}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      3.900     1.900     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.59412E-03 ppm1      5.529 ppm2      6.869 CV     1
 ASSI {  569}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      4.900     3.000     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.16892E-03 ppm1      2.970 ppm2      6.866 CV     1
 ASSI {  570}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      2.200     0.600     0.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.17957E-01 ppm1      2.967 ppm2      7.087 CV     1
 ASSI {  571}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
      6.000     4.500     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.414 ppm2      6.867 CV     1
 ASSI {  572}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      2.400     0.700     0.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.11197E-01 ppm1      2.416 ppm2      7.086 CV     1
 ASSI {  573}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.695 ppm2      9.100 CV     1
 ASSI {  574}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.692 ppm2      9.173 CV     1
 ASSI {  575}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.21366E-01 ppm1      8.264 ppm2      9.837 CV     1
 ASSI {  576}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17001E-02 ppm1      2.970 ppm2      8.743 CV     1
 ASSI {  577}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.94497E-03 ppm1      2.418 ppm2      8.743 CV     1
 ASSI {  578}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     0.600     0.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.21181E-01 ppm1      5.525 ppm2      8.742 CV     1
 ASSI {  579}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      9.097 ppm2      8.744 CV     1
 ASSI {  580}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      2.669 CV     1
 ASSI {  581}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.378 ppm2      7.459 CV     1
 ASSI {  582}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.830 ppm2      7.458 CV     1
 ASSI {  583}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.830 ppm2      7.383 CV     1
 ASSI {  584}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.200     1.300     1.300 peak   584 spectrum    1 weight  0.10000E+01 volume  0.22487E-02 ppm1      2.667 ppm2      7.458 CV     1
 ASSI {  585}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HE1 ))
      3.300     1.400     1.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16360E-02 ppm1      2.667 ppm2      7.383 CV     1
 ASSI {  586}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.275 ppm2      7.383 CV     1
 ASSI {  587}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD2 ))
      5.800     4.200     0.200 peak   587 spectrum    1 weight  0.10000E+01 volume  0.58247E-04 ppm1      3.278 ppm2      7.458 CV     1
 ASSI {  588}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.457 ppm2      8.744 CV     1
 ASSI {  589}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.383 ppm2      8.744 CV     1
 ASSI {  590}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.668 ppm2      9.207 CV     1
 ASSI {  591}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      9.207 CV     1
 ASSI {  592}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.828 ppm2      9.207 CV     1
 ASSI {  595}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.745 ppm2      9.206 CV     1
 ASSI {  596}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG13))
      3.100     1.200     1.200 peak   596 spectrum    1 weight  0.10000E+01 volume  0.24227E-02 ppm1      3.791 ppm2      1.396 CV     1
 ASSI {  597}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      4.700     2.700     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.21311E-03 ppm1      3.791 ppm2      1.178 CV     1
 ASSI {  598}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      5.500     3.700     0.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.83601E-04 ppm1      0.582 ppm2      9.208 CV     1
 ASSI {  599}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.600     0.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.17299E-01 ppm1      0.789 ppm2      9.208 CV     1
 ASSI {  600}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12328E-01 ppm1      1.179 ppm2      9.208 CV     1
 ASSI {  601}
   (( segid "    " and resid 33   and name HG13))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   601 spectrum    1 weight  0.10000E+01 volume  0.33019E-02 ppm1      1.395 ppm2      9.206 CV     1
 ASSI {  602}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.100     1.100 peak   602 spectrum    1 weight  0.10000E+01 volume  0.34674E-02 ppm1      1.851 ppm2      9.208 CV     1
 ASSI {  603}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.790 ppm2      7.114 CV     1
 ASSI {  604}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.584 ppm2      7.114 CV     1
 ASSI {  605}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      7.114 CV     1
 ASSI {  606}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.175 ppm2      7.114 CV     1
 ASSI {  607}
   (( segid "    " and resid 33   and name HG13))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.393 ppm2      7.114 CV     1
 ASSI {  608}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.500     1.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.28952E-03 ppm1      1.853 ppm2      7.113 CV     1
 ASSI {  609}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.600     2.600     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.24464E-03 ppm1      7.108 ppm2      9.209 CV     1
 ASSI {  610}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.085 ppm2      7.352 CV     1
 ASSI {  611}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.381 ppm2      7.352 CV     1
 ASSI {  612}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.36935E-03 ppm1      4.690 ppm2      7.353 CV     1
 ASSI {  613}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15377E-02 ppm1      7.114 ppm2      7.353 CV     1
 ASSI {  614}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.220 ppm2      2.881 CV     1
 ASSI {  615}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.213 ppm2      6.661 CV     1
 ASSI {  616}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      4.700     2.800     1.300 peak   616 spectrum    1 weight  0.10000E+01 volume  0.20935E-03 ppm1      2.873 ppm2      6.660 CV     1
 ASSI {  617}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      4.900     3.000     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.15966E-03 ppm1      4.399 ppm2      6.660 CV     1
 ASSI {  618}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.10334E-01 ppm1      6.661 ppm2      7.352 CV     1
 ASSI {  619}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      5.500     3.800     0.500 peak   619 spectrum    1 weight  0.10000E+01 volume  0.81545E-04 ppm1      0.527 ppm2      6.662 CV     1
 ASSI {  620}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      0.795 ppm2      6.662 CV     1
 ASSI {  621}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.18666E-01 ppm1      4.139 ppm2      7.951 CV     1
 ASSI {  622}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.728 ppm2      7.951 CV     1
 ASSI {  623}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.39882E-02 ppm1      1.441 ppm2      7.951 CV     1
 OR {  623}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  624}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.66024E-03 ppm1      0.798 ppm2      7.951 CV     1
 ASSI {  625}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.37792E-03 ppm1      0.532 ppm2      7.951 CV     1
 ASSI {  626}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      1.755 CV     1
 ASSI {  628}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      1.667 CV     1
 ASSI {  629}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.196 ppm2      1.757 CV     1
 ASSI {  630}
   (( segid "    " and resid 37   and name HD3 ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      1.669 CV     1
 ASSI {  631}
   (( segid "    " and resid 37   and name HD3 ))
   (( segid "    " and resid 37   and name HG3 ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      1.504 CV     1
 OR {  631}
   (( segid "    " and resid 37   and name HD3 ))
   (( segid "    " and resid 37   and name HG2 ))
 ASSI {  632}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.196 ppm2      1.669 CV     1
 ASSI {  633}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HG2 ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.196 ppm2      1.504 CV     1
 OR {  633}
   (( segid "    " and resid 37   and name HD2 ))
   (( segid "    " and resid 37   and name HG3 ))
 ASSI {  634}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HG2 ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.758 ppm2      1.502 CV     1
 OR {  634}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HG3 ))
 ASSI {  635}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.88227E-03 ppm1      6.663 ppm2      7.951 CV     1
 ASSI {  636}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      1.891 CV     1
 ASSI {  637}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HD2 ))
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      3.505 CV     1
 ASSI {  638}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.516 ppm2      3.602 CV     1
 ASSI {  639}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.516 ppm2      3.505 CV     1
 ASSI {  640}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.600     0.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.16151E-01 ppm1      4.622 ppm2      8.241 CV     1
 ASSI {  641}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.595 ppm2      8.241 CV     1
 ASSI {  642}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.16761E-02 ppm1      2.410 ppm2      8.242 CV     1
 ASSI {  643}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.500     1.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      2.085 ppm2      8.241 CV     1
 ASSI {  644}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.896 ppm2      8.244 CV     1
 OR {  644}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  645}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.000     0.500     0.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.40327E-01 ppm1      4.049 ppm2      7.465 CV     1
 ASSI {  646}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      2.300     0.700     0.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.13719E-01 ppm1      1.252 ppm2      7.465 CV     1
 ASSI {  647}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.62016E-03 ppm1      7.466 ppm2      8.239 CV     1
 ASSI {  648}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.58898E-02 ppm1      4.414 ppm2      8.500 CV     1
 ASSI {  649}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.463 ppm2      8.501 CV     1
 ASSI {  650}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      8.501 CV     1
 ASSI {  651}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.62358E-03 ppm1      1.532 ppm2      8.501 CV     1
 ASSI {  652}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.600     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      1.400 ppm2      8.501 CV     1
 ASSI {  653}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      8.501 CV     1
 ASSI {  654}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.740 ppm2      8.501 CV     1
 ASSI {  655}
   (  segid "    " and resid 41   and name HE% )
   (  segid "    " and resid 41   and name HD% )
      2.000     0.500     0.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.37586E-01 ppm1      6.795 ppm2      7.107 CV     1
 ASSI {  656}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 41   and name HD% )
      6.000     4.500     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.157 ppm2      7.106 CV     1
 ASSI {  657}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 41   and name HD% )
      2.700     0.900     0.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.61947E-02 ppm1      2.813 ppm2      7.105 CV     1
 ASSI {  658}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 41   and name HE% )
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.812 ppm2      6.792 CV     1
 ASSI {  659}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 41   and name HE% )
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.155 ppm2      6.793 CV     1
 ASSI {  660}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HD% )
      2.900     1.000     1.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.41869E-02 ppm1      4.492 ppm2      7.107 CV     1
 ASSI {  661}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HE% )
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.490 ppm2      6.794 CV     1
 ASSI {  662}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.500     1.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14339E-02 ppm1      7.416 ppm2      8.503 CV     1
 ASSI {  663}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.490 ppm2      7.418 CV     1
 ASSI {  664}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.61707E-03 ppm1      3.161 ppm2      7.418 CV     1
 ASSI {  665}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.700     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.41458E-04 ppm1      2.810 ppm2      7.418 CV     1
 ASSI {  666}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      8.601 CV     1
 ASSI {  667}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.415 ppm2      8.604 CV     1
 ASSI {  668}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.700     1.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.96827E-03 ppm1      2.083 ppm2      8.606 CV     1
 OR {  668}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  669}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      8.604 CV     1
 ASSI {  670}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.822 ppm2      8.604 CV     1
 ASSI {  671}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      2.500     0.800     0.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.81957E-02 ppm1      3.868 ppm2      3.355 CV     1
 ASSI {  672}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD3 ))
      2.300     0.600     0.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.16748E-01 ppm1      3.872 ppm2      3.626 CV     1
 ASSI {  673}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 43   and name HG2%)
      2.300     0.600     0.600 peak   673 spectrum    1 weight  0.10000E+01 volume  0.16549E-01 ppm1      3.352 ppm2      0.898 CV     1
 OR {  673}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  674}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 43   and name HG2%)
      2.600     0.900     0.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.71404E-02 ppm1      3.630 ppm2      0.900 CV     1
 OR {  674}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI {  675}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.55266E-02 ppm1      4.416 ppm2      8.445 CV     1
 ASSI {  676}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.600     1.500 peak   676 spectrum    1 weight  0.10000E+01 volume  0.26280E-03 ppm1      1.922 ppm2      8.447 CV     1
 ASSI {  677}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      8.445 CV     1
 ASSI {  678}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.44405E-02 ppm1      4.647 ppm2      8.038 CV     1
 ASSI {  679}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.637 ppm2      8.038 CV     1
 ASSI {  680}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      8.038 CV     1
 ASSI {  681}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HN  ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.20996E-01 ppm1      3.993 ppm2      8.373 CV     1
 OR {  681}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.038 ppm2      8.376 CV     1
 ASSI {  683}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.380 ppm2      9.111 CV     1
 ASSI {  686}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.200     1.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.40499E-03 ppm1      2.276 ppm2      9.122 CV     1
 ASSI {  687}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE1 ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.028 ppm2      9.820 CV     1
 ASSI {  691}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE3 ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.511 ppm2      7.318 CV     1
 ASSI {  692}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HE3 ))
      6.000     4.500     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.213 ppm2      7.318 CV     1
 ASSI {  693}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE3 ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.033 ppm2      7.318 CV     1
 ASSI {  694}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.67875E-03 ppm1      6.966 ppm2      9.120 CV     1
 ASSI {  695}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.000     0.500     0.500 peak   695 spectrum    1 weight  0.10000E+01 volume  0.34160E-01 ppm1      4.504 ppm2      6.963 CV     1
 ASSI {  696}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.700     1.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.97512E-03 ppm1      3.211 ppm2      6.962 CV     1
 ASSI {  697}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     6.000     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.17131E-05 ppm1      3.033 ppm2      6.962 CV     1
 ASSI {  698}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HG2 ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.296 ppm2      2.092 CV     1
 ASSI {  699}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.000     0.500     0.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.30871E-01 ppm1      5.006 ppm2      9.224 CV     1
 ASSI {  700}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.89152E-03 ppm1      2.094 ppm2      9.226 CV     1
 ASSI {  701}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.296 ppm2      9.226 CV     1
 ASSI {  702}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      1.453 ppm2      9.226 CV     1
 OR {  702}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  703}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.10060E-02 ppm1      6.971 ppm2      9.224 CV     1
 ASSI {  705}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.94017E-02 ppm1      2.384 ppm2      9.223 CV     1
 OR {  705}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  707}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      2.386 CV     1
 OR {  707}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  709}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      2.700     0.900     0.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.52936E-02 ppm1      3.532 ppm2      3.121 CV     1
 ASSI {  710}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HD3 ))
      6.000     4.500     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      3.357 CV     1
 ASSI {  711}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     6.000     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.17817E-04 ppm1      4.226 ppm2      8.290 CV     1
 ASSI {  712}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.372 ppm2      8.290 CV     1
 ASSI {  713}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     6.000     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.54820E-05 ppm1      3.119 ppm2      8.290 CV     1
 ASSI {  714}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      8.293 CV     1
 OR {  714}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  715}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.920 ppm2      8.291 CV     1
 OR {  715}
   (( segid "    " and resid 51   and name HG3 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  716}
   (( segid "    " and resid 49   and name HE22))
   (( segid "    " and resid 49   and name HE21))
      1.700     0.400     0.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.87541E-01 ppm1      6.683 ppm2      7.737 CV     1
 ASSI {  717}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HE21))
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.010 ppm2      7.738 CV     1
 ASSI {  718}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HE21))
      3.200     1.200     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.22600E-02 ppm1      2.302 ppm2      7.738 CV     1
 ASSI {  719}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HE21))
      3.400     1.400     1.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.15723E-02 ppm1      2.094 ppm2      7.737 CV     1
 ASSI {  720}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HE21))
      5.800     4.300     0.200 peak   720 spectrum    1 weight  0.10000E+01 volume  0.56876E-04 ppm1      1.453 ppm2      7.737 CV     1
 OR {  720}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HE21))
 ASSI {  721}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HE22))
      6.000     4.500     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      6.682 CV     1
 OR {  721}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HE22))
 ASSI {  722}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HE22))
      4.000     2.000     2.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.53518E-03 ppm1      2.097 ppm2      6.681 CV     1
 ASSI {  723}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HE22))
      3.900     1.900     1.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.68251E-03 ppm1      2.297 ppm2      6.680 CV     1
 ASSI {  724}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HE22))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.994 ppm2      6.679 CV     1
 ASSI {  725}
   (  segid "    " and resid 14   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.56534E-02 ppm1      1.123 ppm2      8.068 CV     1
 ASSI {  726}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.200     1.200 peak   726 spectrum    1 weight  0.10000E+01 volume  0.22891E-02 ppm1      1.289 ppm2      8.068 CV     1
 ASSI {  727}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   727 spectrum    1 weight  0.10000E+01 volume  0.18814E-01 ppm1      2.295 ppm2      8.070 CV     1
 ASSI {  728}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.58658E-03 ppm1      3.996 ppm2      8.070 CV     1
 ASSI {  729}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.11475E-01 ppm1      8.068 ppm2      8.840 CV     1
 ASSI {  730}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   730 spectrum    1 weight  0.10000E+01 volume  0.14551E-01 ppm1      7.938 ppm2      8.291 CV     1
 ASSI {  731}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      7.935 CV     1
 ASSI {  733}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.678 ppm2      7.936 CV     1
 ASSI {  734}
   (( segid "    " and resid 52   and name HG3 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.790 ppm2      7.936 CV     1
 ASSI {  735}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.893 ppm2      7.936 CV     1
 ASSI {  736}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.939 ppm2      7.937 CV     1
 ASSI {  737}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.900     1.200 peak   737 spectrum    1 weight  0.10000E+01 volume  0.18982E-03 ppm1      3.984 ppm2      7.650 CV     1
 ASSI {  738}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak   738 spectrum    1 weight  0.10000E+01 volume  0.25368E-02 ppm1      2.753 ppm2      7.650 CV     1
 OR {  738}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  740}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.085 ppm2      0.933 CV     1
 ASSI {  741}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.084 ppm2      7.649 CV     1
 ASSI {  742}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.79078E-02 ppm1      7.653 ppm2      7.935 CV     1
 ASSI {  743}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.981 ppm2      8.161 CV     1
 ASSI {  744}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.367 ppm2      8.161 CV     1
 ASSI {  745}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      5.200     3.400     0.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.10998E-03 ppm1      4.916 ppm2      8.161 CV     1
 ASSI {  746}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.45912E-02 ppm1      8.069 ppm2      8.161 CV     1
 ASSI {  747}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.823 ppm2      8.585 CV     1
 ASSI {  748}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.76132E-03 ppm1      2.207 ppm2      8.585 CV     1
 ASSI {  749}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   749 spectrum    1 weight  0.10000E+01 volume  0.21640E-02 ppm1      4.164 ppm2      8.585 CV     1
 ASSI {  750}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.66949E-02 ppm1      8.163 ppm2      8.585 CV     1
 ASSI {  751}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.984 ppm2      8.571 CV     1
 ASSI {  752}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      8.572 CV     1
 ASSI {  753}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.290 ppm2      8.571 CV     1
 ASSI {  754}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.465 ppm2      8.573 CV     1
 ASSI {  757}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     3.000     1.100 peak   757 spectrum    1 weight  0.10000E+01 volume  0.16994E-03 ppm1      8.584 ppm2      8.281 CV     1
 ASSI {  762}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.71575E-03 ppm1      3.899 ppm2      8.840 CV     1
 ASSI {  763}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.13554E-02 ppm1      1.420 ppm2      8.840 CV     1
 OR {  763}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  764}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.615 ppm2      8.842 CV     1
 ASSI {  765}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.706 ppm2      8.842 CV     1
 ASSI {  766}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      1.423 CV     1
 OR {  766}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  767}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      8.671 CV     1
 ASSI {  768}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.616 ppm2      8.671 CV     1
 ASSI {  769}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   769 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      8.671 ppm2      8.839 CV     1
 ASSI {  770}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.806 ppm2      2.716 CV     1
 ASSI {  771}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   771 spectrum    1 weight  0.10000E+01 volume  0.10430E-02 ppm1      4.863 ppm2      9.839 CV     1
 ASSI {  772}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.801 ppm2      9.839 CV     1
 ASSI {  773}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.713 ppm2      9.840 CV     1
 ASSI {  774}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.48893E-02 ppm1      9.075 ppm2      9.839 CV     1
 ASSI {  775}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.88466E-03 ppm1      8.463 ppm2      9.106 CV     1
 ASSI {  776}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.600     0.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.17275E-01 ppm1      4.342 ppm2      8.462 CV     1
 ASSI {  777}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.456 ppm2      8.462 CV     1
 ASSI {  779}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      8.462 CV     1
 ASSI {  780}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      5.200     3.400     0.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.11067E-03 ppm1      0.901 ppm2      8.462 CV     1
 ASSI {  781}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.15980E-02 ppm1      1.121 ppm2      8.462 CV     1
 ASSI {  782}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.028 ppm2      9.109 CV     1
 ASSI {  783}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.426 ppm2      0.920 CV     1
 ASSI {  784}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak   784 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      1.419 ppm2      9.111 CV     1
 ASSI {  785}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      5.100     3.200     0.900 peak   785 spectrum    1 weight  0.10000E+01 volume  0.13397E-03 ppm1      1.216 ppm2      9.111 CV     1
 ASSI {  786}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.90454E-03 ppm1      0.395 ppm2      9.109 CV     1
 ASSI {  787}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.38751E-02 ppm1     -0.163 ppm2      9.111 CV     1
 ASSI {  788}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.916 ppm2      9.109 CV     1
 ASSI {  789}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.250 ppm2      8.774 CV     1
 ASSI {  790}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11622E-01 ppm1      4.199 ppm2      8.034 CV     1
 ASSI {  791}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.248 ppm2      8.036 CV     1
 ASSI {  792}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.196 ppm2      8.036 CV     1
 ASSI {  793}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.062 ppm2      8.034 CV     1
 ASSI {  794}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      8.034 CV     1
 ASSI {  795}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.227 ppm2      1.813 CV     1
 ASSI {  796}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB3 ))
      6.000     4.500     0.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.227 ppm2      2.059 CV     1
 ASSI {  797}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HG2 ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.227 ppm2      2.110 CV     1
 ASSI {  798}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   798 spectrum    1 weight  0.10000E+01 volume  0.67737E-02 ppm1      4.109 ppm2      6.790 CV     1
 ASSI {  799}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      6.791 CV     1
 ASSI {  800}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      6.790 CV     1
 ASSI {  801}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      6.790 CV     1
 ASSI {  802}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      6.788 CV     1
 ASSI {  803}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.77811E-03 ppm1      6.792 ppm2      8.798 CV     1
 ASSI {  804}
   (  segid "    " and resid 11   and name HD% )
   (  segid "    " and resid 11   and name HE% )
      1.900     0.400     0.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.52593E-01 ppm1      6.919 ppm2      7.275 CV     1
 ASSI {  805}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HE% )
      6.000     4.500     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      7.277 CV     1
 ASSI {  806}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.300     1.400     1.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.17587E-02 ppm1      4.453 ppm2      6.915 CV     1
 ASSI {  807}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      2.300     0.700     0.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.13828E-01 ppm1      2.446 ppm2      6.917 CV     1
 ASSI {  808}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 11   and name HD% )
      2.300     0.700     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.14010E-01 ppm1      2.697 ppm2      6.917 CV     1
 ASSI {  809}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      4.200     2.200     1.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.39162E-03 ppm1      2.449 ppm2      7.277 CV     1
 ASSI {  810}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 11   and name HE% )
      3.900     1.900     1.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.60440E-03 ppm1      2.697 ppm2      7.277 CV     1
 ASSI {  811}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HE% )
      4.900     3.000     1.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.16138E-03 ppm1      6.787 ppm2      7.275 CV     1
 ASSI {  812}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.875 ppm2      8.671 CV     1
 ASSI {  813}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.54135E-03 ppm1      3.330 ppm2      8.669 CV     1
 ASSI {  814}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.453 ppm2      8.280 CV     1
 ASSI {  815}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.38443E-02 ppm1      2.444 ppm2      8.280 CV     1
 ASSI {  816}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.697 ppm2      8.280 CV     1
 ASSI {  817}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.715 ppm2      8.794 CV     1
 ASSI {  818}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      8.794 CV     1
 ASSI {  819}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      8.796 CV     1
 ASSI {  820}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   820 spectrum    1 weight  0.10000E+01 volume  0.33862E-02 ppm1      4.196 ppm2      8.794 CV     1
 ASSI {  821}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.715 ppm2      8.643 CV     1
 ASSI {  822}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.100     1.200     1.200 peak   822 spectrum    1 weight  0.10000E+01 volume  0.23957E-02 ppm1      4.594 ppm2      3.164 CV     1
 ASSI {  823}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.800     1.800     1.800 peak   823 spectrum    1 weight  0.10000E+01 volume  0.71541E-03 ppm1      4.594 ppm2      2.836 CV     1
 ASSI {  824}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.163 ppm2      2.833 CV     1
 ASSI {  825}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.597 ppm2      8.641 CV     1
 ASSI {  826}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.160 ppm2      8.641 CV     1
 ASSI {  827}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.839 ppm2      8.641 CV     1
 ASSI {  829}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.400     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.14431E-02 ppm1      4.560 ppm2      2.697 CV     1
 ASSI {  830}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.700     1.700     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.86239E-03 ppm1      4.560 ppm2      3.869 CV     1
 ASSI {  831}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.83019E-02 ppm1      2.696 ppm2      8.662 CV     1
 ASSI {  832}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      8.662 CV     1
 ASSI {  833}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.17916E-01 ppm1      4.560 ppm2      9.079 CV     1
 ASSI {  834}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      9.079 CV     1
 ASSI {  835}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.699 ppm2      9.079 CV     1
 ASSI {  836}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.664 ppm2      9.079 CV     1
 ASSI {  837}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.830 ppm2      8.662 CV     1
 ASSI {  838}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.88261E-03 ppm1      2.282 ppm2      8.662 CV     1
 ASSI {  839}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.770 ppm2      8.662 CV     1
 ASSI {  840}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.500     1.500 peak   840 spectrum    1 weight  0.10000E+01 volume  0.13177E-02 ppm1      8.463 ppm2      8.662 CV     1
 ASSI {  841}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.557 ppm2      8.623 CV     1
 ASSI {  842}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.47557E-03 ppm1      3.663 ppm2      8.624 CV     1
 ASSI {  843}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.78359E-03 ppm1      4.557 ppm2      8.774 CV     1
 ASSI {  844}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.59446E-03 ppm1      3.663 ppm2      8.774 CV     1
 ASSI {  845}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.889 ppm2      8.623 CV     1
 ASSI {  846}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.468 ppm2      8.623 CV     1
 ASSI {  847}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      6.000     4.500     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      7.067 CV     1
 ASSI {  848}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HD2 ))
      6.000     4.500     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.380 ppm2      7.067 CV     1
 ASSI {  849}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HD2 ))
      6.000     4.500     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.690 ppm2      7.067 CV     1
 ASSI {  850}
   (( segid "    " and resid 7    and name HE1 ))
   (( segid "    " and resid 7    and name HD2 ))
      6.000     4.500     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.807 ppm2      7.285 CV     1
 ASSI {  851}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      4.100     2.100     1.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.45535E-03 ppm1      4.594 ppm2      7.279 CV     1
 ASSI {  852}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HE1 ))
      4.000     2.000     2.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.53484E-03 ppm1      4.600 ppm2      6.805 CV     1
 ASSI {  854}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HD2 ))
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.023 ppm2      7.279 CV     1
 OR {  854}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  855}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.386 ppm2      9.122 CV     1
 ASSI {  856}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      8.352 CV     1
 ASSI {  857}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.386 ppm2      8.352 CV     1
 ASSI {  858}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.462 ppm2      8.353 CV     1
 ASSI {  859}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.294 ppm2      8.353 CV     1
 ASSI {  860}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.987 ppm2      8.353 CV     1
 ASSI {  861}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.950 ppm2      8.352 CV     1
 ASSI {  862}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.926 ppm2      8.353 CV     1
 ASSI {  863}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.242 ppm2      7.640 CV     1
 ASSI {  864}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.75926E-03 ppm1      2.928 ppm2      7.639 CV     1
 OR {  864}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  867}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      8.044 CV     1
 ASSI {  868}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.385 ppm2      8.042 CV     1
 ASSI {  869}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.39608E-02 ppm1      7.088 ppm2      9.099 CV     1
 ASSI {  870}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak   870 spectrum    1 weight  0.10000E+01 volume  0.76646E-03 ppm1      7.318 ppm2      9.081 CV     1
 ASSI {  872}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.50024E-03 ppm1      5.001 ppm2      9.077 CV     1
 ASSI {  873}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.600     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.11314E-02 ppm1      3.864 ppm2      9.841 CV     1
 ASSI {  874}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   874 spectrum    1 weight  0.10000E+01 volume  0.78633E-03 ppm1      3.866 ppm2      9.174 CV     1
 ASSI {  876}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.94257E-03 ppm1      2.798 ppm2      9.123 CV     1
 ASSI {  879}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 48   and name HE1 ))
      3.300     1.400     1.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.16422E-02 ppm1      1.759 ppm2      9.820 CV     1
 OR {  879}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 48   and name HE1 ))
 ASSI {  880}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 48   and name HE1 ))
      2.900     1.100     1.100 peak   880 spectrum    1 weight  0.10000E+01 volume  0.35530E-02 ppm1      0.797 ppm2      9.820 CV     1
 ASSI {  881}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.33266E-02 ppm1      0.737 ppm2      9.820 CV     1
 ASSI {  882}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      3.700     1.700     1.700 peak   882 spectrum    1 weight  0.10000E+01 volume  0.93640E-03 ppm1      0.527 ppm2      9.822 CV     1
 ASSI {  883}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      3.600     1.600     1.600 peak   883 spectrum    1 weight  0.10000E+01 volume  0.98094E-03 ppm1     -0.456 ppm2      9.818 CV     1
 ASSI {  884}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.98163E-03 ppm1     -0.159 ppm2      8.744 CV     1
 ASSI {  885}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.75755E-03 ppm1     -0.159 ppm2      8.669 CV     1
 ASSI {  886}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.31744E-02 ppm1     -0.157 ppm2      8.280 CV     1
 ASSI {  887}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      5.400     3.700     0.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.88055E-04 ppm1      0.408 ppm2      8.279 CV     1
 ASSI {  888}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.85657E-03 ppm1      0.584 ppm2      8.607 CV     1
 ASSI {  889}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.11101E-02 ppm1      2.393 ppm2      8.665 CV     1
 OR {  889}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  890}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.800     2.800     1.200 peak   890 spectrum    1 weight  0.10000E+01 volume  0.19530E-03 ppm1      1.837 ppm2      8.742 CV     1
 ASSI {  891}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   891 spectrum    1 weight  0.10000E+01 volume  0.24546E-02 ppm1      2.884 ppm2      8.743 CV     1
 ASSI {  894}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      3.334 ppm2      8.160 CV     1
 ASSI {  895}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.31796E-03 ppm1      3.222 ppm2      8.071 CV     1
 ASSI {  898}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak   898 spectrum    1 weight  0.10000E+01 volume  0.17210E-02 ppm1      5.527 ppm2      8.671 CV     1
 ASSI {  899}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.32241E-03 ppm1      5.712 ppm2      8.665 CV     1
 ASSI {  900}
   (( segid "    " and resid 48   and name HZ3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.38203E-03 ppm1      6.639 ppm2      8.664 CV     1
 ASSI {  901}
   (  segid "    " and resid 31   and name HE% )
   (( segid "    " and resid 13   and name HN  ))
      5.100     3.300     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.12574E-03 ppm1      6.877 ppm2      8.668 CV     1
 ASSI {  903}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.78359E-03 ppm1      7.093 ppm2      8.742 CV     1
 ASSI {  904}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.75584E-03 ppm1      7.093 ppm2      8.839 CV     1
 ASSI {  905}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak   905 spectrum    1 weight  0.10000E+01 volume  0.99807E-03 ppm1      7.088 ppm2      8.667 CV     1
 ASSI {  906}
   (  segid "    " and resid 41   and name HD% )
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak   906 spectrum    1 weight  0.10000E+01 volume  0.13328E-02 ppm1      7.097 ppm2      8.497 CV     1
 ASSI {  907}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      5.800     4.200     0.200 peak   907 spectrum    1 weight  0.10000E+01 volume  0.57904E-04 ppm1      6.912 ppm2      8.279 CV     1
 ASSI {  908}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.600     1.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      7.382 ppm2      8.281 CV     1
 ASSI {  909}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak   909 spectrum    1 weight  0.10000E+01 volume  0.16710E-02 ppm1      6.915 ppm2      8.159 CV     1
 ASSI {  910}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.200     1.200 peak   910 spectrum    1 weight  0.10000E+01 volume  0.28633E-02 ppm1      7.382 ppm2      8.583 CV     1
 ASSI {  911}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      5.700     4.000     0.300 peak   911 spectrum    1 weight  0.10000E+01 volume  0.68183E-04 ppm1      8.281 ppm2      8.586 CV     1
 ASSI {  912}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.18502E-04 ppm1      8.168 ppm2      8.841 CV     1
 ASSI {  913}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      3.800     1.800     1.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.78907E-03 ppm1      5.286 ppm2      7.381 CV     1
 ASSI {  915}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 48   and name HE3 ))
      2.600     0.900     0.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.68834E-02 ppm1      4.554 ppm2      7.316 CV     1
 ASSI {  917}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 11   and name HE% )
      3.600     1.600     1.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      4.170 ppm2      7.277 CV     1
 ASSI {  918}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 11   and name HE% )
      3.300     1.400     1.400 peak   918 spectrum    1 weight  0.10000E+01 volume  0.17272E-02 ppm1      3.901 ppm2      7.272 CV     1
 ASSI {  919}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.600     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10765E-02 ppm1      3.790 ppm2      7.353 CV     1
 ASSI {  920}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      3.793 ppm2      7.467 CV     1
 ASSI {  921}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.100     2.100     1.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.49167E-03 ppm1      4.168 ppm2      8.071 CV     1
 ASSI {  922}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      4.300     2.300     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.37209E-03 ppm1      4.223 ppm2      7.650 CV     1
 ASSI {  923}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 49   and name HE21))
      4.300     2.300     1.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.34091E-03 ppm1      2.757 ppm2      7.737 CV     1
 OR {  923}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 49   and name HE21))
 ASSI {  924}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   924 spectrum    1 weight  0.10000E+01 volume  0.27616E-03 ppm1      2.588 ppm2      7.694 CV     1
 ASSI {  925}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.36353E-03 ppm1      2.664 ppm2      7.352 CV     1
 ASSI {  926}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.35051E-03 ppm1      2.843 ppm2      7.279 CV     1
 ASSI {  927}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.50229E-03 ppm1      1.708 ppm2      7.696 CV     1
 ASSI {  928}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 49   and name HE21))
      2.700     0.900     0.900 peak   928 spectrum    1 weight  0.10000E+01 volume  0.53964E-02 ppm1      1.092 ppm2      7.734 CV     1
 ASSI {  929}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.27753E-03 ppm1      1.840 ppm2      8.070 CV     1
 ASSI {  930}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   930 spectrum    1 weight  0.10000E+01 volume  0.22387E-02 ppm1      1.525 ppm2      7.419 CV     1
 ASSI {  931}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.32241E-03 ppm1      1.629 ppm2      7.421 CV     1
 ASSI {  932}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.800     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.38717E-04 ppm1      1.393 ppm2      7.418 CV     1
 ASSI {  933}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      4.100     2.100     1.900 peak   933 spectrum    1 weight  0.10000E+01 volume  0.45227E-03 ppm1      1.724 ppm2      7.350 CV     1
 ASSI {  934}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     5.900     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.21243E-04 ppm1      1.740 ppm2      7.466 CV     1
 ASSI {  935}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      4.100     2.100     1.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.44610E-03 ppm1      1.858 ppm2      7.464 CV     1
 ASSI {  937}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 11   and name HE% )
      3.100     1.200     1.200 peak   937 spectrum    1 weight  0.10000E+01 volume  0.23963E-02 ppm1      2.001 ppm2      7.275 CV     1
 ASSI {  938}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 48   and name HD1 ))
      3.000     1.100     1.100 peak   938 spectrum    1 weight  0.10000E+01 volume  0.33574E-02 ppm1      1.756 ppm2      7.283 CV     1
 OR {  938}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI {  939}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 11   and name HE% )
      3.900     1.900     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.62016E-03 ppm1      1.623 ppm2      7.273 CV     1
 ASSI {  940}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 11   and name HE% )
      3.800     1.800     1.800 peak   940 spectrum    1 weight  0.10000E+01 volume  0.71164E-03 ppm1      1.483 ppm2      7.274 CV     1
 ASSI {  943}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 48   and name HE3 ))
      3.500     1.600     1.600 peak   943 spectrum    1 weight  0.10000E+01 volume  0.11276E-02 ppm1      0.811 ppm2      7.316 CV     1
 ASSI {  944}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HE3 ))
      4.800     2.900     1.200 peak   944 spectrum    1 weight  0.10000E+01 volume  0.17885E-03 ppm1      0.288 ppm2      7.316 CV     1
 ASSI {  947}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      4.800     2.800     1.200 peak   947 spectrum    1 weight  0.10000E+01 volume  0.19427E-03 ppm1      0.580 ppm2      7.418 CV     1
 ASSI {  948}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.64654E-03 ppm1      0.790 ppm2      7.419 CV     1
 ASSI {  949}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HE3 ))
      5.300     3.500     0.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.10484E-03 ppm1     -0.454 ppm2      7.317 CV     1
 ASSI {  950}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HD1 ))
      4.300     2.400     1.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.33509E-03 ppm1     -0.454 ppm2      7.284 CV     1
 ASSI {  951}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HZ2 ))
      5.200     3.400     0.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.11581E-03 ppm1     -0.458 ppm2      7.088 CV     1
 ASSI {  952}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HZ3 ))
      3.700     1.700     1.700 peak   952 spectrum    1 weight  0.10000E+01 volume  0.82333E-03 ppm1     -0.456 ppm2      6.633 CV     1
 ASSI {  953}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 48   and name HH2 ))
      4.200     2.200     1.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.41013E-03 ppm1     -0.456 ppm2      6.515 CV     1
 ASSI {  958}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HZ2 ))
      3.900     1.900     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.59926E-03 ppm1      0.290 ppm2      7.087 CV     1
 ASSI {  959}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 48   and name HZ2 ))
      2.100     0.500     0.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.26492E-01 ppm1      0.529 ppm2      7.087 CV     1
 ASSI {  960}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 48   and name HZ2 ))
      2.200     0.600     0.600 peak   960 spectrum    1 weight  0.10000E+01 volume  0.22637E-01 ppm1      0.797 ppm2      7.087 CV     1
 ASSI {  961}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 31   and name HE% )
      3.200     1.300     1.300 peak   961 spectrum    1 weight  0.10000E+01 volume  0.20890E-02 ppm1      0.536 ppm2      6.868 CV     1
 ASSI {  962}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.99499E-03 ppm1      0.397 ppm2      6.789 CV     1
 ASSI {  963}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 48   and name HH2 ))
      2.600     0.800     0.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.78565E-02 ppm1      0.526 ppm2      6.509 CV     1
 ASSI {  964}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 48   and name HH2 ))
      3.200     1.300     1.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.20403E-02 ppm1      0.794 ppm2      6.511 CV     1
 ASSI {  965}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 49   and name HE22))
      3.100     1.200     1.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.27965E-02 ppm1      1.091 ppm2      6.680 CV     1
 ASSI {  966}
   (  segid "    " and resid 39   and name HB% )
   (  segid "    " and resid 41   and name HE% )
      3.700     1.700     1.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.91653E-03 ppm1      1.249 ppm2      6.796 CV     1
 ASSI {  967}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak   967 spectrum    1 weight  0.10000E+01 volume  0.17429E-02 ppm1      1.708 ppm2      6.792 CV     1
 ASSI {  968}
   (( segid "    " and resid 13   and name HG3 ))
   (  segid "    " and resid 31   and name HE% )
      3.100     1.200     1.200 peak   968 spectrum    1 weight  0.10000E+01 volume  0.26153E-02 ppm1      1.705 ppm2      6.868 CV     1
 ASSI {  969}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 31   and name HE% )
      4.000     2.000     2.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.54649E-03 ppm1      1.923 ppm2      6.868 CV     1
 OR {  969}
   (( segid "    " and resid 51   and name HG3 ))
   (  segid "    " and resid 31   and name HE% )
 ASSI {  970}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      4.100     2.100     1.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.48036E-03 ppm1      1.425 ppm2      6.868 CV     1
 OR {  970}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
 ASSI {  971}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 31   and name HE% )
      2.200     0.600     0.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.18509E-01 ppm1      1.286 ppm2      6.870 CV     1
 ASSI {  972}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 11   and name HD% )
      3.900     1.900     1.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.63592E-03 ppm1      1.189 ppm2      6.915 CV     1
 ASSI {  973}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.74145E-03 ppm1      1.314 ppm2      6.916 CV     1
 ASSI {  974}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 11   and name HD% )
      4.300     2.300     1.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.36695E-03 ppm1      1.474 ppm2      6.917 CV     1
 ASSI {  975}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.79455E-03 ppm1      1.617 ppm2      6.914 CV     1
 ASSI {  976}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      3.500     1.500     1.500 peak   976 spectrum    1 weight  0.10000E+01 volume  0.12598E-02 ppm1      1.812 ppm2      6.916 CV     1
 ASSI {  977}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 11   and name HD% )
      4.400     2.400     1.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.31967E-03 ppm1      2.002 ppm2      6.917 CV     1
 ASSI {  978}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 11   and name HD% )
      3.900     1.900     1.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.69005E-03 ppm1      2.215 ppm2      6.917 CV     1
 ASSI {  979}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 11   and name HD% )
      4.100     2.100     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.47488E-03 ppm1      2.061 ppm2      6.915 CV     1
 ASSI {  980}
   (( segid "    " and resid 51   and name HG3 ))
   (( segid "    " and resid 48   and name HZ2 ))
      5.300     3.500     0.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.99019E-04 ppm1      1.925 ppm2      7.086 CV     1
 OR {  980}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 48   and name HZ2 ))
 ASSI {  982}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      2.400     0.700     0.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.12444E-01 ppm1      1.282 ppm2      7.088 CV     1
 ASSI {  983}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.900     1.900     1.900 peak   983 spectrum    1 weight  0.10000E+01 volume  0.64585E-03 ppm1      2.387 ppm2      6.635 CV     1
 OR {  983}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 48   and name HZ3 ))
 ASSI {  984}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 48   and name HH2 ))
      3.300     1.300     1.300 peak   984 spectrum    1 weight  0.10000E+01 volume  0.18488E-02 ppm1      2.414 ppm2      6.511 CV     1
 ASSI {  985}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 48   and name HH2 ))
      3.600     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.10803E-02 ppm1      2.975 ppm2      6.514 CV     1
 ASSI {  986}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 48   and name HH2 ))
      4.300     2.300     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.35668E-03 ppm1      3.123 ppm2      6.513 CV     1
 ASSI {  988}
   (( segid "    " and resid 51   and name HD3 ))
   (( segid "    " and resid 48   and name HH2 ))
      3.800     1.800     1.800 peak   988 spectrum    1 weight  0.10000E+01 volume  0.75447E-03 ppm1      3.361 ppm2      6.513 CV     1
 ASSI {  989}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HH2 ))
      3.100     1.200     1.200 peak   989 spectrum    1 weight  0.10000E+01 volume  0.26403E-02 ppm1      3.533 ppm2      6.510 CV     1
 ASSI {  990}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HZ3 ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.58452E-03 ppm1      3.535 ppm2      6.636 CV     1
 ASSI {  992}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 48   and name HZ3 ))
      4.200     2.200     1.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.42691E-03 ppm1      2.692 ppm2      6.638 CV     1
 ASSI {  993}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 49   and name HE22))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.40293E-03 ppm1      2.764 ppm2      6.679 CV     1
 OR {  993}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 49   and name HE22))
 ASSI {  994}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.73185E-03 ppm1      2.581 ppm2      6.793 CV     1
 ASSI {  995}
   (( segid "    " and resid 13   and name HD2 ))
   (  segid "    " and resid 31   and name HE% )
      3.200     1.200     1.200 peak   995 spectrum    1 weight  0.10000E+01 volume  0.23001E-02 ppm1      3.123 ppm2      6.868 CV     1
 ASSI {  997}
   (( segid "    " and resid 51   and name HD3 ))
   (  segid "    " and resid 31   and name HE% )
      4.100     2.100     1.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.49407E-03 ppm1      3.357 ppm2      6.869 CV     1
 ASSI {  998}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 31   and name HE% )
      6.000     6.000     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.11992E-04 ppm1      3.534 ppm2      6.867 CV     1
 ASSI {  999}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
      2.700     0.900     0.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.64208E-02 ppm1      3.743 ppm2      6.869 CV     1
 ASSI { 1000}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 48   and name HZ2 ))
      2.800     1.000     1.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.47762E-02 ppm1      3.533 ppm2      7.086 CV     1
 ASSI { 1001}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.12317E-02 ppm1      2.664 ppm2      7.113 CV     1
 ASSI { 1002}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
      6.000     6.000     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.18159E-04 ppm1      2.697 ppm2      6.867 CV     1
 ASSI { 1003}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      4.800     2.800     1.200 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.19530E-03 ppm1      3.790 ppm2      6.658 CV     1
 ASSI { 1004}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      5.400     3.600     0.600 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.93195E-04 ppm1      4.047 ppm2      6.661 CV     1
 ASSI { 1005}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.900     1.900     1.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.60919E-03 ppm1      3.860 ppm2      6.633 CV     1
 ASSI { 1006}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 48   and name HZ3 ))
      3.200     1.300     1.300 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.22408E-02 ppm1      4.559 ppm2      6.634 CV     1
 ASSI { 1007}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      2.900     1.100     1.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.37346E-02 ppm1      4.269 ppm2      6.869 CV     1
 ASSI { 1008}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      2.200     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.20099E-01 ppm1      4.168 ppm2      6.916 CV     1
 ASSI { 1009}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.300     1.400     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.16737E-02 ppm1      3.908 ppm2      6.917 CV     1
 ASSI { 1011}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      3.200     1.300     1.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.20588E-02 ppm1      5.710 ppm2      7.087 CV     1
 ASSI { 1012}
   (( segid "    " and resid 48   and name HH2 ))
   (  segid "    " and resid 31   and name HE% )
      3.500     1.500     1.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.12122E-02 ppm1      6.512 ppm2      6.868 CV     1
 ASSI { 1013}
   (( segid "    " and resid 48   and name HZ3 ))
   (  segid "    " and resid 31   and name HE% )
      5.200     3.400     0.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.11135E-03 ppm1      6.641 ppm2      6.869 CV     1
 ASSI { 1015}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
      3.800     1.800     1.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.73425E-03 ppm1      1.752 ppm2     -0.459 CV     1
 OR { 1015}
   (( segid "    " and resid 44   and name HG3 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 1016}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.89631E-03 ppm1      3.356 ppm2     -0.452 CV     1
 ASSI { 1018}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      6.000     5.300     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.28781E-04 ppm1      3.509 ppm2     -0.163 CV     1
 ASSI { 1019}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     1.500     1.500 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      3.638 ppm2     -0.455 CV     1
 ASSI { 1020}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      4.200     2.200     1.800 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.40875E-03 ppm1      3.868 ppm2     -0.456 CV     1
 ASSI { 1022}
   (( segid "    " and resid 18   and name HA2 ))
   (  segid "    " and resid 21   and name HD1%)
      3.400     1.400     1.400 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.15816E-02 ppm1      4.465 ppm2     -0.164 CV     1
 ASSI { 1026}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      2.700     0.900     0.900 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.62290E-02 ppm1      4.474 ppm2      0.579 CV     1
 ASSI { 1028}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      4.000     2.000     2.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.56431E-03 ppm1      3.034 ppm2      0.289 CV     1
 ASSI { 1029}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 22   and name HD2%)
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.99568E-03 ppm1      3.206 ppm2      0.283 CV     1
 ASSI { 1030}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 22   and name HD2%)
      2.800     1.000     1.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.47214E-02 ppm1      3.359 ppm2      0.287 CV     1
 ASSI { 1031}
   (( segid "    " and resid 44   and name HD3 ))
   (  segid "    " and resid 22   and name HD2%)
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.55917E-03 ppm1      3.623 ppm2      0.287 CV     1
 ASSI { 1032}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     6.000     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.65099E-05 ppm1      3.788 ppm2      0.287 CV     1
 ASSI { 1033}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     6.000     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.99362E-05 ppm1      3.871 ppm2      0.288 CV     1
 ASSI { 1034}
   (( segid "    " and resid 18   and name HA1 ))
   (  segid "    " and resid 21   and name HD2%)
      3.900     1.900     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.67566E-03 ppm1      3.885 ppm2      0.400 CV     1
 ASSI { 1035}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      2.800     1.000     1.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.51052E-02 ppm1      3.509 ppm2      0.399 CV     1
 ASSI { 1036}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      2.800     1.000     1.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.45124E-02 ppm1      3.317 ppm2      0.400 CV     1
 ASSI { 1037}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      3.900     1.900     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.62118E-03 ppm1      2.966 ppm2      0.528 CV     1
 ASSI { 1038}
   (( segid "    " and resid 51   and name HD2 ))
   (  segid "    " and resid 36   and name HD1%)
      3.900     1.900     1.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.63660E-03 ppm1      3.122 ppm2      0.526 CV     1
 ASSI { 1039}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      4.700     2.800     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.21140E-03 ppm1      3.222 ppm2      0.526 CV     1
 ASSI { 1040}
   (( segid "    " and resid 51   and name HD3 ))
   (  segid "    " and resid 36   and name HD1%)
      3.200     1.300     1.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.19931E-02 ppm1      3.359 ppm2      0.527 CV     1
 ASSI { 1041}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.400     2.400     1.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.30083E-03 ppm1      3.790 ppm2      0.527 CV     1
 ASSI { 1042}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      5.300     3.500     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.10245E-03 ppm1      3.869 ppm2      0.580 CV     1
 ASSI { 1043}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      5.700     4.100     0.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.63043E-04 ppm1      3.871 ppm2      0.733 CV     1
 ASSI { 1044}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      6.000     4.500     0.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.782 ppm2      0.730 CV     1
 ASSI { 1046}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 40   and name HD1%)
      4.300     2.300     1.700 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.33989E-03 ppm1      3.356 ppm2      0.733 CV     1
 ASSI { 1047}
   (( segid "    " and resid 51   and name HD3 ))
   (  segid "    " and resid 36   and name HD2%)
      3.300     1.300     1.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.18646E-02 ppm1      3.361 ppm2      0.793 CV     1
 ASSI { 1049}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      4.400     2.400     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.31419E-03 ppm1      4.050 ppm2      0.796 CV     1
 ASSI { 1053}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      4.800     2.900     1.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.18673E-03 ppm1      1.829 ppm2      0.397 CV     1
 ASSI { 1054}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 22   and name HD2%)
      3.200     1.300     1.300 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.21013E-02 ppm1      1.759 ppm2      0.287 CV     1
 OR { 1054}
   (( segid "    " and resid 44   and name HG3 ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI { 1055}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
      4.900     3.100     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.15487E-03 ppm1      1.949 ppm2      0.286 CV     1
 ASSI { 1056}
   (( segid "    " and resid 44   and name HG3 ))
   (  segid "    " and resid 40   and name HD1%)
      3.000     1.100     1.100 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.30398E-02 ppm1      1.751 ppm2      0.734 CV     1
 OR { 1056}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 1057}
   (( segid "    " and resid 51   and name HG3 ))
   (  segid "    " and resid 36   and name HD1%)
      2.900     1.000     1.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.41766E-02 ppm1      1.921 ppm2      0.527 CV     1
 OR { 1057}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 1058}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 33   and name HD1%)
      2.700     0.900     0.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.63318E-02 ppm1      0.903 ppm2      0.583 CV     1
 OR { 1058}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 1059}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 14   and name HG2%)
      2.900     1.000     1.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.40910E-02 ppm1      3.223 ppm2      1.285 CV     1
 ASSI { 1061}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
      3.200     1.300     1.300 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.21986E-02 ppm1      2.718 ppm2      1.091 CV     1
 ASSI { 1062}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 26   and name HG2%)
      3.200     1.300     1.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.21959E-02 ppm1      2.796 ppm2      1.090 CV     1
 ASSI { 1063}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 14   and name HG1%)
      4.200     2.200     1.800 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.41184E-03 ppm1      2.885 ppm2      1.124 CV     1
 ASSI { 1064}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 14   and name HG1%)
      3.300     1.400     1.400 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      2.983 ppm2      1.124 CV     1
 ASSI { 1066}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 14   and name HG1%)
      3.800     1.800     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.77948E-03 ppm1      3.370 ppm2      1.122 CV     1
 ASSI { 1067}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 54   and name HG2%)
      4.000     2.000     2.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.54478E-03 ppm1      2.760 ppm2      0.935 CV     1
 OR { 1067}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
 ASSI { 1070}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.66470E-02 ppm1      3.883 ppm2      1.836 CV     1
 ASSI { 1072}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 14   and name HG2%)
      3.200     1.300     1.300 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      2.885 ppm2      1.291 CV     1
 ASSI { 1076}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.000     2.000     2.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.58452E-03 ppm1      4.164 ppm2      2.445 CV     1
 ASSI { 1077}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.42349E-03 ppm1      4.162 ppm2      2.693 CV     1
 ASSI { 1079}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.213 ppm2      2.384 CV     1
 OR { 1079}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1083}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      3.900     1.900     1.900 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.59514E-03 ppm1      5.527 ppm2      3.883 CV     1
 ASSI { 1084}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.837 ppm2      8.280 CV     1
 ASSI { 1085}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.837 ppm2      8.670 CV     1
 ASSI { 1086}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     4.500     0.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      1.836 CV     1
 ASSI { 1087}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      8.643 CV     1
 ASSI { 1088}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HG2 ))
      6.000     4.500     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      1.997 CV     1
 ASSI { 1089}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.988 ppm2      1.710 CV     1
 ASSI { 1090}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      6.000     4.500     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      1.998 CV     1
 ASSI { 1091}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 31   and name HE% )
      2.900     1.000     1.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      2.380 ppm2      6.868 CV     1
 OR { 1091}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
 ASSI { 1092}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 48   and name HD1 ))
      4.600     2.700     1.400 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.23059E-03 ppm1      1.918 ppm2      7.284 CV     1
 ASSI { 1093}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      4.600     2.600     1.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.24258E-03 ppm1      1.420 ppm2      7.088 CV     1
 OR { 1093}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
 ASSI { 1094}
   (( segid "    " and resid 10   and name HG2 ))
   (  segid "    " and resid 11   and name HD% )
      5.800     4.100     0.200 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.62016E-04 ppm1      2.110 ppm2      6.915 CV     1
 ASSI { 1098}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
      3.400     1.400     1.400 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.15679E-02 ppm1      4.462 ppm2      0.904 CV     1
 OR { 1098}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI { 1099}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.72500E-03 ppm1      3.884 ppm2      8.741 CV     1
 ASSI { 1100}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.878 ppm2      8.843 CV     1
 ASSI { 1101}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.886 ppm2      8.070 CV     1
 ASSI { 1102}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     4.500     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.739 ppm2      1.440 CV     1
 OR { 1102}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1103}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 48   and name HD1 ))
      4.000     2.000     2.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.51120E-03 ppm1      0.738 ppm2      7.285 CV     1
 ASSI { 1104}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HD1 ))
      2.600     0.800     0.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.76749E-02 ppm1      4.504 ppm2      7.283 CV     1
 ASSI { 1105}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 49   and name HN  ))
      4.400     2.400     1.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.30597E-03 ppm1      7.279 ppm2      6.964 CV     1
 ASSI { 1107}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.600     1.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      3.269 ppm2      7.352 CV     1
 ASSI { 1108}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.900     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.37346E-04 ppm1      3.275 ppm2      7.116 CV     1
 ASSI { 1109}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 48   and name HE3 ))
      4.300     2.300     1.700 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.34605E-03 ppm1      2.694 ppm2      7.319 CV     1
 ASSI { 1110}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.70033E-03 ppm1      3.504 ppm2      0.924 CV     1
 ASSI { 1112}
   (( segid "    " and resid 9    and name HG3 ))
   (  segid "    " and resid 11   and name HE% )
      3.800     1.800     1.800 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.70204E-03 ppm1      2.583 ppm2      7.276 CV     1
 ASSI { 1114}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 26   and name HG2%)
      3.900     1.900     1.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.67326E-03 ppm1      2.095 ppm2      1.091 CV     1
 ASSI { 1117}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 14   and name HB  ))
      3.700     1.700     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.84937E-03 ppm1      2.883 ppm2      2.293 CV     1
 ASSI { 1119}
   (  segid "    " and resid 14   and name HG1%)
   (  segid "    " and resid 31   and name HD% )
      4.400     2.400     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.32824E-03 ppm1      1.128 ppm2      7.088 CV     1
 ASSI { 1120}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 48   and name HD1 ))
      4.800     2.900     1.200 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.17508E-03 ppm1      0.806 ppm2      7.286 CV     1
 OR { 1120}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 48   and name HD1 ))
 ASSI { 1121}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      3.700     1.700     1.700 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.91893E-03 ppm1      3.748 ppm2      7.086 CV     1
 ASSI { 1122}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      3.700     1.700     1.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.91756E-03 ppm1      4.137 ppm2      7.087 CV     1
 ASSI { 1123}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.200     2.200     1.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.43000E-03 ppm1      4.406 ppm2      7.068 CV     1
 ASSI { 1125}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.22411E-02 ppm1      8.063 ppm2      8.584 CV     1
 ASSI { 1126}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      7.651 ppm2      8.291 CV     1
 ASSI { 1127}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.15596E-02 ppm1      0.939 ppm2      7.933 CV     1
 ASSI { 1128}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.699 ppm2      9.175 CV     1
 ASSI { 1130}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 36   and name HD2%)
      3.900     1.900     1.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.67086E-03 ppm1      2.970 ppm2      0.792 CV     1
 ASSI { 1131}
   (( segid "    " and resid 51   and name HG3 ))
   (  segid "    " and resid 36   and name HD2%)
      4.800     2.900     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.18947E-03 ppm1      1.928 ppm2      0.793 CV     1
 OR { 1131}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 36   and name HD2%)
 OR { 1131}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1132}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.000     2.000     2.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.57356E-03 ppm1      3.537 ppm2      0.529 CV     1
 ASSI { 1133}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      3.400     1.400     1.400 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      3.874 ppm2      0.783 CV     1
 ASSI { 1134}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HG1%)
      4.000     2.000     2.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.55197E-03 ppm1      4.918 ppm2      1.123 CV     1
 ASSI { 1136}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 39   and name HB% )
      2.400     0.700     0.700 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.11848E-01 ppm1      4.695 ppm2      1.251 CV     1
 ASSI { 1138}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      5.000     3.100     1.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.14116E-03 ppm1      4.595 ppm2      2.118 CV     1
 OR { 1138}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 1139}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HG3 ))
      4.600     2.700     1.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.23504E-03 ppm1      3.870 ppm2      1.752 CV     1
 OR { 1139}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1141}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 50   and name HB3 ))
      3.400     1.400     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.14442E-02 ppm1      3.862 ppm2      2.385 CV     1
 OR { 1141}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1142}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.400     1.500     1.500 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      3.363 ppm2      0.578 CV     1
 ASSI { 1143}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.72329E-03 ppm1      1.286 ppm2      8.671 CV     1
 ASSI { 1144}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HN  ))
      4.300     2.300     1.700 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.35119E-03 ppm1      3.633 ppm2      8.606 CV     1
 ASSI { 1145}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.500     1.500     1.500 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.12386E-02 ppm1      4.552 ppm2      9.223 CV     1
 ASSI { 1146}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      7.458 ppm2      9.207 CV     1
 ASSI { 1148}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.72671E-03 ppm1      7.698 ppm2      8.669 CV     1
 ASSI { 1149}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.900     2.000     2.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.59309E-03 ppm1      7.355 ppm2      8.742 CV     1
 ASSI { 1150}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.700     1.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.97101E-03 ppm1      6.918 ppm2      8.584 CV     1
 ASSI { 1152}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.400     2.500     1.600 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.29603E-03 ppm1      6.665 ppm2      7.460 CV     1
 ASSI { 1153}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.72466E-03 ppm1      4.691 ppm2      6.661 CV     1
 ASSI { 1154}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      3.500     1.500     1.500 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.12958E-02 ppm1      2.442 ppm2      0.399 CV     1
 ASSI { 1155}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.10238E-02 ppm1      1.286 ppm2      0.529 CV     1
 ASSI { 1156}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
      3.800     1.800     1.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.69896E-03 ppm1      1.519 ppm2      0.580 CV     1
 ASSI { 1158}
   (  segid "    " and resid 39   and name HB% )
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.86719E-03 ppm1      1.258 ppm2      6.661 CV     1
 ASSI { 1159}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 31   and name HE% )
      3.500     1.600     1.600 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.11499E-02 ppm1      0.788 ppm2      6.868 CV     1
 ASSI { 1160}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 31   and name HD% )
      3.700     1.700     1.700 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.87199E-03 ppm1      2.297 ppm2      7.085 CV     1
 ASSI { 1161}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.500     1.500     1.500 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.12886E-02 ppm1      5.276 ppm2      6.917 CV     1
 ASSI { 1162}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HD1 ))
      3.200     1.300     1.300 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.21592E-02 ppm1      3.201 ppm2      7.285 CV     1
 ASSI { 1163}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.400     1.500     1.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.13554E-02 ppm1      3.157 ppm2      7.278 CV     1
 ASSI { 1164}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 12   and name HG  ))
      4.300     2.300     1.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.34503E-03 ppm1      7.089 ppm2      7.384 CV     1
 ASSI { 1165}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 48   and name HD1 ))
      4.500     2.500     1.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.28301E-03 ppm1      0.288 ppm2      7.286 CV     1
 ASSI { 1166}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      3.800     1.800     1.800 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.78839E-03 ppm1      4.261 ppm2      7.088 CV     1
 ASSI { 1167}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
      4.700     2.700     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.22065E-03 ppm1      4.595 ppm2      1.925 CV     1
 ASSI { 1168}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.10902E-02 ppm1      3.906 ppm2      8.161 CV     1
 ASSI { 1170}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      4.600     2.700     1.400 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.23401E-03 ppm1      4.456 ppm2      7.379 CV     1
 ASSI { 1172}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      2.800     1.000     1.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.51257E-02 ppm1      1.841 ppm2      7.379 CV     1
 ASSI { 1175}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG  ))
      2.800     1.000     1.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.50572E-02 ppm1      3.330 ppm2      7.379 CV     1
 ASSI { 1176}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      3.900     1.900     1.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.61056E-03 ppm1      3.882 ppm2      7.379 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -19.670   3.913   4.181
    2   2H    GLY   1          2H        GLY   1 -18.453   2.744   4.334
    3   3H    GLY   1          3H        GLY   1 -18.050   4.392   4.312
    4   1HA   GLY   1          2HA       GLY   1 -19.846   3.345   6.395
    5   2HA   GLY   1          1HA       GLY   1 -18.105   3.155   6.553
    6    HA   PRO   2           HA       PRO   2 -19.053   7.156   8.558
    7   1HB   PRO   2          2HB       PRO   2 -16.466   6.595   9.867
    8   2HB   PRO   2          1HB       PRO   2 -18.031   6.976  10.589
    9   1HG   PRO   2          2HG       PRO   2 -17.011   4.509  10.711
   10   2HG   PRO   2          1HG       PRO   2 -18.753   4.781  10.509
   11   1HD   PRO   2          2HD       PRO   2 -16.696   4.028   8.461
   12   2HD   PRO   2          1HD       PRO   2 -18.353   3.420   8.667
   13    H    LEU   3           H        LEU   3 -15.552   6.593   8.336
   14    HA   LEU   3           HA       LEU   3 -15.228   9.183   7.075
   15   1HB   LEU   3          2HB       LEU   3 -13.219   7.100   7.935
   16   2HB   LEU   3          1HB       LEU   3 -12.798   8.662   7.258
   17    HG   LEU   3           HG       LEU   3 -14.527   9.193   9.419
   18   1HD1  LEU   3          1HD1      LEU   3 -13.112   8.149  11.251
   19   2HD1  LEU   3          2HD1      LEU   3 -14.231   7.079  10.404
   20   3HD1  LEU   3          3HD1      LEU   3 -12.511   7.048  10.011
   21   1HD2  LEU   3          1HD2      LEU   3 -12.481  10.417   8.454
   22   2HD2  LEU   3          2HD2      LEU   3 -12.756  10.490  10.194
   23   3HD2  LEU   3          3HD2      LEU   3 -11.541   9.394   9.539
   24    H    GLY   4           H        GLY   4 -16.471   8.437   5.179
   25   1HA   GLY   4          1HA       GLY   4 -16.440   7.983   2.912
   26   2HA   GLY   4          2HA       GLY   4 -14.711   7.678   3.033
   27    H    SER   5           H        SER   5 -14.488   5.729   2.070
   28    HA   SER   5           HA       SER   5 -16.255   3.550   2.917
   29   1HB   SER   5          2HB       SER   5 -14.475   2.519   1.042
   30   2HB   SER   5          1HB       SER   5 -16.125   3.061   0.719
   31    HG   SER   5           HG       SER   5 -14.782   4.158  -0.670
   32    H    ASP   6           H        ASP   6 -13.370   4.966   3.711
   33    HA   ASP   6           HA       ASP   6 -11.671   4.440   5.121
   34   1HB   ASP   6          2HB       ASP   6 -13.112   3.234   6.599
   35   2HB   ASP   6          1HB       ASP   6 -13.210   1.867   5.491
   36    H    HIS   7           H        HIS   7 -12.520   1.511   3.288
   37    HA   HIS   7           HA       HIS   7  -9.738   1.025   2.662
   38   1HB   HIS   7          2HB       HIS   7 -11.758  -0.687   3.014
   39   2HB   HIS   7          1HB       HIS   7 -11.896  -0.473   1.270
   40    HD2  HIS   7           2HD      HIS   7  -9.113  -0.737   0.082
   41    HE1  HIS   7           1HE      HIS   7  -8.373  -3.893   2.809
   42    HE2  HIS   7           2HE      HIS   7  -7.453  -2.598   0.831
   43    H    HIS   8           H        HIS   8  -9.809   3.291   1.730
   44    HA   HIS   8           HA       HIS   8  -9.479   3.107  -1.056
   45   1HB   HIS   8          2HB       HIS   8 -11.881   3.194  -1.231
   46   2HB   HIS   8          1HB       HIS   8 -11.967   4.544  -0.103
   47    HD2  HIS   8           2HD      HIS   8 -10.646   3.906  -3.757
   48    HE1  HIS   8           1HE      HIS   8 -11.632   7.988  -3.264
   49    HE2  HIS   8           2HE      HIS   8 -10.633   6.266  -4.836
   50    H    MET   9           H        MET   9  -7.600   4.164  -0.937
   51    HA   MET   9           HA       MET   9  -7.627   6.958  -0.219
   52   1HB   MET   9          2HB       MET   9  -5.808   6.737   1.455
   53   2HB   MET   9          1HB       MET   9  -7.326   6.025   1.982
   54   1HG   MET   9          2HG       MET   9  -5.853   3.990   0.696
   55   2HG   MET   9          1HG       MET   9  -4.753   4.831   1.786
   56   1HE   MET   9          1HE       MET   9  -8.182   2.235   2.202
   57   2HE   MET   9          2HE       MET   9  -6.785   2.252   1.126
   58   3HE   MET   9          3HE       MET   9  -6.711   1.375   2.655
   59    H    GLU  10           H        GLU  10  -6.128   8.089  -1.234
   60    HA   GLU  10           HA       GLU  10  -4.386   6.687  -3.098
   61   1HB   GLU  10          2HB       GLU  10  -3.979   8.977  -4.005
   62   2HB   GLU  10          1HB       GLU  10  -5.675   8.513  -4.017
   63   1HG   GLU  10          2HG       GLU  10  -4.633  10.035  -1.686
   64   2HG   GLU  10          1HG       GLU  10  -4.896  10.887  -3.207
   65    H    PHE  11           H        PHE  11  -3.885   6.689  -0.215
   66    HA   PHE  11           HA       PHE  11  -1.115   7.510  -0.300
   67   1HB   PHE  11          2HB       PHE  11  -1.201   8.819   1.745
   68   2HB   PHE  11          1HB       PHE  11  -2.281   9.519   0.549
   69    HD1  PHE  11           1HD      PHE  11  -1.997   7.995   3.807
   70    HD2  PHE  11           2HD      PHE  11  -4.729   9.267   0.803
   71    HE1  PHE  11           1HE      PHE  11  -3.823   7.942   5.453
   72    HE2  PHE  11           2HE      PHE  11  -6.561   9.213   2.442
   73    HZ   PHE  11           HZ       PHE  11  -6.110   8.554   4.772
   74    H    CYS  12           H        CYS  12  -0.079   6.896   1.908
   75    HA   CYS  12           HA       CYS  12  -0.443   4.116   2.154
   76   1HB   CYS  12          2HB       CYS  12   1.327   6.149   3.384
   77   2HB   CYS  12          1HB       CYS  12   1.151   4.618   4.235
   78    HG   CYS  12           HG       CYS  12   3.303   5.176   2.057
   79    H    ARG  13           H        ARG  13  -1.561   2.907   3.483
   80    HA   ARG  13           HA       ARG  13  -3.616   3.846   5.107
   81   1HB   ARG  13          2HB       ARG  13  -2.190   1.241   4.799
   82   2HB   ARG  13          1HB       ARG  13  -3.254   1.441   6.185
   83   1HG   ARG  13          2HG       ARG  13  -4.914   2.287   4.291
   84   2HG   ARG  13          1HG       ARG  13  -3.894   1.235   3.305
   85   1HD   ARG  13          2HD       ARG  13  -5.305  -0.377   3.996
   86   2HD   ARG  13          1HD       ARG  13  -4.320  -0.350   5.459
   87    HE   ARG  13           HE       ARG  13  -6.056   1.350   6.255
   88   1HH1  ARG  13          2HH1      ARG  13  -6.758  -1.367   4.139
   89   2HH1  ARG  13          1HH1      ARG  13  -8.421  -1.458   4.612
   90   1HH2  ARG  13          2HH2      ARG  13  -8.242   1.216   6.868
   91   2HH2  ARG  13          1HH2      ARG  13  -9.277   0.033   6.130
   92    H    VAL  14           H        VAL  14  -0.336   2.860   5.953
   93    HA   VAL  14           HA       VAL  14  -0.820   3.399   8.772
   94    HB   VAL  14           HB       VAL  14   1.839   2.497   7.785
   95   1HG1  VAL  14          1HG1      VAL  14   1.567   0.980   9.779
   96   2HG1  VAL  14          2HG1      VAL  14   1.614   2.708  10.124
   97   3HG1  VAL  14          3HG1      VAL  14   0.073   1.850  10.128
   98   1HG2  VAL  14          1HG2      VAL  14   0.972   0.124   7.728
   99   2HG2  VAL  14          2HG2      VAL  14  -0.652   0.805   7.652
  100   3HG2  VAL  14          3HG2      VAL  14   0.505   1.135   6.359
  101    H    CYS  15           H        CYS  15   1.634   4.169   6.377
  102    HA   CYS  15           HA       CYS  15   2.786   6.232   8.004
  103   1HB   CYS  15          2HB       CYS  15   4.198   5.938   5.628
  104   2HB   CYS  15          1HB       CYS  15   4.534   5.137   7.168
  105    H    LYS  16           H        LYS  16   0.198   6.646   6.621
  106    HA   LYS  16           HA       LYS  16  -0.858   8.239   5.267
  107   1HB   LYS  16          2HB       LYS  16   0.760   9.882   7.213
  108   2HB   LYS  16          1HB       LYS  16  -0.775  10.330   6.482
  109   1HG   LYS  16          2HG       LYS  16  -0.939   7.794   7.869
  110   2HG   LYS  16          1HG       LYS  16  -0.408   9.100   8.928
  111   1HD   LYS  16          2HD       LYS  16  -2.398  10.377   7.726
  112   2HD   LYS  16          1HD       LYS  16  -2.992   8.731   7.512
  113   1HE   LYS  16          2HE       LYS  16  -2.028   9.113  10.193
  114   2HE   LYS  16          1HE       LYS  16  -3.219  10.348   9.788
  115   1HZ   LYS  16          1HZ       LYS  16  -3.952   8.054  10.742
  116   2HZ   LYS  16          2HZ       LYS  16  -3.805   7.552   9.127
  117   3HZ   LYS  16          3HZ       LYS  16  -4.866   8.809   9.529
  118    H    ASP  17           H        ASP  17   0.690   7.683   3.398
  119    HA   ASP  17           HA       ASP  17   2.731   9.587   2.789
  120   1HB   ASP  17          2HB       ASP  17   1.652   7.162   1.602
  121   2HB   ASP  17          1HB       ASP  17   2.034   8.373   0.384
  122    H    GLY  18           H        GLY  18   2.461  10.291   0.167
  123   1HA   GLY  18          1HA       GLY  18  -0.122  11.385  -0.402
  124   2HA   GLY  18          2HA       GLY  18   0.993  12.614   0.193
  125    H    GLY  19           H        GLY  19   3.350  11.462  -1.055
  126   1HA   GLY  19          1HA       GLY  19   2.838  12.481  -3.755
  127   2HA   GLY  19          2HA       GLY  19   4.412  12.284  -2.999
  128    H    GLU  20           H        GLU  20   5.522  10.386  -3.236
  129    HA   GLU  20           HA       GLU  20   4.819   8.718  -5.436
  130   1HB   GLU  20          2HB       GLU  20   6.915   8.165  -3.327
  131   2HB   GLU  20          1HB       GLU  20   6.843   7.495  -4.950
  132   1HG   GLU  20          2HG       GLU  20   7.065  10.445  -4.560
  133   2HG   GLU  20          1HG       GLU  20   8.491   9.418  -4.414
  134    H    LEU  21           H        LEU  21   3.609   6.928  -5.464
  135    HA   LEU  21           HA       LEU  21   3.179   5.467  -2.956
  136   1HB   LEU  21          2HB       LEU  21   1.222   7.081  -4.418
  137   2HB   LEU  21          1HB       LEU  21   0.680   5.445  -4.105
  138    HG   LEU  21           HG       LEU  21  -0.114   6.380  -2.209
  139   1HD1  LEU  21          1HD1      LEU  21   1.230   4.978  -1.038
  140   2HD1  LEU  21          2HD1      LEU  21   2.716   5.674  -1.683
  141   3HD1  LEU  21          3HD1      LEU  21   1.826   6.518  -0.415
  142   1HD2  LEU  21          1HD2      LEU  21   1.649   8.552  -2.972
  143   2HD2  LEU  21          2HD2      LEU  21   0.081   8.590  -2.164
  144   3HD2  LEU  21          3HD2      LEU  21   1.551   8.340  -1.223
  145    H    LEU  22           H        LEU  22   2.833   3.321  -3.162
  146    HA   LEU  22           HA       LEU  22   2.681   2.204  -5.888
  147   1HB   LEU  22          2HB       LEU  22   4.812   1.595  -5.116
  148   2HB   LEU  22          1HB       LEU  22   4.246   1.339  -3.479
  149    HG   LEU  22           HG       LEU  22   2.970  -0.678  -4.392
  150   1HD1  LEU  22          1HD1      LEU  22   4.606  -1.405  -6.483
  151   2HD1  LEU  22          2HD1      LEU  22   2.934  -0.861  -6.614
  152   3HD1  LEU  22          3HD1      LEU  22   4.253   0.290  -6.813
  153   1HD2  LEU  22          1HD2      LEU  22   5.463  -0.404  -3.332
  154   2HD2  LEU  22          2HD2      LEU  22   4.658  -1.944  -3.640
  155   3HD2  LEU  22          3HD2      LEU  22   5.800  -1.293  -4.819
  156    H    CYS  23           H        CYS  23   0.747   1.360  -6.218
  157    HA   CYS  23           HA       CYS  23  -0.819   0.478  -3.890
  158   1HB   CYS  23          2HB       CYS  23  -2.173   1.073  -6.454
  159   2HB   CYS  23          1HB       CYS  23  -2.644   1.485  -4.808
  160    HG   CYS  23           HG       CYS  23  -0.904   3.272  -7.051
  161    H    CYS  24           H        CYS  24  -2.483  -1.220  -4.304
  162    HA   CYS  24           HA       CYS  24  -1.260  -3.485  -5.528
  163   1HB   CYS  24          2HB       CYS  24  -3.976  -4.054  -5.012
  164   2HB   CYS  24          1HB       CYS  24  -2.583  -4.472  -4.021
  165    H    ASP  25           H        ASP  25  -3.061  -4.930  -6.786
  166    HA   ASP  25           HA       ASP  25  -4.009  -3.285  -9.045
  167   1HB   ASP  25          2HB       ASP  25  -2.129  -5.195  -9.298
  168   2HB   ASP  25          1HB       ASP  25  -3.566  -6.202  -9.441
  169    H    THR  26           H        THR  26  -5.179  -4.220  -6.431
  170    HA   THR  26           HA       THR  26  -7.581  -5.535  -7.513
  171    HB   THR  26           HB       THR  26  -7.651  -6.555  -5.097
  172    HG1  THR  26           1HG      THR  26  -5.927  -5.935  -4.011
  173   1HG2  THR  26          1HG2      THR  26  -7.448  -7.909  -7.112
  174   2HG2  THR  26          2HG2      THR  26  -6.341  -8.505  -5.874
  175   3HG2  THR  26          3HG2      THR  26  -5.726  -7.534  -7.213
  176    H    CYS  27           H        CYS  27  -6.330  -3.863  -4.632
  177    HA   CYS  27           HA       CYS  27  -8.974  -2.644  -4.260
  178   1HB   CYS  27          2HB       CYS  27  -7.303  -2.349  -1.969
  179   2HB   CYS  27          1HB       CYS  27  -8.753  -3.335  -2.142
  180    HA   PRO  28           HA       PRO  28  -7.084   1.310  -4.783
  181   1HB   PRO  28          2HB       PRO  28  -8.936   2.862  -3.496
  182   2HB   PRO  28          1HB       PRO  28  -9.193   2.108  -5.069
  183   1HG   PRO  28          2HG       PRO  28 -10.439   1.486  -2.528
  184   2HG   PRO  28          1HG       PRO  28 -10.845   0.884  -4.141
  185   1HD   PRO  28          2HD       PRO  28  -9.304  -0.403  -2.019
  186   2HD   PRO  28          1HD       PRO  28  -9.979  -1.109  -3.500
  187    H    SER  29           H        SER  29  -5.528   0.229  -2.903
  188    HA   SER  29           HA       SER  29  -5.257   2.407  -0.937
  189   1HB   SER  29          2HB       SER  29  -4.119  -0.274  -0.307
  190   2HB   SER  29          1HB       SER  29  -4.752   0.964   0.780
  191    HG   SER  29           HG       SER  29  -5.974  -1.189   0.010
  192    H    SER  30           H        SER  30  -3.126   3.091  -0.505
  193    HA   SER  30           HA       SER  30  -1.135   2.148  -2.458
  194   1HB   SER  30          2HB       SER  30  -1.292   4.995  -1.488
  195   2HB   SER  30          1HB       SER  30  -0.494   4.364  -2.928
  196    HG   SER  30           HG       SER  30  -2.815   3.715  -3.471
  197    H    TYR  31           H        TYR  31   0.997   1.995  -1.779
  198    HA   TYR  31           HA       TYR  31   1.550   2.625   1.037
  199   1HB   TYR  31          2HB       TYR  31   2.127  -0.017  -0.325
  200   2HB   TYR  31          1HB       TYR  31   2.687   0.430   1.280
  201    HD1  TYR  31           1HD      TYR  31  -0.159  -0.653  -0.721
  202    HD2  TYR  31           2HD      TYR  31   1.112   0.509   3.176
  203    HE1  TYR  31           1HE      TYR  31  -2.210  -1.608   0.225
  204    HE2  TYR  31           2HE      TYR  31  -0.947  -0.432   4.129
  205    HH   TYR  31           HH       TYR  31  -3.412  -1.962   2.037
  206    H    HIS  32           H        HIS  32   4.001   1.823   1.368
  207    HA   HIS  32           HA       HIS  32   5.717   3.299  -0.507
  208   1HB   HIS  32          2HB       HIS  32   6.142   1.974   2.189
  209   2HB   HIS  32          1HB       HIS  32   7.506   2.372   1.168
  210    HD2  HIS  32           2HD      HIS  32   8.421   4.908   1.357
  211    HE1  HIS  32           1HE      HIS  32   5.526   6.183   4.175
  212    HE2  HIS  32           2HE      HIS  32   7.623   6.840   2.895
  213    H    ILE  33           H        ILE  33   7.536   0.972   0.783
  214    HA   ILE  33           HA       ILE  33   6.631  -1.237  -0.903
  215    HB   ILE  33           HB       ILE  33   8.949  -1.854  -1.439
  216   1HG1  ILE  33          2HG1      ILE  33   9.713   0.840  -0.287
  217   1HG2  ILE  33          1HG2      ILE  33   7.780  -0.632  -3.110
  218   2HG2  ILE  33          2HG2      ILE  33   8.066   0.897  -2.276
  219   3HG2  ILE  33          3HG2      ILE  33   9.411   0.037  -3.029
  220   1HD1  ILE  33          1HD1      ILE  33  11.689   0.618  -1.238
  221   2HD1  ILE  33          2HD1      ILE  33  11.866  -1.015  -0.596
  222   3HD1  ILE  33          3HD1      ILE  33  11.055  -0.759  -2.141
  223    H    HIS  34           H        HIS  34   6.946  -0.235   2.135
  224    HA   HIS  34           HA       HIS  34   7.555  -2.876   3.179
  225   1HB   HIS  34          2HB       HIS  34   9.294  -2.011   4.731
  226   2HB   HIS  34          1HB       HIS  34   9.774  -1.932   3.041
  227    HD2  HIS  34           2HD      HIS  34   9.509   0.748   1.927
  228    HE1  HIS  34           1HE      HIS  34  10.051   2.504   5.738
  229    HE2  HIS  34           2HE      HIS  34  10.207   2.881   3.234
  230    H    CYS  35           H        CYS  35   5.297  -0.832   3.184
  231    HA   CYS  35           HA       CYS  35   5.030   0.042   5.885
  232   1HB   CYS  35          2HB       CYS  35   2.668  -0.284   4.096
  233   2HB   CYS  35          1HB       CYS  35   3.108   1.064   5.149
  234    H    LEU  36           H        LEU  36   4.401  -2.864   4.229
  235    HA   LEU  36           HA       LEU  36   2.572  -3.847   6.289
  236   1HB   LEU  36          2HB       LEU  36   2.887  -5.865   4.433
  237   2HB   LEU  36          1HB       LEU  36   1.562  -4.718   4.495
  238    HG   LEU  36           HG       LEU  36   3.954  -3.775   3.051
  239   1HD1  LEU  36          1HD1      LEU  36   2.419  -5.414   1.260
  240   2HD1  LEU  36          2HD1      LEU  36   4.159  -5.398   1.550
  241   3HD1  LEU  36          3HD1      LEU  36   3.106  -6.395   2.555
  242   1HD2  LEU  36          1HD2      LEU  36   2.158  -3.103   1.437
  243   2HD2  LEU  36          2HD2      LEU  36   0.983  -3.783   2.559
  244   3HD2  LEU  36          3HD2      LEU  36   1.991  -2.424   3.055
  245    H    ARG  37           H        ARG  37   2.966  -6.281   6.812
  246    HA   ARG  37           HA       ARG  37   5.456  -6.513   8.092
  247   1HB   ARG  37          2HB       ARG  37   3.131  -7.776   8.427
  248   2HB   ARG  37          1HB       ARG  37   3.959  -9.000   7.473
  249   1HG   ARG  37          2HG       ARG  37   5.113  -9.666   9.239
  250   2HG   ARG  37          1HG       ARG  37   5.702  -8.028   9.526
  251   1HD   ARG  37          2HD       ARG  37   4.043  -7.547  11.032
  252   2HD   ARG  37          1HD       ARG  37   2.910  -8.691  10.311
  253    HE   ARG  37           HE       ARG  37   4.960  -9.257  12.297
  254   1HH1  ARG  37          2HH1      ARG  37   2.522 -10.486  10.102
  255   2HH1  ARG  37          1HH1      ARG  37   2.518 -12.081  10.795
  256   1HH2  ARG  37          2HH2      ARG  37   4.929 -11.343  13.240
  257   2HH2  ARG  37          1HH2      ARG  37   3.873 -12.563  12.587
  258    HA   PRO  38           HA       PRO  38   6.866  -9.385   4.470
  259   1HB   PRO  38          2HB       PRO  38   5.023  -8.929   2.256
  260   2HB   PRO  38          1HB       PRO  38   5.504 -10.456   2.997
  261   1HG   PRO  38          2HG       PRO  38   3.003  -9.437   3.241
  262   2HG   PRO  38          1HG       PRO  38   3.765 -10.434   4.497
  263   1HD   PRO  38          2HD       PRO  38   3.473  -7.450   4.359
  264   2HD   PRO  38          1HD       PRO  38   3.252  -8.543   5.744
  265    H    ALA  39           H        ALA  39   7.888  -7.185   4.957
  266    HA   ALA  39           HA       ALA  39   7.528  -5.082   3.072
  267   1HB   ALA  39          1HB       ALA  39   8.030  -4.405   5.249
  268   2HB   ALA  39          2HB       ALA  39   9.384  -5.526   5.385
  269   3HB   ALA  39          3HB       ALA  39   9.515  -4.106   4.347
  270    H    LEU  40           H        LEU  40   8.982  -4.235   1.605
  271    HA   LEU  40           HA       LEU  40  11.185  -6.017   0.790
  272   1HB   LEU  40          2HB       LEU  40   9.474  -4.205  -0.927
  273   2HB   LEU  40          1HB       LEU  40  10.887  -5.069  -1.495
  274    HG   LEU  40           HG       LEU  40   9.410  -7.124  -0.503
  275   1HD1  LEU  40          1HD1      LEU  40   7.310  -6.475  -0.148
  276   2HD1  LEU  40          2HD1      LEU  40   7.602  -4.891  -0.866
  277   3HD1  LEU  40          3HD1      LEU  40   7.172  -6.259  -1.892
  278   1HD2  LEU  40          1HD2      LEU  40   8.621  -6.528  -3.217
  279   2HD2  LEU  40          2HD2      LEU  40  10.341  -6.230  -2.964
  280   3HD2  LEU  40          3HD2      LEU  40   9.657  -7.816  -2.600
  281    H    TYR  41           H        TYR  41  13.103  -4.969   0.090
  282    HA   TYR  41           HA       TYR  41  13.287  -2.142   0.916
  283   1HB   TYR  41          2HB       TYR  41  15.209  -4.407   1.101
  284   2HB   TYR  41          1HB       TYR  41  15.877  -2.823   0.726
  285    HD1  TYR  41           1HD      TYR  41  12.883  -2.963   2.783
  286    HD2  TYR  41           2HD      TYR  41  17.136  -2.922   2.855
  287    HE1  TYR  41           1HE      TYR  41  12.830  -2.381   5.174
  288    HE2  TYR  41           2HE      TYR  41  17.094  -2.339   5.242
  289    HH   TYR  41           HH       TYR  41  15.765  -1.560   6.929
  290    H    GLU  42           H        GLU  42  13.043  -4.199  -1.609
  291    HA   GLU  42           HA       GLU  42  14.449  -2.439  -3.490
  292   1HB   GLU  42          2HB       GLU  42  14.163  -4.329  -5.091
  293   2HB   GLU  42          1HB       GLU  42  15.126  -4.753  -3.683
  294   1HG   GLU  42          2HG       GLU  42  12.229  -5.302  -3.513
  295   2HG   GLU  42          1HG       GLU  42  13.163  -6.294  -4.632
  296    H    VAL  43           H        VAL  43  13.304  -1.717  -5.356
  297    HA   VAL  43           HA       VAL  43  10.458  -1.352  -4.874
  298    HB   VAL  43           HB       VAL  43  11.100  -0.246  -7.379
  299   1HG1  VAL  43          1HG1      VAL  43   9.771   0.480  -5.135
  300   2HG1  VAL  43          2HG1      VAL  43  11.167   1.558  -5.068
  301   3HG1  VAL  43          3HG1      VAL  43  10.117   1.562  -6.486
  302   1HG2  VAL  43          1HG2      VAL  43  13.495  -0.549  -6.634
  303   2HG2  VAL  43          2HG2      VAL  43  13.018   1.093  -7.064
  304   3HG2  VAL  43          3HG2      VAL  43  13.155   0.632  -5.368
  305    HA   PRO  44           HA       PRO  44   9.667  -4.906  -7.469
  306   1HB   PRO  44          2HB       PRO  44   6.958  -4.829  -7.245
  307   2HB   PRO  44          1HB       PRO  44   8.009  -5.470  -5.979
  308   1HG   PRO  44          2HG       PRO  44   6.692  -2.798  -6.179
  309   2HG   PRO  44          1HG       PRO  44   6.893  -3.847  -4.764
  310   1HD   PRO  44          2HD       PRO  44   8.468  -1.683  -5.246
  311   2HD   PRO  44          1HD       PRO  44   9.035  -3.121  -4.375
  312    H    ASP  45           H        ASP  45  10.294  -4.135  -9.455
  313    HA   ASP  45           HA       ASP  45   8.949  -2.034 -10.794
  314   1HB   ASP  45          2HB       ASP  45  10.604  -2.189 -12.385
  315   2HB   ASP  45          1HB       ASP  45  11.404  -2.967 -11.025
  316    H    GLY  46           H        GLY  46   8.341  -5.396 -10.596
  317   1HA   GLY  46          1HA       GLY  46   6.738  -5.374 -13.047
  318   2HA   GLY  46          2HA       GLY  46   7.165  -6.795 -12.105
  319    H    GLU  47           H        GLU  47   5.897  -7.423 -10.405
  320    HA   GLU  47           HA       GLU  47   3.336  -5.985 -10.163
  321   1HB   GLU  47          2HB       GLU  47   4.030  -8.876 -10.256
  322   2HB   GLU  47          1HB       GLU  47   2.709  -8.401  -9.196
  323   1HG   GLU  47          2HG       GLU  47   1.571  -8.849 -11.117
  324   2HG   GLU  47          1HG       GLU  47   1.871  -7.123 -11.321
  325    H    TRP  48           H        TRP  48   2.235  -6.316  -8.057
  326    HA   TRP  48           HA       TRP  48   3.656  -7.047  -5.728
  327   1HB   TRP  48          2HB       TRP  48   4.907  -4.978  -6.136
  328   2HB   TRP  48          1HB       TRP  48   3.405  -4.070  -6.254
  329    HD1  TRP  48           HD       TRP  48   5.716  -5.714  -3.690
  330    HE1  TRP  48           1HE      TRP  48   5.091  -4.853  -1.348
  331    HE3  TRP  48           3HE      TRP  48   1.474  -3.120  -4.883
  332    HZ2  TRP  48           2HZ      TRP  48   3.075  -3.277  -0.169
  333    HZ3  TRP  48           3HZ      TRP  48   0.249  -1.973  -3.084
  334    HH2  TRP  48           HH       TRP  48   1.041  -2.047  -0.774
  335    H    GLN  49           H        GLN  49   2.234  -7.295  -4.048
  336    HA   GLN  49           HA       GLN  49  -0.327  -5.910  -4.203
  337   1HB   GLN  49          2HB       GLN  49  -0.120  -8.536  -5.025
  338   2HB   GLN  49          1HB       GLN  49  -0.672  -8.679  -3.361
  339   1HG   GLN  49          2HG       GLN  49  -2.318  -6.740  -4.242
  340   2HG   GLN  49          1HG       GLN  49  -2.059  -7.638  -5.736
  341   1HE2  GLN  49          1HE2      GLN  49  -3.450  -7.669  -2.576
  342   2HE2  GLN  49          2HE2      GLN  49  -4.317  -9.162  -2.750
  343    H    CYS  50           H        CYS  50  -1.589  -6.118  -2.246
  344    HA   CYS  50           HA       CYS  50  -0.066  -5.468   0.046
  345   1HB   CYS  50          2HB       CYS  50  -2.611  -5.771   0.929
  346   2HB   CYS  50          1HB       CYS  50  -2.074  -4.358   0.013
  347    HA   PRO  51           HA       PRO  51  -0.066  -9.423   2.225
  348   1HB   PRO  51          2HB       PRO  51  -0.685  -8.675   4.754
  349   2HB   PRO  51          1HB       PRO  51   0.913  -8.412   4.050
  350   1HG   PRO  51          2HG       PRO  51  -1.339  -6.488   4.413
  351   2HG   PRO  51          1HG       PRO  51   0.403  -6.228   4.607
  352   1HD   PRO  51          2HD       PRO  51  -1.012  -5.452   2.398
  353   2HD   PRO  51          1HD       PRO  51   0.718  -5.845   2.372
  354    H    ARG  52           H        ARG  52  -2.610  -7.193   3.090
  355    HA   ARG  52           HA       ARG  52  -4.682  -8.774   2.037
  356   1HB   ARG  52          2HB       ARG  52  -3.998  -9.414   4.706
  357   2HB   ARG  52          1HB       ARG  52  -5.466  -8.453   4.799
  358   1HG   ARG  52          2HG       ARG  52  -6.561 -10.344   4.431
  359   2HG   ARG  52          1HG       ARG  52  -5.999 -10.228   2.762
  360   1HD   ARG  52          2HD       ARG  52  -3.989 -11.358   4.525
  361   2HD   ARG  52          1HD       ARG  52  -5.486 -12.288   4.540
  362    HE   ARG  52           HE       ARG  52  -3.949 -11.658   2.100
  363   1HH1  ARG  52          2HH1      ARG  52  -6.024 -13.764   3.979
  364   2HH1  ARG  52          1HH1      ARG  52  -6.015 -15.040   2.798
  365   1HH2  ARG  52          2HH2      ARG  52  -3.968 -13.310   0.517
  366   2HH2  ARG  52          1HH2      ARG  52  -4.856 -14.774   0.816
  367    H    CYS  53           H        CYS  53  -3.369  -6.092   2.257
  368    HA   CYS  53           HA       CYS  53  -3.760  -3.890   2.508
  369   1HB   CYS  53          2HB       CYS  53  -5.859  -5.047   0.988
  370   2HB   CYS  53          1HB       CYS  53  -6.552  -3.768   1.985
  371    H    THR  54           H        THR  54  -3.835  -5.300   4.882
  372    HA   THR  54           HA       THR  54  -5.269  -3.478   6.565
  373    HB   THR  54           HB       THR  54  -7.057  -5.121   5.900
  374    HG1  THR  54           1HG      THR  54  -7.782  -5.424   8.074
  375   1HG2  THR  54          1HG2      THR  54  -6.940  -7.334   7.193
  376   2HG2  THR  54          2HG2      THR  54  -5.205  -7.034   7.285
  377   3HG2  THR  54          3HG2      THR  54  -5.989  -7.194   5.714
  378    H    CYS  55           H        CYS  55  -5.238  -5.156   8.900
  379    HA   CYS  55           HA       CYS  55  -2.604  -4.843   9.780
  380   1HB   CYS  55          2HB       CYS  55  -3.786  -6.923  11.295
  381   2HB   CYS  55          1HB       CYS  55  -3.674  -5.214  11.708
  382    HG   CYS  55           HG       CYS  55  -6.181  -4.669  11.519
  383    HA   PRO  56           HA       PRO  56  -0.946  -8.306   7.554
  384   1HB   PRO  56          2HB       PRO  56   1.660  -7.812   8.011
  385   2HB   PRO  56          1HB       PRO  56   0.688  -6.821   6.918
  386   1HG   PRO  56          2HG       PRO  56   1.498  -6.283   9.747
  387   2HG   PRO  56          1HG       PRO  56   1.457  -5.176   8.363
  388   1HD   PRO  56          2HD       PRO  56  -0.496  -5.289  10.272
  389   2HD   PRO  56          1HD       PRO  56  -0.784  -4.767   8.601
  390    H    ALA  57           H        ALA  57  -1.998  -9.063  10.017
  391    HA   ALA  57           HA       ALA  57   0.131 -10.609  11.317
  392   1HB   ALA  57          1HB       ALA  57  -2.725 -10.057  12.073
  393   2HB   ALA  57          2HB       ALA  57  -1.735 -11.261  12.900
  394   3HB   ALA  57          3HB       ALA  57  -1.256  -9.564  12.914
  395    H    LEU  58           H        LEU  58  -2.381 -10.861   9.036
  396    HA   LEU  58           HA       LEU  58  -2.652 -13.738   9.278
  397   1HB   LEU  58          2HB       LEU  58  -3.775 -12.297   6.943
  398   2HB   LEU  58          1HB       LEU  58  -4.478 -13.575   7.915
  399    HG   LEU  58           HG       LEU  58  -4.163 -10.991   9.295
  400   1HD1  LEU  58          1HD1      LEU  58  -6.302 -10.179   8.187
  401   2HD1  LEU  58          2HD1      LEU  58  -4.812 -10.024   7.256
  402   3HD1  LEU  58          3HD1      LEU  58  -5.942 -11.330   6.899
  403   1HD2  LEU  58          1HD2      LEU  58  -6.368 -13.029   9.023
  404   2HD2  LEU  58          2HD2      LEU  58  -5.268 -12.823  10.387
  405   3HD2  LEU  58          3HD2      LEU  58  -6.466 -11.580  10.024
  406    H    LYS  59           H        LYS  59  -2.572 -14.945   7.081
  407    HA   LYS  59           HA       LYS  59   0.101 -14.538   6.020
  408   1HB   LYS  59          2HB       LYS  59  -0.677 -16.814   6.613
  409   2HB   LYS  59          1HB       LYS  59  -1.929 -16.693   5.384
  410   1HG   LYS  59          2HG       LYS  59   0.111 -16.209   3.805
  411   2HG   LYS  59          1HG       LYS  59   1.008 -17.042   5.077
  412   1HD   LYS  59          2HD       LYS  59  -1.170 -18.670   4.714
  413   2HD   LYS  59          1HD       LYS  59  -0.838 -18.100   3.076
  414   1HE   LYS  59          2HE       LYS  59   1.629 -18.762   4.342
  415   2HE   LYS  59          1HE       LYS  59   0.508 -20.105   4.547
  416   1HZ   LYS  59          1HZ       LYS  59   1.054 -18.816   1.928
  417   2HZ   LYS  59          2HZ       LYS  59   0.216 -20.265   2.215
  418   3HZ   LYS  59          3HZ       LYS  59   1.886 -20.185   2.491
  419    H    GLY  60           H        GLY  60   0.378 -13.168   4.404
  420   1HA   GLY  60          1HA       GLY  60  -1.816 -12.601   2.562
  421   2HA   GLY  60          2HA       GLY  60  -0.276 -11.753   2.643
  422    H    LYS  61           H        LYS  61   1.299 -14.184   2.643
  423    HA   LYS  61           HA       LYS  61   0.756 -15.247  -0.035
  424   1HB   LYS  61          2HB       LYS  61   2.973 -13.555   0.749
  425   2HB   LYS  61          1HB       LYS  61   3.550 -15.117   0.185
  426   1HG   LYS  61          2HG       LYS  61   1.624 -14.387  -1.670
  427   2HG   LYS  61          1HG       LYS  61   2.486 -12.889  -1.309
  428   1HD   LYS  61          2HD       LYS  61   3.666 -13.870  -3.092
  429   2HD   LYS  61          1HD       LYS  61   4.626 -14.219  -1.651
  430   1HE   LYS  61          2HE       LYS  61   3.365 -16.436  -1.557
  431   2HE   LYS  61          1HE       LYS  61   2.828 -16.064  -3.196
  432   1HZ   LYS  61          1HZ       LYS  61   5.185 -17.277  -2.461
  433   2HZ   LYS  61          2HZ       LYS  61   5.635 -15.713  -2.938
  434   3HZ   LYS  61          3HZ       LYS  61   4.769 -16.709  -4.005
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -19.202   0.315   3.542
    2   2H    GLY   1          2H        GLY   1 -20.093   1.747   3.719
    3   3H    GLY   1          3H        GLY   1 -20.710   0.475   2.783
    4   1HA   GLY   1          2HA       GLY   1 -21.869   0.429   4.827
    5   2HA   GLY   1          1HA       GLY   1 -20.754  -0.929   4.811
    6    HA   PRO   2           HA       PRO   2 -20.101   0.936   8.927
    7   1HB   PRO   2          2HB       PRO   2 -18.638  -1.617   9.276
    8   2HB   PRO   2          1HB       PRO   2 -19.890  -0.891  10.288
    9   1HG   PRO   2          2HG       PRO   2 -20.428  -3.005   8.750
   10   2HG   PRO   2          1HG       PRO   2 -21.614  -1.703   8.969
   11   1HD   PRO   2          2HD       PRO   2 -19.804  -2.248   6.653
   12   2HD   PRO   2          1HD       PRO   2 -21.496  -1.710   6.657
   13    H    LEU   3           H        LEU   3 -17.525  -1.158   7.621
   14    HA   LEU   3           HA       LEU   3 -15.679   1.122   7.845
   15   1HB   LEU   3          2HB       LEU   3 -15.403  -1.664   8.829
   16   2HB   LEU   3          1HB       LEU   3 -13.982  -0.937   8.105
   17    HG   LEU   3           HG       LEU   3 -15.511   0.314  10.384
   18   1HD1  LEU   3          1HD1      LEU   3 -13.346  -0.473  11.616
   19   2HD1  LEU   3          2HD1      LEU   3 -14.707  -1.578  11.411
   20   3HD1  LEU   3          3HD1      LEU   3 -13.309  -1.694  10.345
   21   1HD2  LEU   3          1HD2      LEU   3 -12.911   1.181  10.451
   22   2HD2  LEU   3          2HD2      LEU   3 -13.249   1.102   8.721
   23   3HD2  LEU   3          3HD2      LEU   3 -14.273   2.075   9.775
   24    H    GLY   4           H        GLY   4 -13.932   1.105   6.311
   25   1HA   GLY   4          1HA       GLY   4 -12.889   0.169   4.355
   26   2HA   GLY   4          2HA       GLY   4 -14.401  -0.654   3.991
   27    H    SER   5           H        SER   5 -15.303   2.305   5.021
   28    HA   SER   5           HA       SER   5 -15.920   3.249   2.395
   29   1HB   SER   5          2HB       SER   5 -16.107   5.259   4.490
   30   2HB   SER   5          1HB       SER   5 -17.386   4.552   3.503
   31    HG   SER   5           HG       SER   5 -17.896   3.800   5.445
   32    H    ASP   6           H        ASP   6 -13.272   3.461   4.468
   33    HA   ASP   6           HA       ASP   6 -12.083   5.608   2.840
   34   1HB   ASP   6          2HB       ASP   6 -12.348   5.962   5.389
   35   2HB   ASP   6          1HB       ASP   6 -11.062   4.770   5.546
   36    H    HIS   7           H        HIS   7 -12.044   3.425   1.539
   37    HA   HIS   7           HA       HIS   7  -9.773   1.749   2.278
   38   1HB   HIS   7          2HB       HIS   7 -12.025   0.841   1.501
   39   2HB   HIS   7          1HB       HIS   7 -11.609   1.431  -0.102
   40    HD2  HIS   7           2HD      HIS   7  -9.172   0.197  -1.143
   41    HE1  HIS   7           1HE      HIS   7  -9.935  -3.319   1.085
   42    HE2  HIS   7           2HE      HIS   7  -8.635  -2.326  -0.852
   43    H    HIS   8           H        HIS   8 -10.883   3.782  -0.400
   44    HA   HIS   8           HA       HIS   8  -8.375   3.518  -1.806
   45   1HB   HIS   8          2HB       HIS   8  -9.346   4.875  -3.510
   46   2HB   HIS   8          1HB       HIS   8 -10.605   3.781  -2.958
   47    HD2  HIS   8           2HD      HIS   8 -10.296   7.319  -3.890
   48    HE1  HIS   8           1HE      HIS   8 -13.351   7.224  -0.965
   49    HE2  HIS   8           2HE      HIS   8 -12.387   8.515  -2.920
   50    H    MET   9           H        MET   9  -6.718   4.941  -1.858
   51    HA   MET   9           HA       MET   9  -6.891   7.596  -0.843
   52   1HB   MET   9          2HB       MET   9  -5.441   7.323   1.118
   53   2HB   MET   9          1HB       MET   9  -6.941   6.429   1.304
   54   1HG   MET   9          2HG       MET   9  -5.600   4.408   0.454
   55   2HG   MET   9          1HG       MET   9  -4.182   5.391   0.816
   56   1HE   MET   9          1HE       MET   9  -7.340   4.726   4.051
   57   2HE   MET   9          2HE       MET   9  -7.580   5.369   2.425
   58   3HE   MET   9          3HE       MET   9  -7.426   3.628   2.675
   59    H    GLU  10           H        GLU  10  -5.176   8.818  -1.443
   60    HA   GLU  10           HA       GLU  10  -3.307   7.642  -3.294
   61   1HB   GLU  10          2HB       GLU  10  -3.186  10.472  -2.279
   62   2HB   GLU  10          1HB       GLU  10  -2.696   9.846  -3.848
   63   1HG   GLU  10          2HG       GLU  10  -4.634  10.752  -4.519
   64   2HG   GLU  10          1HG       GLU  10  -5.316   9.247  -3.905
   65    H    PHE  11           H        PHE  11  -3.382   8.323   0.021
   66    HA   PHE  11           HA       PHE  11  -0.464   8.202   0.308
   67   1HB   PHE  11          2HB       PHE  11  -0.922   8.610   2.726
   68   2HB   PHE  11          1HB       PHE  11  -1.505   9.903   1.685
   69    HD1  PHE  11           1HD      PHE  11  -2.395   7.358   4.077
   70    HD2  PHE  11           2HD      PHE  11  -3.934  10.114   1.234
   71    HE1  PHE  11           1HE      PHE  11  -4.621   7.165   5.105
   72    HE2  PHE  11           2HE      PHE  11  -6.163   9.927   2.253
   73    HZ   PHE  11           HZ       PHE  11  -6.508   8.455   4.193
   74    H    CYS  12           H        CYS  12   0.036   6.813   2.419
   75    HA   CYS  12           HA       CYS  12  -0.749   4.154   1.580
   76   1HB   CYS  12          2HB       CYS  12   1.383   3.686   2.023
   77   2HB   CYS  12          1HB       CYS  12   1.606   5.366   2.497
   78    HG   CYS  12           HG       CYS  12   2.167   4.938   4.872
   79    H    ARG  13           H        ARG  13  -1.474   2.534   2.975
   80    HA   ARG  13           HA       ARG  13  -3.486   3.441   4.710
   81   1HB   ARG  13          2HB       ARG  13  -2.412   0.661   4.224
   82   2HB   ARG  13          1HB       ARG  13  -3.846   1.004   5.183
   83   1HG   ARG  13          2HG       ARG  13  -4.592   2.283   3.011
   84   2HG   ARG  13          1HG       ARG  13  -3.436   1.192   2.243
   85   1HD   ARG  13          2HD       ARG  13  -5.437   0.020   2.116
   86   2HD   ARG  13          1HD       ARG  13  -4.661  -0.666   3.542
   87    HE   ARG  13           HE       ARG  13  -6.149   1.212   4.678
   88   1HH1  ARG  13          2HH1      ARG  13  -6.983  -1.009   2.100
   89   2HH1  ARG  13          1HH1      ARG  13  -8.655  -1.108   2.556
   90   1HH2  ARG  13          2HH2      ARG  13  -8.364   1.087   5.272
   91   2HH2  ARG  13          1HH2      ARG  13  -9.434   0.053   4.367
   92    H    VAL  14           H        VAL  14  -0.374   1.892   5.395
   93    HA   VAL  14           HA       VAL  14  -0.909   1.789   8.226
   94    HB   VAL  14           HB       VAL  14   1.780   1.313   6.970
   95   1HG1  VAL  14          1HG1      VAL  14   2.282   0.116   8.860
   96   2HG1  VAL  14          2HG1      VAL  14   1.208   1.343   9.530
   97   3HG1  VAL  14          3HG1      VAL  14   0.595  -0.276   9.193
   98   1HG2  VAL  14          1HG2      VAL  14  -0.426   0.088   6.000
   99   2HG2  VAL  14          2HG2      VAL  14   1.172  -0.655   6.050
  100   3HG2  VAL  14          3HG2      VAL  14  -0.002  -1.005   7.319
  101    H    CYS  15           H        CYS  15   2.064   3.062   6.731
  102    HA   CYS  15           HA       CYS  15   2.061   5.235   8.640
  103   1HB   CYS  15          2HB       CYS  15   4.235   5.716   7.101
  104   2HB   CYS  15          1HB       CYS  15   4.242   4.713   8.543
  105    H    LYS  16           H        LYS  16   0.079   5.914   7.658
  106    HA   LYS  16           HA       LYS  16  -0.572   6.656   5.235
  107   1HB   LYS  16          2HB       LYS  16  -1.909   8.587   6.456
  108   2HB   LYS  16          1HB       LYS  16  -2.325   6.892   6.659
  109   1HG   LYS  16          2HG       LYS  16  -1.579   6.818   8.810
  110   2HG   LYS  16          1HG       LYS  16  -0.372   8.080   8.552
  111   1HD   LYS  16          2HD       LYS  16  -3.063   9.079   8.174
  112   2HD   LYS  16          1HD       LYS  16  -2.849   8.368   9.775
  113   1HE   LYS  16          2HE       LYS  16  -0.627  10.070   8.926
  114   2HE   LYS  16          1HE       LYS  16  -2.163  10.924   9.072
  115   1HZ   LYS  16          1HZ       LYS  16  -1.029  10.998  11.158
  116   2HZ   LYS  16          2HZ       LYS  16  -0.813   9.315  11.174
  117   3HZ   LYS  16          3HZ       LYS  16  -2.370   9.973  11.329
  118    H    ASP  17           H        ASP  17   1.606   7.297   4.576
  119    HA   ASP  17           HA       ASP  17   1.881  10.236   4.564
  120   1HB   ASP  17          2HB       ASP  17   3.629   8.594   5.733
  121   2HB   ASP  17          1HB       ASP  17   4.221   8.443   4.083
  122    H    GLY  18           H        GLY  18   3.354  10.875   2.641
  123   1HA   GLY  18          1HA       GLY  18   2.227   9.586   0.242
  124   2HA   GLY  18          2HA       GLY  18   2.849  11.233   0.321
  125    H    GLY  19           H        GLY  19   4.576  11.338  -0.958
  126   1HA   GLY  19          1HA       GLY  19   6.783  10.993  -1.564
  127   2HA   GLY  19          2HA       GLY  19   6.874   9.696  -0.378
  128    H    GLU  20           H        GLU  20   7.819   8.166  -1.664
  129    HA   GLU  20           HA       GLU  20   6.716   7.553  -4.268
  130   1HB   GLU  20          2HB       GLU  20   9.088   6.784  -2.709
  131   2HB   GLU  20          1HB       GLU  20   8.416   5.488  -3.691
  132   1HG   GLU  20          2HG       GLU  20   9.321   8.193  -4.646
  133   2HG   GLU  20          1HG       GLU  20  10.119   6.645  -4.927
  134    H    LEU  21           H        LEU  21   4.832   6.540  -4.353
  135    HA   LEU  21           HA       LEU  21   4.346   4.351  -2.438
  136   1HB   LEU  21          2HB       LEU  21   2.344   6.262  -3.639
  137   2HB   LEU  21          1HB       LEU  21   1.953   4.921  -2.578
  138    HG   LEU  21           HG       LEU  21   3.920   6.761  -1.437
  139   1HD1  LEU  21          1HD1      LEU  21   2.154   8.103  -2.906
  140   2HD1  LEU  21          2HD1      LEU  21   1.178   7.876  -1.455
  141   3HD1  LEU  21          3HD1      LEU  21   2.739   8.691  -1.350
  142   1HD2  LEU  21          1HD2      LEU  21   1.384   5.401  -0.600
  143   2HD2  LEU  21          2HD2      LEU  21   3.022   5.184   0.019
  144   3HD2  LEU  21          3HD2      LEU  21   2.121   6.650   0.404
  145    H    LEU  22           H        LEU  22   3.402   2.507  -3.149
  146    HA   LEU  22           HA       LEU  22   2.907   2.277  -6.045
  147   1HB   LEU  22          2HB       LEU  22   3.852   0.161  -6.124
  148   2HB   LEU  22          1HB       LEU  22   4.933   1.008  -5.035
  149    HG   LEU  22           HG       LEU  22   2.833  -0.262  -3.533
  150   1HD1  LEU  22          1HD1      LEU  22   3.138  -2.530  -4.057
  151   2HD1  LEU  22          2HD1      LEU  22   2.881  -1.728  -5.607
  152   3HD1  LEU  22          3HD1      LEU  22   4.511  -2.188  -5.111
  153   1HD2  LEU  22          1HD2      LEU  22   4.854  -1.415  -2.538
  154   2HD2  LEU  22          2HD2      LEU  22   5.828  -0.488  -3.679
  155   3HD2  LEU  22          3HD2      LEU  22   4.850   0.348  -2.471
  156    H    CYS  23           H        CYS  23   1.161   0.806  -6.609
  157    HA   CYS  23           HA       CYS  23  -0.781   0.495  -4.408
  158   1HB   CYS  23          2HB       CYS  23  -1.990   0.761  -7.038
  159   2HB   CYS  23          1HB       CYS  23  -2.312   1.664  -5.559
  160    HG   CYS  23           HG       CYS  23   0.411   2.377  -7.482
  161    H    CYS  24           H        CYS  24  -2.261  -1.274  -4.557
  162    HA   CYS  24           HA       CYS  24  -1.031  -3.620  -5.588
  163   1HB   CYS  24          2HB       CYS  24  -3.652  -4.252  -4.838
  164   2HB   CYS  24          1HB       CYS  24  -2.195  -4.427  -3.869
  165    H    ASP  25           H        ASP  25  -2.968  -5.235  -6.437
  166    HA   ASP  25           HA       ASP  25  -3.450  -4.257  -9.129
  167   1HB   ASP  25          2HB       ASP  25  -2.452  -6.507  -8.703
  168   2HB   ASP  25          1HB       ASP  25  -3.965  -7.000  -7.956
  169    H    THR  26           H        THR  26  -5.227  -5.076  -6.258
  170    HA   THR  26           HA       THR  26  -7.749  -5.070  -7.714
  171    HB   THR  26           HB       THR  26  -8.627  -5.780  -5.394
  172    HG1  THR  26           1HG      THR  26  -6.998  -5.385  -3.990
  173   1HG2  THR  26          1HG2      THR  26  -7.125  -8.052  -5.838
  174   2HG2  THR  26          2HG2      THR  26  -7.119  -7.253  -7.411
  175   3HG2  THR  26          3HG2      THR  26  -8.649  -7.654  -6.631
  176    H    CYS  27           H        CYS  27  -6.532  -3.716  -4.679
  177    HA   CYS  27           HA       CYS  27  -8.729  -1.872  -4.558
  178   1HB   CYS  27          2HB       CYS  27  -6.769  -1.577  -2.468
  179   2HB   CYS  27          1HB       CYS  27  -8.418  -2.199  -2.370
  180    HA   PRO  28           HA       PRO  28  -6.427   1.716  -5.754
  181   1HB   PRO  28          2HB       PRO  28  -8.205   3.514  -4.493
  182   2HB   PRO  28          1HB       PRO  28  -8.315   2.900  -6.142
  183   1HG   PRO  28          2HG       PRO  28 -10.110   2.361  -4.069
  184   2HG   PRO  28          1HG       PRO  28  -9.986   1.471  -5.597
  185   1HD   PRO  28          2HD       PRO  28  -8.883   0.792  -2.907
  186   2HD   PRO  28          1HD       PRO  28  -9.527  -0.279  -4.172
  187    H    SER  29           H        SER  29  -5.650   0.478  -3.155
  188    HA   SER  29           HA       SER  29  -5.092   2.791  -1.470
  189   1HB   SER  29          2HB       SER  29  -3.884   0.264  -0.646
  190   2HB   SER  29          1HB       SER  29  -5.003   1.311   0.229
  191    HG   SER  29           HG       SER  29  -5.613  -0.984  -0.593
  192    H    SER  30           H        SER  30  -2.984   3.417  -0.919
  193    HA   SER  30           HA       SER  30  -0.913   2.473  -2.780
  194   1HB   SER  30          2HB       SER  30  -0.850   5.187  -1.479
  195   2HB   SER  30          1HB       SER  30  -0.031   4.642  -2.943
  196    HG   SER  30           HG       SER  30  -2.795   5.188  -2.583
  197    H    TYR  31           H        TYR  31   1.148   2.119  -1.957
  198    HA   TYR  31           HA       TYR  31   1.402   2.142   0.978
  199   1HB   TYR  31          2HB       TYR  31   1.856  -0.148  -0.931
  200   2HB   TYR  31          1HB       TYR  31   2.607  -0.107   0.657
  201    HD1  TYR  31           1HD      TYR  31   1.310  -0.523   2.650
  202    HD2  TYR  31           2HD      TYR  31  -0.566  -0.403  -1.170
  203    HE1  TYR  31           1HE      TYR  31  -0.704  -1.545   3.613
  204    HE2  TYR  31           2HE      TYR  31  -2.588  -1.425  -0.213
  205    HH   TYR  31           HH       TYR  31  -3.527  -2.323   1.576
  206    H    HIS  32           H        HIS  32   3.638   1.708   1.672
  207    HA   HIS  32           HA       HIS  32   5.641   2.891  -0.131
  208   1HB   HIS  32          2HB       HIS  32   5.710   2.351   2.859
  209   2HB   HIS  32          1HB       HIS  32   7.084   2.918   1.931
  210    HD2  HIS  32           2HD      HIS  32   6.764   5.565   0.877
  211    HE1  HIS  32           1HE      HIS  32   3.869   6.555   3.807
  212    HE2  HIS  32           2HE      HIS  32   5.288   7.445   1.893
  213    H    ILE  33           H        ILE  33   7.863   1.515   0.990
  214    HA   ILE  33           HA       ILE  33   7.150  -1.258   0.315
  215    HB   ILE  33           HB       ILE  33   9.610  -1.592  -0.123
  216   1HG1  ILE  33          2HG1      ILE  33   9.572   1.424   0.088
  217   1HG2  ILE  33          1HG2      ILE  33   7.716   0.015  -1.736
  218   2HG2  ILE  33          2HG2      ILE  33   9.381  -0.081  -2.308
  219   3HG2  ILE  33          3HG2      ILE  33   8.444  -1.556  -2.075
  220   1HD1  ILE  33          1HD1      ILE  33  12.152   0.402  -0.574
  221   2HD1  ILE  33          2HD1      ILE  33  10.995  -0.049  -1.829
  222   3HD1  ILE  33          3HD1      ILE  33  11.200   1.646  -1.387
  223    H    HIS  34           H        HIS  34   7.042   0.235   2.948
  224    HA   HIS  34           HA       HIS  34   8.339  -1.879   4.487
  225   1HB   HIS  34          2HB       HIS  34   9.380  -0.322   6.053
  226   2HB   HIS  34          1HB       HIS  34   9.981  -0.052   4.422
  227    HD2  HIS  34           2HD      HIS  34   9.076   2.319   3.194
  228    HE1  HIS  34           1HE      HIS  34   7.741   4.023   6.824
  229    HE2  HIS  34           2HE      HIS  34   8.488   4.510   4.449
  230    H    CYS  35           H        CYS  35   5.515  -0.587   3.856
  231    HA   CYS  35           HA       CYS  35   4.567   0.089   6.476
  232   1HB   CYS  35          2HB       CYS  35   2.690  -0.663   4.288
  233   2HB   CYS  35          1HB       CYS  35   2.590   0.654   5.453
  234    H    LEU  36           H        LEU  36   4.869  -2.790   4.616
  235    HA   LEU  36           HA       LEU  36   2.979  -4.245   6.294
  236   1HB   LEU  36          2HB       LEU  36   4.399  -5.881   4.381
  237   2HB   LEU  36          1HB       LEU  36   2.678  -5.595   4.542
  238    HG   LEU  36           HG       LEU  36   4.355  -3.497   3.239
  239   1HD1  LEU  36          1HD1      LEU  36   3.308  -5.222   1.248
  240   2HD1  LEU  36          2HD1      LEU  36   4.991  -4.779   1.547
  241   3HD1  LEU  36          3HD1      LEU  36   4.292  -6.187   2.348
  242   1HD2  LEU  36          1HD2      LEU  36   2.079  -3.751   1.812
  243   2HD2  LEU  36          2HD2      LEU  36   1.529  -4.299   3.395
  244   3HD2  LEU  36          3HD2      LEU  36   2.248  -2.699   3.218
  245    H    ARG  37           H        ARG  37   3.890  -6.676   6.632
  246    HA   ARG  37           HA       ARG  37   5.939  -6.394   8.576
  247   1HB   ARG  37          2HB       ARG  37   4.463  -8.736   7.430
  248   2HB   ARG  37          1HB       ARG  37   5.852  -8.996   8.473
  249   1HG   ARG  37          2HG       ARG  37   3.492  -7.317   9.273
  250   2HG   ARG  37          1HG       ARG  37   3.616  -9.046   9.604
  251   1HD   ARG  37          2HD       ARG  37   4.590  -8.401  11.518
  252   2HD   ARG  37          1HD       ARG  37   6.016  -8.149  10.515
  253    HE   ARG  37           HE       ARG  37   5.688  -5.854  10.637
  254   1HH1  ARG  37          2HH1      ARG  37   3.137  -7.588  12.296
  255   2HH1  ARG  37          1HH1      ARG  37   2.501  -6.160  13.068
  256   1HH2  ARG  37          2HH2      ARG  37   4.851  -3.984  11.640
  257   2HH2  ARG  37          1HH2      ARG  37   3.466  -4.118  12.681
  258    HA   PRO  38           HA       PRO  38   8.870  -8.536   5.458
  259   1HB   PRO  38          2HB       PRO  38   7.590  -8.754   2.874
  260   2HB   PRO  38          1HB       PRO  38   8.224 -10.042   3.899
  261   1HG   PRO  38          2HG       PRO  38   5.569  -9.702   3.394
  262   2HG   PRO  38          1HG       PRO  38   6.198 -10.439   4.878
  263   1HD   PRO  38          2HD       PRO  38   5.240  -7.636   4.415
  264   2HD   PRO  38          1HD       PRO  38   4.937  -8.717   5.794
  265    H    ALA  39           H        ALA  39   9.988  -6.637   5.480
  266    HA   ALA  39           HA       ALA  39   9.206  -4.331   4.018
  267   1HB   ALA  39          1HB       ALA  39  10.546  -4.129   6.027
  268   2HB   ALA  39          2HB       ALA  39  11.861  -5.029   5.270
  269   3HB   ALA  39          3HB       ALA  39  11.412  -3.439   4.652
  270    H    LEU  40           H        LEU  40   9.633  -3.728   2.010
  271    HA   LEU  40           HA       LEU  40  11.177  -5.535   0.304
  272   1HB   LEU  40          2HB       LEU  40   9.440  -3.172  -0.428
  273   2HB   LEU  40          1HB       LEU  40  10.172  -4.297  -1.556
  274    HG   LEU  40           HG       LEU  40   8.632  -5.833   0.256
  275   1HD1  LEU  40          1HD1      LEU  40   6.384  -4.854  -0.253
  276   2HD1  LEU  40          2HD1      LEU  40   7.355  -3.933   0.894
  277   3HD1  LEU  40          3HD1      LEU  40   7.212  -3.389  -0.778
  278   1HD2  LEU  40          1HD2      LEU  40   9.232  -5.970  -2.304
  279   2HD2  LEU  40          2HD2      LEU  40   7.774  -6.726  -1.661
  280   3HD2  LEU  40          3HD2      LEU  40   7.672  -5.165  -2.475
  281    H    TYR  41           H        TYR  41  13.009  -4.926  -0.746
  282    HA   TYR  41           HA       TYR  41  14.150  -2.344   0.077
  283   1HB   TYR  41          2HB       TYR  41  15.405  -4.898  -0.923
  284   2HB   TYR  41          1HB       TYR  41  16.310  -3.393  -0.777
  285    HD1  TYR  41           1HD      TYR  41  16.248  -2.247   1.560
  286    HD2  TYR  41           2HD      TYR  41  15.281  -6.339   0.909
  287    HE1  TYR  41           1HE      TYR  41  16.648  -2.715   3.939
  288    HE2  TYR  41           2HE      TYR  41  15.677  -6.817   3.287
  289    HH   TYR  41           HH       TYR  41  17.301  -4.765   5.332
  290    H    GLU  42           H        GLU  42  12.461  -3.642  -2.365
  291    HA   GLU  42           HA       GLU  42  13.252  -1.540  -4.190
  292   1HB   GLU  42          2HB       GLU  42  13.043  -3.369  -6.082
  293   2HB   GLU  42          1HB       GLU  42  14.581  -3.077  -5.277
  294   1HG   GLU  42          2HG       GLU  42  14.104  -4.970  -3.764
  295   2HG   GLU  42          1HG       GLU  42  12.624  -5.283  -4.669
  296    H    VAL  43           H        VAL  43  11.531  -0.729  -5.261
  297    HA   VAL  43           HA       VAL  43   8.956  -1.427  -4.334
  298    HB   VAL  43           HB       VAL  43   9.324   0.848  -4.878
  299   1HG1  VAL  43          1HG1      VAL  43  10.615  -0.233  -7.234
  300   2HG1  VAL  43          2HG1      VAL  43   9.537   1.109  -7.618
  301   3HG1  VAL  43          3HG1      VAL  43  10.829   1.325  -6.436
  302   1HG2  VAL  43          1HG2      VAL  43   7.639   1.070  -6.947
  303   2HG2  VAL  43          2HG2      VAL  43   7.344  -0.613  -6.514
  304   3HG2  VAL  43          3HG2      VAL  43   7.111   0.657  -5.315
  305    HA   PRO  44           HA       PRO  44   8.164  -4.610  -7.347
  306   1HB   PRO  44          2HB       PRO  44   5.971  -5.614  -6.178
  307   2HB   PRO  44          1HB       PRO  44   7.578  -5.836  -5.475
  308   1HG   PRO  44          2HG       PRO  44   5.423  -3.906  -4.714
  309   2HG   PRO  44          1HG       PRO  44   6.506  -4.846  -3.672
  310   1HD   PRO  44          2HD       PRO  44   6.883  -2.194  -4.318
  311   2HD   PRO  44          1HD       PRO  44   8.174  -3.298  -3.811
  312    H    ASP  45           H        ASP  45   7.658  -3.114  -9.072
  313    HA   ASP  45           HA       ASP  45   4.828  -2.371  -9.291
  314   1HB   ASP  45          2HB       ASP  45   6.603  -0.634  -9.696
  315   2HB   ASP  45          1HB       ASP  45   7.103  -1.556 -11.110
  316    H    GLY  46           H        GLY  46   3.791  -4.198  -9.923
  317   1HA   GLY  46          1HA       GLY  46   3.605  -4.957 -12.544
  318   2HA   GLY  46          2HA       GLY  46   4.897  -5.964 -11.904
  319    H    GLU  47           H        GLU  47   4.388  -7.748 -10.797
  320    HA   GLU  47           HA       GLU  47   1.540  -8.251 -10.297
  321   1HB   GLU  47          2HB       GLU  47   3.882 -10.137 -10.590
  322   2HB   GLU  47          1HB       GLU  47   2.266 -10.651 -10.124
  323   1HG   GLU  47          2HG       GLU  47   1.594  -9.395 -12.339
  324   2HG   GLU  47          1HG       GLU  47   3.280  -9.714 -12.754
  325    H    TRP  48           H        TRP  48   1.355  -7.171  -8.349
  326    HA   TRP  48           HA       TRP  48   2.497  -8.574  -6.056
  327   1HB   TRP  48          2HB       TRP  48   4.012  -6.676  -6.460
  328   2HB   TRP  48          1HB       TRP  48   2.645  -5.569  -6.425
  329    HD1  TRP  48           HD       TRP  48   4.808  -7.728  -4.109
  330    HE1  TRP  48           1HE      TRP  48   4.493  -6.910  -1.689
  331    HE3  TRP  48           3HE      TRP  48   1.022  -4.373  -4.873
  332    HZ2  TRP  48           2HZ      TRP  48   2.858  -5.077  -0.292
  333    HZ3  TRP  48           3HZ      TRP  48   0.141  -3.131  -2.940
  334    HH2  TRP  48           HH       TRP  48   1.037  -3.480  -0.699
  335    H    GLN  49           H        GLN  49   1.109  -8.719  -4.360
  336    HA   GLN  49           HA       GLN  49  -1.291  -7.039  -4.436
  337   1HB   GLN  49          2HB       GLN  49  -1.180  -9.986  -4.476
  338   2HB   GLN  49          1HB       GLN  49  -2.316  -9.282  -3.329
  339   1HG   GLN  49          2HG       GLN  49  -2.395  -8.073  -5.990
  340   2HG   GLN  49          1HG       GLN  49  -2.832  -9.780  -5.956
  341   1HE2  GLN  49          1HE2      GLN  49  -3.520  -6.724  -4.218
  342   2HE2  GLN  49          2HE2      GLN  49  -5.202  -7.051  -4.008
  343    H    CYS  50           H        CYS  50  -2.401  -6.960  -2.364
  344    HA   CYS  50           HA       CYS  50  -0.431  -6.261  -0.418
  345   1HB   CYS  50          2HB       CYS  50  -2.834  -5.555   0.608
  346   2HB   CYS  50          1HB       CYS  50  -1.959  -4.603  -0.595
  347    HA   PRO  51           HA       PRO  51  -1.827  -9.283   2.627
  348   1HB   PRO  51          2HB       PRO  51  -0.279  -8.459   4.639
  349   2HB   PRO  51          1HB       PRO  51   0.443  -9.134   3.173
  350   1HG   PRO  51          2HG       PRO  51   0.401  -6.340   4.125
  351   2HG   PRO  51          1HG       PRO  51   1.513  -7.125   2.992
  352   1HD   PRO  51          2HD       PRO  51  -0.831  -5.512   2.409
  353   2HD   PRO  51          1HD       PRO  51   0.377  -6.164   1.283
  354    H    ARG  52           H        ARG  52  -3.105  -6.390   2.290
  355    HA   ARG  52           HA       ARG  52  -4.292  -6.289   4.975
  356   1HB   ARG  52          2HB       ARG  52  -2.381  -4.515   4.009
  357   2HB   ARG  52          1HB       ARG  52  -3.906  -3.647   3.873
  358   1HG   ARG  52          2HG       ARG  52  -3.519  -3.090   6.004
  359   2HG   ARG  52          1HG       ARG  52  -4.127  -4.708   6.360
  360   1HD   ARG  52          2HD       ARG  52  -1.252  -4.458   5.692
  361   2HD   ARG  52          1HD       ARG  52  -1.771  -3.810   7.247
  362    HE   ARG  52           HE       ARG  52  -2.195  -6.615   6.413
  363   1HH1  ARG  52          2HH1      ARG  52  -1.487  -4.200   8.850
  364   2HH1  ARG  52          1HH1      ARG  52  -1.310  -5.359  10.132
  365   1HH2  ARG  52          2HH2      ARG  52  -1.933  -8.156   8.097
  366   2HH2  ARG  52          1HH2      ARG  52  -1.531  -7.603   9.697
  367    H    CYS  53           H        CYS  53  -4.661  -4.316   1.958
  368    HA   CYS  53           HA       CYS  53  -7.363  -3.856   2.592
  369   1HB   CYS  53          2HB       CYS  53  -7.105  -3.263  -0.106
  370   2HB   CYS  53          1HB       CYS  53  -6.888  -2.153   1.240
  371    H    THR  54           H        THR  54  -5.861  -6.446   1.015
  372    HA   THR  54           HA       THR  54  -8.085  -7.214  -0.617
  373    HB   THR  54           HB       THR  54  -6.490  -9.454  -0.278
  374    HG1  THR  54           1HG      THR  54  -4.637  -7.371  -0.632
  375   1HG2  THR  54          1HG2      THR  54  -6.287  -7.182  -2.248
  376   2HG2  THR  54          2HG2      THR  54  -7.293  -8.624  -2.402
  377   3HG2  THR  54          3HG2      THR  54  -5.535  -8.762  -2.463
  378    H    CYS  55           H        CYS  55  -9.913  -7.644   0.490
  379    HA   CYS  55           HA       CYS  55  -9.764  -9.637   2.657
  380   1HB   CYS  55          2HB       CYS  55 -12.035  -7.716   2.584
  381   2HB   CYS  55          1HB       CYS  55 -11.214  -8.432   3.968
  382    HG   CYS  55           HG       CYS  55  -9.633  -6.077   2.079
  383    HA   PRO  56           HA       PRO  56 -12.550 -12.063   0.257
  384   1HB   PRO  56          2HB       PRO  56 -13.982 -13.346   2.189
  385   2HB   PRO  56          1HB       PRO  56 -12.307 -13.750   1.793
  386   1HG   PRO  56          2HG       PRO  56 -13.377 -12.072   4.029
  387   2HG   PRO  56          1HG       PRO  56 -12.074 -13.276   4.057
  388   1HD   PRO  56          2HD       PRO  56 -11.594 -10.615   3.970
  389   2HD   PRO  56          1HD       PRO  56 -10.523 -11.802   3.198
  390    H    ALA  57           H        ALA  57 -13.805  -9.824   2.584
  391    HA   ALA  57           HA       ALA  57 -16.538 -10.061   1.627
  392   1HB   ALA  57          1HB       ALA  57 -15.339  -9.260   4.045
  393   2HB   ALA  57          2HB       ALA  57 -16.179  -7.851   3.398
  394   3HB   ALA  57          3HB       ALA  57 -17.059  -9.357   3.661
  395    H    LEU  58           H        LEU  58 -13.832  -8.518   0.570
  396    HA   LEU  58           HA       LEU  58 -15.381  -6.749  -1.099
  397   1HB   LEU  58          2HB       LEU  58 -14.810  -5.463   1.039
  398   2HB   LEU  58          1HB       LEU  58 -13.143  -5.525   0.498
  399    HG   LEU  58           HG       LEU  58 -14.150  -4.481  -1.706
  400   1HD1  LEU  58          1HD1      LEU  58 -16.335  -4.088  -1.556
  401   2HD1  LEU  58          2HD1      LEU  58 -16.346  -4.350   0.187
  402   3HD1  LEU  58          3HD1      LEU  58 -15.909  -2.770  -0.462
  403   1HD2  LEU  58          1HD2      LEU  58 -12.965  -2.724  -1.054
  404   2HD2  LEU  58          2HD2      LEU  58 -14.087  -2.368   0.259
  405   3HD2  LEU  58          3HD2      LEU  58 -12.777  -3.523   0.508
  406    H    LYS  59           H        LYS  59 -14.675  -7.676  -2.915
  407    HA   LYS  59           HA       LYS  59 -11.817  -8.195  -3.254
  408   1HB   LYS  59          2HB       LYS  59 -14.240  -8.971  -4.880
  409   2HB   LYS  59          1HB       LYS  59 -12.590  -9.328  -5.371
  410   1HG   LYS  59          2HG       LYS  59 -13.150 -10.191  -2.657
  411   2HG   LYS  59          1HG       LYS  59 -14.227 -10.930  -3.843
  412   1HD   LYS  59          2HD       LYS  59 -11.333 -10.832  -4.486
  413   2HD   LYS  59          1HD       LYS  59 -11.853 -11.963  -3.237
  414   1HE   LYS  59          2HE       LYS  59 -12.486 -13.380  -4.822
  415   2HE   LYS  59          1HE       LYS  59 -13.681 -12.205  -5.370
  416   1HZ   LYS  59          1HZ       LYS  59 -12.274 -11.403  -7.000
  417   2HZ   LYS  59          2HZ       LYS  59 -11.933 -13.066  -7.020
  418   3HZ   LYS  59          3HZ       LYS  59 -10.875 -11.995  -6.241
  419    H    GLY  60           H        GLY  60 -10.900  -7.723  -5.458
  420   1HA   GLY  60          1HA       GLY  60 -11.582  -4.958  -6.181
  421   2HA   GLY  60          2HA       GLY  60 -10.104  -5.809  -6.619
  422    H    LYS  61           H        LYS  61 -11.486  -8.210  -7.424
  423    HA   LYS  61           HA       LYS  61 -13.257  -7.431  -9.572
  424   1HB   LYS  61          2HB       LYS  61 -10.858  -7.264 -10.451
  425   2HB   LYS  61          1HB       LYS  61 -10.779  -9.009 -10.264
  426   1HG   LYS  61          2HG       LYS  61 -11.324  -8.143 -12.571
  427   2HG   LYS  61          1HG       LYS  61 -12.413  -9.369 -11.919
  428   1HD   LYS  61          2HD       LYS  61 -13.571  -7.044 -11.060
  429   2HD   LYS  61          1HD       LYS  61 -12.927  -6.581 -12.638
  430   1HE   LYS  61          2HE       LYS  61 -14.944  -7.396 -13.303
  431   2HE   LYS  61          1HE       LYS  61 -14.016  -8.895 -13.339
  432   1HZ   LYS  61          1HZ       LYS  61 -14.816  -9.127 -10.920
  433   2HZ   LYS  61          2HZ       LYS  61 -15.904  -9.473 -12.174
  434   3HZ   LYS  61          3HZ       LYS  61 -15.999  -7.992 -11.354
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -7.909  10.304  -1.751
    2   2H    GLY   1          2H        GLY   1  -7.153   8.792  -1.754
    3   3H    GLY   1          3H        GLY   1  -6.386  10.124  -1.027
    4   1HA   GLY   1          2HA       GLY   1  -8.537   8.433  -0.022
    5   2HA   GLY   1          1HA       GLY   1  -7.187   9.158   0.839
    6    HA   PRO   2           HA       PRO   2 -10.212  12.055   2.335
    7   1HB   PRO   2          2HB       PRO   2  -8.024  13.672   3.354
    8   2HB   PRO   2          1HB       PRO   2  -9.188  12.695   4.250
    9   1HG   PRO   2          2HG       PRO   2  -6.545  12.073   4.062
   10   2HG   PRO   2          1HG       PRO   2  -7.822  10.861   4.275
   11   1HD   PRO   2          2HD       PRO   2  -6.367  11.668   1.784
   12   2HD   PRO   2          1HD       PRO   2  -6.847  10.048   2.337
   13    H    LEU   3           H        LEU   3 -10.264  12.520  -0.140
   14    HA   LEU   3           HA       LEU   3  -9.831  15.391  -0.459
   15   1HB   LEU   3          2HB       LEU   3  -8.537  13.245  -2.069
   16   2HB   LEU   3          1HB       LEU   3  -9.130  14.651  -2.932
   17    HG   LEU   3           HG       LEU   3  -7.168  14.763  -0.637
   18   1HD1  LEU   3          1HD1      LEU   3  -6.510  13.686  -2.944
   19   2HD1  LEU   3          2HD1      LEU   3  -6.432  15.371  -3.455
   20   3HD1  LEU   3          3HD1      LEU   3  -5.426  14.807  -2.120
   21   1HD2  LEU   3          1HD2      LEU   3  -7.999  16.870  -0.619
   22   2HD2  LEU   3          2HD2      LEU   3  -6.866  17.071  -1.956
   23   3HD2  LEU   3          3HD2      LEU   3  -8.575  16.775  -2.284
   24    H    GLY   4           H        GLY   4 -12.159  13.966   0.078
   25   1HA   GLY   4          1HA       GLY   4 -14.361  14.154  -0.679
   26   2HA   GLY   4          2HA       GLY   4 -13.756  14.629  -2.260
   27    H    SER   5           H        SER   5 -14.913  13.212  -3.497
   28    HA   SER   5           HA       SER   5 -15.045  10.403  -2.897
   29   1HB   SER   5          2HB       SER   5 -15.601  11.447  -5.644
   30   2HB   SER   5          1HB       SER   5 -16.486  10.250  -4.695
   31    HG   SER   5           HG       SER   5 -17.173  12.015  -3.339
   32    H    ASP   6           H        ASP   6 -12.896   9.748  -2.726
   33    HA   ASP   6           HA       ASP   6 -11.312   9.867  -5.207
   34   1HB   ASP   6          2HB       ASP   6 -10.540  10.897  -2.883
   35   2HB   ASP   6          1HB       ASP   6 -10.055   9.233  -2.576
   36    H    HIS   7           H        HIS   7  -9.788   8.027  -5.479
   37    HA   HIS   7           HA       HIS   7 -11.166   5.512  -4.852
   38   1HB   HIS   7          2HB       HIS   7 -10.508   6.274  -7.268
   39   2HB   HIS   7          1HB       HIS   7  -8.897   5.731  -6.806
   40    HD2  HIS   7           2HD      HIS   7  -8.475   3.065  -6.949
   41    HE1  HIS   7           1HE      HIS   7 -12.492   1.978  -7.718
   42    HE2  HIS   7           2HE      HIS   7 -10.106   1.130  -7.530
   43    H    HIS   8           H        HIS   8  -7.756   6.142  -5.578
   44    HA   HIS   8           HA       HIS   8  -7.015   4.551  -3.250
   45   1HB   HIS   8          2HB       HIS   8  -4.757   4.547  -4.175
   46   2HB   HIS   8          1HB       HIS   8  -5.916   4.030  -5.392
   47    HD2  HIS   8           2HD      HIS   8  -2.869   5.884  -5.500
   48    HE1  HIS   8           1HE      HIS   8  -5.429   8.132  -8.008
   49    HE2  HIS   8           2HE      HIS   8  -3.015   7.534  -7.506
   50    H    MET   9           H        MET   9  -4.715   5.535  -2.365
   51    HA   MET   9           HA       MET   9  -5.496   8.191  -1.377
   52   1HB   MET   9          2HB       MET   9  -3.443   6.385  -0.116
   53   2HB   MET   9          1HB       MET   9  -4.294   7.740   0.612
   54   1HG   MET   9          2HG       MET   9  -5.849   6.384   1.383
   55   2HG   MET   9          1HG       MET   9  -6.218   5.834  -0.250
   56   1HE   MET   9          1HE       MET   9  -6.637   2.878   0.809
   57   2HE   MET   9          2HE       MET   9  -5.925   2.946   2.421
   58   3HE   MET   9          3HE       MET   9  -6.930   4.277   1.843
   59    H    GLU  10           H        GLU  10  -3.910   9.807  -1.098
   60    HA   GLU  10           HA       GLU  10  -1.845   9.814  -3.141
   61   1HB   GLU  10          2HB       GLU  10  -1.823  12.069  -1.284
   62   2HB   GLU  10          1HB       GLU  10  -1.991  12.063  -3.032
   63   1HG   GLU  10          2HG       GLU  10  -3.946  13.058  -2.236
   64   2HG   GLU  10          1HG       GLU  10  -4.416  11.411  -2.651
   65    H    PHE  11           H        PHE  11  -2.046   8.462  -0.283
   66    HA   PHE  11           HA       PHE  11   0.800   8.632   0.292
   67   1HB   PHE  11          2HB       PHE  11   0.414   9.086   2.668
   68   2HB   PHE  11          1HB       PHE  11  -0.241  10.393   1.686
   69    HD1  PHE  11           1HD      PHE  11  -2.759  10.335   1.190
   70    HD2  PHE  11           2HD      PHE  11  -0.918   8.010   4.237
   71    HE1  PHE  11           1HE      PHE  11  -4.936  10.063   2.293
   72    HE2  PHE  11           2HE      PHE  11  -3.092   7.734   5.345
   73    HZ   PHE  11           HZ       PHE  11  -5.106   8.761   4.373
   74    H    CYS  12           H        CYS  12   1.298   7.007   2.120
   75    HA   CYS  12           HA       CYS  12  -0.175   4.562   1.519
   76   1HB   CYS  12          2HB       CYS  12   1.792   3.540   1.851
   77   2HB   CYS  12          1HB       CYS  12   2.527   5.119   2.087
   78    HG   CYS  12           HG       CYS  12   2.993   4.943   4.608
   79    H    ARG  13           H        ARG  13  -1.780   3.907   2.771
   80    HA   ARG  13           HA       ARG  13  -2.762   5.445   4.851
   81   1HB   ARG  13          2HB       ARG  13  -4.309   3.532   5.293
   82   2HB   ARG  13          1HB       ARG  13  -4.242   4.040   3.613
   83   1HG   ARG  13          2HG       ARG  13  -3.794   1.963   3.018
   84   2HG   ARG  13          1HG       ARG  13  -2.300   2.020   3.955
   85   1HD   ARG  13          2HD       ARG  13  -3.454   0.183   4.825
   86   2HD   ARG  13          1HD       ARG  13  -3.764   1.479   5.980
   87    HE   ARG  13           HE       ARG  13  -5.696   0.640   3.903
   88   1HH1  ARG  13          2HH1      ARG  13  -4.948   1.658   7.173
   89   2HH1  ARG  13          1HH1      ARG  13  -6.622   1.776   7.648
   90   1HH2  ARG  13          2HH2      ARG  13  -7.872   0.748   4.532
   91   2HH2  ARG  13          1HH2      ARG  13  -8.282   1.232   6.151
   92    H    VAL  14           H        VAL  14  -0.196   3.284   5.050
   93    HA   VAL  14           HA       VAL  14  -0.669   2.387   7.737
   94    HB   VAL  14           HB       VAL  14   1.939   2.286   6.219
   95   1HG1  VAL  14          1HG1      VAL  14   1.160   0.176   8.122
   96   2HG1  VAL  14          2HG1      VAL  14   2.728   0.936   7.847
   97   3HG1  VAL  14          3HG1      VAL  14   1.509   1.754   8.826
   98   1HG2  VAL  14          1HG2      VAL  14   0.985  -0.192   5.933
   99   2HG2  VAL  14          2HG2      VAL  14  -0.544   0.686   5.948
  100   3HG2  VAL  14          3HG2      VAL  14   0.689   1.081   4.749
  101    H    CYS  15           H        CYS  15   2.085   4.264   6.446
  102    HA   CYS  15           HA       CYS  15   2.454   5.448   9.061
  103   1HB   CYS  15          2HB       CYS  15   4.594   6.134   8.322
  104   2HB   CYS  15          1HB       CYS  15   4.343   4.538   7.629
  105    H    LYS  16           H        LYS  16   0.600   6.183   6.485
  106    HA   LYS  16           HA       LYS  16  -0.605   7.980   5.847
  107   1HB   LYS  16          2HB       LYS  16   0.463   8.999   8.457
  108   2HB   LYS  16          1HB       LYS  16  -0.478  10.048   7.404
  109   1HG   LYS  16          2HG       LYS  16  -1.856   7.575   7.653
  110   2HG   LYS  16          1HG       LYS  16  -1.400   8.129   9.266
  111   1HD   LYS  16          2HD       LYS  16  -2.479  10.203   7.482
  112   2HD   LYS  16          1HD       LYS  16  -3.621   8.940   7.946
  113   1HE   LYS  16          2HE       LYS  16  -3.946  10.212   9.765
  114   2HE   LYS  16          1HE       LYS  16  -2.441   9.488  10.330
  115   1HZ   LYS  16          1HZ       LYS  16  -1.807  11.676   8.703
  116   2HZ   LYS  16          2HZ       LYS  16  -1.538  11.492  10.369
  117   3HZ   LYS  16          3HZ       LYS  16  -2.984  12.185   9.814
  118    H    ASP  17           H        ASP  17   2.494   7.710   5.435
  119    HA   ASP  17           HA       ASP  17   3.033  10.436   4.510
  120   1HB   ASP  17          2HB       ASP  17   4.650   8.586   5.740
  121   2HB   ASP  17          1HB       ASP  17   5.080   8.385   4.047
  122    H    GLY  18           H        GLY  18   3.640  10.884   2.375
  123   1HA   GLY  18          1HA       GLY  18   2.623   8.947   0.409
  124   2HA   GLY  18          2HA       GLY  18   2.902  10.662   0.118
  125    H    GLY  19           H        GLY  19   4.056   9.975  -1.802
  126   1HA   GLY  19          1HA       GLY  19   6.433  10.292  -2.387
  127   2HA   GLY  19          2HA       GLY  19   6.812   9.103  -1.150
  128    H    GLU  20           H        GLU  20   7.534   7.332  -2.091
  129    HA   GLU  20           HA       GLU  20   6.504   6.493  -4.680
  130   1HB   GLU  20          2HB       GLU  20   8.914   6.013  -3.129
  131   2HB   GLU  20          1HB       GLU  20   8.224   4.514  -3.736
  132   1HG   GLU  20          2HG       GLU  20   9.748   6.491  -5.121
  133   2HG   GLU  20          1HG       GLU  20   9.201   4.911  -5.676
  134    H    LEU  21           H        LEU  21   4.465   5.815  -4.354
  135    HA   LEU  21           HA       LEU  21   4.003   3.808  -2.269
  136   1HB   LEU  21          2HB       LEU  21   1.854   5.199  -3.841
  137   2HB   LEU  21          1HB       LEU  21   1.737   4.430  -2.269
  138    HG   LEU  21           HG       LEU  21   3.443   6.866  -2.648
  139   1HD1  LEU  21          1HD1      LEU  21   0.487   6.681  -2.589
  140   2HD1  LEU  21          2HD1      LEU  21   1.243   7.950  -1.626
  141   3HD1  LEU  21          3HD1      LEU  21   1.534   7.870  -3.364
  142   1HD2  LEU  21          1HD2      LEU  21   2.675   7.143  -0.228
  143   2HD2  LEU  21          2HD2      LEU  21   2.110   5.477  -0.347
  144   3HD2  LEU  21          3HD2      LEU  21   3.820   5.848  -0.574
  145    H    LEU  22           H        LEU  22   2.908   1.922  -2.689
  146    HA   LEU  22           HA       LEU  22   2.955   1.033  -5.486
  147   1HB   LEU  22          2HB       LEU  22   3.252  -0.323  -2.860
  148   2HB   LEU  22          1HB       LEU  22   2.416  -1.213  -4.115
  149    HG   LEU  22           HG       LEU  22   4.645  -1.911  -4.262
  150   1HD1  LEU  22          1HD1      LEU  22   5.036   0.126  -6.317
  151   2HD1  LEU  22          2HD1      LEU  22   4.934  -1.629  -6.461
  152   3HD1  LEU  22          3HD1      LEU  22   3.461  -0.662  -6.380
  153   1HD2  LEU  22          1HD2      LEU  22   5.192   0.614  -3.165
  154   2HD2  LEU  22          2HD2      LEU  22   6.313  -0.720  -3.436
  155   3HD2  LEU  22          3HD2      LEU  22   6.091   0.511  -4.679
  156    H    CYS  23           H        CYS  23   1.094   0.790  -6.514
  157    HA   CYS  23           HA       CYS  23  -1.390   1.190  -5.046
  158   1HB   CYS  23          2HB       CYS  23  -0.842   0.969  -8.015
  159   2HB   CYS  23          1HB       CYS  23  -2.411   1.326  -7.301
  160    HG   CYS  23           HG       CYS  23   0.305   3.334  -7.610
  161    H    CYS  24           H        CYS  24  -2.909  -0.328  -4.758
  162    HA   CYS  24           HA       CYS  24  -2.298  -2.987  -4.594
  163   1HB   CYS  24          2HB       CYS  24  -4.905  -1.531  -4.853
  164   2HB   CYS  24          1HB       CYS  24  -4.856  -3.277  -4.669
  165    H    ASP  25           H        ASP  25  -3.270  -4.828  -5.706
  166    HA   ASP  25           HA       ASP  25  -3.162  -4.522  -8.606
  167   1HB   ASP  25          2HB       ASP  25  -2.002  -6.416  -7.325
  168   2HB   ASP  25          1HB       ASP  25  -3.610  -7.100  -7.108
  169    H    THR  26           H        THR  26  -5.462  -4.275  -6.255
  170    HA   THR  26           HA       THR  26  -7.595  -4.573  -8.171
  171    HB   THR  26           HB       THR  26  -7.710  -6.811  -7.548
  172    HG1  THR  26           1HG      THR  26  -9.759  -6.096  -7.266
  173   1HG2  THR  26          1HG2      THR  26  -7.730  -7.397  -4.995
  174   2HG2  THR  26          2HG2      THR  26  -6.859  -5.871  -4.845
  175   3HG2  THR  26          3HG2      THR  26  -6.202  -7.166  -5.844
  176    H    CYS  27           H        CYS  27  -6.943  -4.202  -4.674
  177    HA   CYS  27           HA       CYS  27  -9.277  -2.665  -4.220
  178   1HB   CYS  27          2HB       CYS  27  -7.280  -2.348  -2.175
  179   2HB   CYS  27          1HB       CYS  27  -8.792  -3.252  -2.122
  180    HA   PRO  28           HA       PRO  28  -7.615   1.380  -4.870
  181   1HB   PRO  28          2HB       PRO  28  -9.327   2.874  -3.485
  182   2HB   PRO  28          1HB       PRO  28  -9.898   1.815  -4.781
  183   1HG   PRO  28          2HG       PRO  28 -10.080   1.475  -1.833
  184   2HG   PRO  28          1HG       PRO  28 -11.206   0.953  -3.097
  185   1HD   PRO  28          2HD       PRO  28  -9.232  -0.621  -1.806
  186   2HD   PRO  28          1HD       PRO  28 -10.219  -1.083  -3.205
  187    H    SER  29           H        SER  29  -5.929   0.168  -2.913
  188    HA   SER  29           HA       SER  29  -5.551   2.368  -0.989
  189   1HB   SER  29          2HB       SER  29  -4.064   0.095  -0.183
  190   2HB   SER  29          1HB       SER  29  -5.507   0.767   0.579
  191    HG   SER  29           HG       SER  29  -5.344  -1.232  -1.433
  192    H    SER  30           H        SER  30  -3.355   2.884  -0.384
  193    HA   SER  30           HA       SER  30  -1.337   2.180  -2.397
  194   1HB   SER  30          2HB       SER  30  -1.124   4.867  -1.165
  195   2HB   SER  30          1HB       SER  30  -0.777   4.351  -2.815
  196    HG   SER  30           HG       SER  30  -2.597   5.726  -2.722
  197    H    TYR  31           H        TYR  31   0.515   1.433  -1.537
  198    HA   TYR  31           HA       TYR  31   0.942   1.837   1.360
  199   1HB   TYR  31          2HB       TYR  31   1.418  -0.651  -0.297
  200   2HB   TYR  31          1HB       TYR  31   1.903  -0.465   1.383
  201    HD1  TYR  31           1HD      TYR  31  -0.523  -1.795  -0.698
  202    HD2  TYR  31           2HD      TYR  31  -0.122   0.332   2.961
  203    HE1  TYR  31           1HE      TYR  31  -2.713  -2.634   0.022
  204    HE2  TYR  31           2HE      TYR  31  -2.316  -0.493   3.689
  205    HH   TYR  31           HH       TYR  31  -4.245  -2.658   1.606
  206    H    HIS  32           H        HIS  32   3.191   1.380   2.040
  207    HA   HIS  32           HA       HIS  32   5.155   2.211   0.010
  208   1HB   HIS  32          2HB       HIS  32   5.099   2.441   3.001
  209   2HB   HIS  32          1HB       HIS  32   6.649   2.274   2.190
  210    HD2  HIS  32           2HD      HIS  32   6.579   4.358  -0.135
  211    HE1  HIS  32           1HE      HIS  32   5.052   7.080   2.731
  212    HE2  HIS  32           2HE      HIS  32   6.382   6.852   0.572
  213    H    ILE  33           H        ILE  33   7.045   0.870  -0.179
  214    HA   ILE  33           HA       ILE  33   6.527  -1.866  -0.146
  215    HB   ILE  33           HB       ILE  33   9.192  -1.949  -0.181
  216   1HG1  ILE  33          2HG1      ILE  33   8.573   0.872  -1.088
  217   1HG2  ILE  33          1HG2      ILE  33   7.238  -1.169  -2.306
  218   2HG2  ILE  33          2HG2      ILE  33   8.951  -1.338  -2.685
  219   3HG2  ILE  33          3HG2      ILE  33   8.048  -2.713  -2.046
  220   1HD1  ILE  33          1HD1      ILE  33  10.411  -0.052  -2.338
  221   2HD1  ILE  33          2HD1      ILE  33  11.018   1.122  -1.171
  222   3HD1  ILE  33          3HD1      ILE  33  11.181  -0.604  -0.852
  223    H    HIS  34           H        HIS  34   8.183   0.137   2.247
  224    HA   HIS  34           HA       HIS  34   8.606  -2.245   3.893
  225   1HB   HIS  34          2HB       HIS  34  10.195  -0.896   5.175
  226   2HB   HIS  34          1HB       HIS  34  10.589  -0.878   3.462
  227    HD2  HIS  34           2HD      HIS  34   9.254   1.613   2.248
  228    HE1  HIS  34           1HE      HIS  34  10.413   3.735   5.719
  229    HE2  HIS  34           2HE      HIS  34   9.493   3.946   3.362
  230    H    CYS  35           H        CYS  35   6.061  -0.489   3.551
  231    HA   CYS  35           HA       CYS  35   5.659   0.061   6.406
  232   1HB   CYS  35          2HB       CYS  35   4.338   1.144   3.936
  233   2HB   CYS  35          1HB       CYS  35   3.524   1.236   5.498
  234    H    LEU  36           H        LEU  36   5.328  -2.384   4.389
  235    HA   LEU  36           HA       LEU  36   2.778  -3.334   5.479
  236   1HB   LEU  36          2HB       LEU  36   4.566  -4.711   3.476
  237   2HB   LEU  36          1HB       LEU  36   2.915  -5.134   3.890
  238    HG   LEU  36           HG       LEU  36   3.301  -2.403   2.836
  239   1HD1  LEU  36          1HD1      LEU  36   4.367  -4.688   1.443
  240   2HD1  LEU  36          2HD1      LEU  36   3.043  -3.951   0.541
  241   3HD1  LEU  36          3HD1      LEU  36   4.434  -2.976   1.018
  242   1HD2  LEU  36          1HD2      LEU  36   1.091  -2.714   2.853
  243   2HD2  LEU  36          2HD2      LEU  36   1.339  -3.694   1.407
  244   3HD2  LEU  36          3HD2      LEU  36   1.249  -4.464   2.992
  245    H    ARG  37           H        ARG  37   2.848  -5.674   6.253
  246    HA   ARG  37           HA       ARG  37   4.732  -5.907   8.348
  247   1HB   ARG  37          2HB       ARG  37   2.718  -7.785   7.165
  248   2HB   ARG  37          1HB       ARG  37   3.859  -8.358   8.375
  249   1HG   ARG  37          2HG       ARG  37   2.770  -5.954   9.361
  250   2HG   ARG  37          1HG       ARG  37   1.429  -6.916   8.736
  251   1HD   ARG  37          2HD       ARG  37   3.522  -7.894  10.675
  252   2HD   ARG  37          1HD       ARG  37   1.894  -7.369  11.109
  253    HE   ARG  37           HE       ARG  37   1.069  -9.253   9.743
  254   1HH1  ARG  37          2HH1      ARG  37   4.364  -9.336  10.919
  255   2HH1  ARG  37          1HH1      ARG  37   4.490 -11.070  10.816
  256   1HH2  ARG  37          2HH2      ARG  37   1.233 -11.512   9.573
  257   2HH2  ARG  37          1HH2      ARG  37   2.704 -12.316  10.051
  258    HA   PRO  38           HA       PRO  38   7.219  -8.889   5.551
  259   1HB   PRO  38          2HB       PRO  38   6.089  -9.086   2.928
  260   2HB   PRO  38          1HB       PRO  38   6.211 -10.355   4.147
  261   1HG   PRO  38          2HG       PRO  38   3.841  -9.255   3.261
  262   2HG   PRO  38          1HG       PRO  38   4.053 -10.080   4.816
  263   1HD   PRO  38          2HD       PRO  38   4.035  -7.145   4.212
  264   2HD   PRO  38          1HD       PRO  38   3.312  -8.019   5.581
  265    H    ALA  39           H        ALA  39   7.760  -6.430   5.876
  266    HA   ALA  39           HA       ALA  39   7.661  -4.548   3.915
  267   1HB   ALA  39          1HB       ALA  39   9.403  -3.374   5.063
  268   2HB   ALA  39          2HB       ALA  39   8.388  -4.184   6.255
  269   3HB   ALA  39          3HB       ALA  39   9.962  -4.859   5.833
  270    H    LEU  40           H        LEU  40   8.722  -4.006   2.133
  271    HA   LEU  40           HA       LEU  40  10.973  -5.704   1.280
  272   1HB   LEU  40          2HB       LEU  40   9.251  -4.076  -0.573
  273   2HB   LEU  40          1HB       LEU  40  10.324  -5.403  -0.972
  274    HG   LEU  40           HG       LEU  40   8.348  -6.412   0.799
  275   1HD1  LEU  40          1HD1      LEU  40   7.329  -4.236  -0.662
  276   2HD1  LEU  40          2HD1      LEU  40   6.720  -5.696  -1.442
  277   3HD1  LEU  40          3HD1      LEU  40   6.431  -5.428   0.276
  278   1HD2  LEU  40          1HD2      LEU  40   7.710  -7.512  -1.535
  279   2HD2  LEU  40          2HD2      LEU  40   9.277  -6.836  -1.982
  280   3HD2  LEU  40          3HD2      LEU  40   9.157  -7.971  -0.639
  281    H    TYR  41           H        TYR  41  12.717  -4.663   0.211
  282    HA   TYR  41           HA       TYR  41  12.961  -1.808   0.910
  283   1HB   TYR  41          2HB       TYR  41  14.873  -4.096   0.910
  284   2HB   TYR  41          1HB       TYR  41  15.509  -2.503   0.521
  285    HD1  TYR  41           1HD      TYR  41  12.810  -2.041   2.725
  286    HD2  TYR  41           2HD      TYR  41  16.864  -3.332   2.646
  287    HE1  TYR  41           1HE      TYR  41  13.013  -1.532   5.119
  288    HE2  TYR  41           2HE      TYR  41  17.071  -2.842   5.046
  289    HH   TYR  41           HH       TYR  41  14.325  -2.048   7.012
  290    H    GLU  42           H        GLU  42  12.335  -3.761  -1.604
  291    HA   GLU  42           HA       GLU  42  13.511  -1.877  -3.530
  292   1HB   GLU  42          2HB       GLU  42  14.467  -4.341  -3.352
  293   2HB   GLU  42          1HB       GLU  42  13.045  -4.724  -4.309
  294   1HG   GLU  42          2HG       GLU  42  13.828  -2.894  -5.897
  295   2HG   GLU  42          1HG       GLU  42  15.363  -2.967  -5.032
  296    H    VAL  43           H        VAL  43  12.207  -1.296  -5.243
  297    HA   VAL  43           HA       VAL  43   9.383  -1.679  -4.815
  298    HB   VAL  43           HB       VAL  43  10.670   0.464  -5.658
  299   1HG1  VAL  43          1HG1      VAL  43   9.769  -0.125  -8.356
  300   2HG1  VAL  43          2HG1      VAL  43  11.272   0.612  -7.797
  301   3HG1  VAL  43          3HG1      VAL  43  11.115  -1.143  -7.845
  302   1HG2  VAL  43          1HG2      VAL  43   8.124  -0.066  -5.331
  303   2HG2  VAL  43          2HG2      VAL  43   8.641   1.393  -6.177
  304   3HG2  VAL  43          3HG2      VAL  43   8.106  -0.015  -7.094
  305    HA   PRO  44           HA       PRO  44   8.940  -5.220  -7.423
  306   1HB   PRO  44          2HB       PRO  44   6.182  -4.241  -7.890
  307   2HB   PRO  44          1HB       PRO  44   6.729  -5.772  -7.201
  308   1HG   PRO  44          2HG       PRO  44   5.647  -3.887  -5.660
  309   2HG   PRO  44          1HG       PRO  44   7.006  -4.869  -5.081
  310   1HD   PRO  44          2HD       PRO  44   7.004  -2.063  -6.127
  311   2HD   PRO  44          1HD       PRO  44   7.898  -2.752  -4.756
  312    H    ASP  45           H        ASP  45   8.575  -5.821  -9.618
  313    HA   ASP  45           HA       ASP  45   9.276  -3.772 -11.498
  314   1HB   ASP  45          2HB       ASP  45  10.266  -5.852 -11.943
  315   2HB   ASP  45          1HB       ASP  45   8.760  -6.728 -11.689
  316    H    GLY  46           H        GLY  46   6.408  -5.763 -10.885
  317   1HA   GLY  46          1HA       GLY  46   4.631  -3.744 -11.772
  318   2HA   GLY  46          2HA       GLY  46   4.859  -4.930 -13.046
  319    H    GLU  47           H        GLU  47   4.995  -7.281 -11.729
  320    HA   GLU  47           HA       GLU  47   2.246  -7.699 -11.047
  321   1HB   GLU  47          2HB       GLU  47   4.646  -9.398 -11.470
  322   2HB   GLU  47          1HB       GLU  47   3.333 -10.082 -10.521
  323   1HG   GLU  47          2HG       GLU  47   2.063  -8.980 -12.710
  324   2HG   GLU  47          1HG       GLU  47   3.545  -9.666 -13.375
  325    H    TRP  48           H        TRP  48   2.098  -6.371  -9.144
  326    HA   TRP  48           HA       TRP  48   3.299  -7.594  -6.751
  327   1HB   TRP  48          2HB       TRP  48   3.936  -5.226  -7.152
  328   2HB   TRP  48          1HB       TRP  48   2.236  -4.777  -7.077
  329    HD1  TRP  48           HD       TRP  48   4.758  -6.600  -4.743
  330    HE1  TRP  48           1HE      TRP  48   4.317  -5.815  -2.335
  331    HE3  TRP  48           3HE      TRP  48   0.785  -3.483  -5.611
  332    HZ2  TRP  48           2HZ      TRP  48   2.526  -4.109  -0.976
  333    HZ3  TRP  48           3HZ      TRP  48  -0.219  -2.309  -3.698
  334    HH2  TRP  48           HH       TRP  48   0.630  -2.619  -1.430
  335    H    GLN  49           H        GLN  49   2.017  -7.996  -4.974
  336    HA   GLN  49           HA       GLN  49  -0.858  -7.561  -5.216
  337   1HB   GLN  49          2HB       GLN  49   0.341 -10.099  -5.493
  338   2HB   GLN  49          1HB       GLN  49  -0.350 -10.062  -3.876
  339   1HG   GLN  49          2HG       GLN  49  -2.045  -9.090  -6.097
  340   2HG   GLN  49          1HG       GLN  49  -1.730 -10.822  -6.012
  341   1HE2  GLN  49          1HE2      GLN  49  -3.220  -8.103  -4.459
  342   2HE2  GLN  49          2HE2      GLN  49  -4.130  -9.003  -3.296
  343    H    CYS  50           H        CYS  50  -1.728  -6.855  -3.343
  344    HA   CYS  50           HA       CYS  50   0.085  -5.970  -1.381
  345   1HB   CYS  50          2HB       CYS  50  -2.342  -5.461  -0.304
  346   2HB   CYS  50          1HB       CYS  50  -1.572  -4.458  -1.531
  347    HA   PRO  51           HA       PRO  51  -0.404  -9.484   1.394
  348   1HB   PRO  51          2HB       PRO  51   1.690  -8.914   2.947
  349   2HB   PRO  51          1HB       PRO  51   1.925  -9.546   1.312
  350   1HG   PRO  51          2HG       PRO  51   2.150  -6.734   2.308
  351   2HG   PRO  51          1HG       PRO  51   3.183  -7.599   1.157
  352   1HD   PRO  51          2HD       PRO  51   1.160  -5.841   0.466
  353   2HD   PRO  51          1HD       PRO  51   1.827  -7.091  -0.603
  354    H    ARG  52           H        ARG  52  -2.012  -7.098   1.559
  355    HA   ARG  52           HA       ARG  52  -2.134  -6.755   4.476
  356   1HB   ARG  52          2HB       ARG  52  -1.482  -4.748   2.531
  357   2HB   ARG  52          1HB       ARG  52  -3.019  -4.345   3.284
  358   1HG   ARG  52          2HG       ARG  52  -0.394  -4.829   4.673
  359   2HG   ARG  52          1HG       ARG  52  -1.242  -3.290   4.497
  360   1HD   ARG  52          2HD       ARG  52  -2.644  -5.570   5.812
  361   2HD   ARG  52          1HD       ARG  52  -1.407  -4.696   6.717
  362    HE   ARG  52           HE       ARG  52  -3.938  -3.588   5.702
  363   1HH1  ARG  52          2HH1      ARG  52  -1.004  -3.206   7.577
  364   2HH1  ARG  52          1HH1      ARG  52  -1.605  -1.850   8.486
  365   1HH2  ARG  52          2HH2      ARG  52  -4.739  -1.795   6.877
  366   2HH2  ARG  52          1HH2      ARG  52  -3.725  -1.040   8.074
  367    H    CYS  53           H        CYS  53  -3.968  -5.509   1.674
  368    HA   CYS  53           HA       CYS  53  -6.442  -5.843   2.987
  369   1HB   CYS  53          2HB       CYS  53  -6.669  -5.673   0.111
  370   2HB   CYS  53          1HB       CYS  53  -7.134  -4.499   1.339
  371    H    THR  54           H        THR  54  -4.687  -7.775   0.636
  372    HA   THR  54           HA       THR  54  -6.846  -9.767   0.709
  373    HB   THR  54           HB       THR  54  -5.518 -10.709  -1.319
  374    HG1  THR  54           1HG      THR  54  -4.666  -7.981  -1.377
  375   1HG2  THR  54          1HG2      THR  54  -6.686  -9.044  -2.834
  376   2HG2  THR  54          2HG2      THR  54  -7.183  -8.202  -1.366
  377   3HG2  THR  54          3HG2      THR  54  -7.706  -9.862  -1.651
  378    H    CYS  55           H        CYS  55  -5.848 -12.084   0.276
  379    HA   CYS  55           HA       CYS  55  -4.179 -12.604   2.566
  380   1HB   CYS  55          2HB       CYS  55  -4.842 -14.784   0.660
  381   2HB   CYS  55          1HB       CYS  55  -4.925 -14.762   2.420
  382    HG   CYS  55           HG       CYS  55  -7.245 -13.662   0.174
  383    HA   PRO  56           HA       PRO  56  -0.435 -12.475   0.112
  384   1HB   PRO  56          2HB       PRO  56   0.965 -13.124   2.576
  385   2HB   PRO  56          1HB       PRO  56   0.978 -11.615   1.660
  386   1HG   PRO  56          2HG       PRO  56  -0.181 -11.862   4.112
  387   2HG   PRO  56          1HG       PRO  56  -0.730 -10.706   2.886
  388   1HD   PRO  56          2HD       PRO  56  -1.873 -13.369   3.628
  389   2HD   PRO  56          1HD       PRO  56  -2.712 -11.851   3.238
  390    H    ALA  57           H        ALA  57  -1.456 -14.634  -0.667
  391    HA   ALA  57           HA       ALA  57  -0.037 -16.937   0.471
  392   1HB   ALA  57          1HB       ALA  57  -2.624 -16.556  -0.871
  393   2HB   ALA  57          2HB       ALA  57  -1.756 -18.026  -1.311
  394   3HB   ALA  57          3HB       ALA  57  -2.148 -17.706   0.378
  395    H    LEU  58           H        LEU  58   0.785 -14.773  -1.641
  396    HA   LEU  58           HA       LEU  58   2.386 -16.599  -3.187
  397   1HB   LEU  58          2HB       LEU  58   0.008 -16.057  -4.314
  398   2HB   LEU  58          1HB       LEU  58   0.905 -14.662  -4.878
  399    HG   LEU  58           HG       LEU  58   2.470 -16.036  -6.053
  400   1HD1  LEU  58          1HD1      LEU  58   1.241 -18.625  -5.605
  401   2HD1  LEU  58          2HD1      LEU  58   2.940 -18.153  -5.550
  402   3HD1  LEU  58          3HD1      LEU  58   1.918 -17.937  -4.129
  403   1HD2  LEU  58          1HD2      LEU  58   0.393 -15.605  -7.225
  404   2HD2  LEU  58          2HD2      LEU  58   0.984 -17.220  -7.620
  405   3HD2  LEU  58          3HD2      LEU  58  -0.348 -17.022  -6.481
  406    H    LYS  59           H        LYS  59   3.540 -15.072  -4.977
  407    HA   LYS  59           HA       LYS  59   4.984 -13.395  -5.411
  408   1HB   LYS  59          2HB       LYS  59   2.893 -12.069  -4.043
  409   2HB   LYS  59          1HB       LYS  59   4.405 -11.447  -3.397
  410   1HG   LYS  59          2HG       LYS  59   4.549 -10.115  -5.157
  411   2HG   LYS  59          1HG       LYS  59   4.746 -11.543  -6.175
  412   1HD   LYS  59          2HD       LYS  59   1.974 -11.092  -5.451
  413   2HD   LYS  59          1HD       LYS  59   2.674  -9.705  -6.288
  414   1HE   LYS  59          2HE       LYS  59   2.982 -10.859  -8.226
  415   2HE   LYS  59          1HE       LYS  59   3.214 -12.400  -7.402
  416   1HZ   LYS  59          1HZ       LYS  59   1.159 -12.519  -8.527
  417   2HZ   LYS  59          2HZ       LYS  59   0.658 -11.003  -7.956
  418   3HZ   LYS  59          3HZ       LYS  59   0.777 -12.315  -6.885
  419    H    GLY  60           H        GLY  60   4.582 -13.024  -1.877
  420   1HA   GLY  60          1HA       GLY  60   7.234 -14.157  -1.490
  421   2HA   GLY  60          2HA       GLY  60   7.065 -12.454  -1.091
  422    H    LYS  61           H        LYS  61   6.111 -15.707  -0.273
  423    HA   LYS  61           HA       LYS  61   5.285 -14.711   2.374
  424   1HB   LYS  61          2HB       LYS  61   3.389 -15.657   1.056
  425   2HB   LYS  61          1HB       LYS  61   4.248 -17.191   0.983
  426   1HG   LYS  61          2HG       LYS  61   2.582 -17.296   2.701
  427   2HG   LYS  61          1HG       LYS  61   4.178 -17.305   3.452
  428   1HD   LYS  61          2HD       LYS  61   3.427 -14.605   3.245
  429   2HD   LYS  61          1HD       LYS  61   2.002 -15.467   3.824
  430   1HE   LYS  61          2HE       LYS  61   3.062 -14.997   5.806
  431   2HE   LYS  61          1HE       LYS  61   3.707 -16.599   5.448
  432   1HZ   LYS  61          1HZ       LYS  61   5.098 -14.093   4.680
  433   2HZ   LYS  61          2HZ       LYS  61   5.725 -15.670   4.692
  434   3HZ   LYS  61          3HZ       LYS  61   5.370 -14.883   6.154
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -14.515   0.611  14.128
    2   2H    GLY   1          2H        GLY   1 -15.100   0.103  15.636
    3   3H    GLY   1          3H        GLY   1 -16.186   0.451  14.382
    4   1HA   GLY   1          2HA       GLY   1 -15.381  -2.009  15.009
    5   2HA   GLY   1          1HA       GLY   1 -15.943  -1.532  13.412
    6    HA   PRO   2           HA       PRO   2 -11.420  -3.056  13.433
    7   1HB   PRO   2          2HB       PRO   2 -11.824  -5.436  12.163
    8   2HB   PRO   2          1HB       PRO   2 -11.797  -5.262  13.920
    9   1HG   PRO   2          2HG       PRO   2 -14.147  -5.425  12.076
   10   2HG   PRO   2          1HG       PRO   2 -13.902  -6.205  13.650
   11   1HD   PRO   2          2HD       PRO   2 -15.406  -3.984  13.362
   12   2HD   PRO   2          1HD       PRO   2 -14.444  -4.290  14.822
   13    H    LEU   3           H        LEU   3 -14.073  -3.010  11.160
   14    HA   LEU   3           HA       LEU   3 -12.186  -2.641   8.936
   15   1HB   LEU   3          2HB       LEU   3 -14.972  -3.666   9.133
   16   2HB   LEU   3          1HB       LEU   3 -14.529  -2.798   7.674
   17    HG   LEU   3           HG       LEU   3 -12.455  -4.621   8.052
   18   1HD1  LEU   3          1HD1      LEU   3 -13.248  -6.306   9.257
   19   2HD1  LEU   3          2HD1      LEU   3 -14.860  -5.590   9.312
   20   3HD1  LEU   3          3HD1      LEU   3 -14.393  -6.612   7.952
   21   1HD2  LEU   3          1HD2      LEU   3 -14.816  -4.395   6.238
   22   2HD2  LEU   3          2HD2      LEU   3 -13.100  -4.193   5.882
   23   3HD2  LEU   3          3HD2      LEU   3 -13.762  -5.806   6.136
   24    H    GLY   4           H        GLY   4 -12.188  -0.806   7.742
   25   1HA   GLY   4          1HA       GLY   4 -14.204   1.246   8.362
   26   2HA   GLY   4          2HA       GLY   4 -12.497   1.658   8.483
   27    H    SER   5           H        SER   5 -13.845   3.171   6.785
   28    HA   SER   5           HA       SER   5 -13.878   2.049   4.127
   29   1HB   SER   5          2HB       SER   5 -13.977   4.992   4.568
   30   2HB   SER   5          1HB       SER   5 -14.952   3.979   3.502
   31    HG   SER   5           HG       SER   5 -15.757   4.952   5.718
   32    H    ASP   6           H        ASP   6 -11.490   1.468   4.791
   33    HA   ASP   6           HA       ASP   6  -9.598   3.588   4.163
   34   1HB   ASP   6          2HB       ASP   6  -9.478   0.943   5.423
   35   2HB   ASP   6          1HB       ASP   6  -8.144   1.246   4.316
   36    H    HIS   7           H        HIS   7 -10.784   3.668   1.994
   37    HA   HIS   7           HA       HIS   7  -9.627   1.691   0.139
   38   1HB   HIS   7          2HB       HIS   7 -12.270   2.274   0.497
   39   2HB   HIS   7          1HB       HIS   7 -11.859   3.365  -0.821
   40    HD2  HIS   7           2HD      HIS   7 -11.631   2.229  -3.269
   41    HE1  HIS   7           1HE      HIS   7 -12.043  -1.781  -1.984
   42    HE2  HIS   7           2HE      HIS   7 -11.706  -0.266  -3.990
   43    H    HIS   8           H        HIS   8 -10.643   5.098   0.303
   44    HA   HIS   8           HA       HIS   8  -8.674   5.732  -1.776
   45   1HB   HIS   8          2HB       HIS   8 -10.853   6.573  -2.292
   46   2HB   HIS   8          1HB       HIS   8 -11.046   7.247  -0.679
   47    HD2  HIS   8           2HD      HIS   8  -8.737   7.944  -3.813
   48    HE1  HIS   8           1HE      HIS   8  -9.373  11.526  -1.650
   49    HE2  HIS   8           2HE      HIS   8  -8.410  10.521  -3.771
   50    H    MET   9           H        MET   9  -6.794   6.575  -1.232
   51    HA   MET   9           HA       MET   9  -6.571   8.663   0.677
   52   1HB   MET   9          2HB       MET   9  -4.915   7.544   2.176
   53   2HB   MET   9          1HB       MET   9  -6.554   6.936   2.343
   54   1HG   MET   9          2HG       MET   9  -5.300   5.327   0.411
   55   2HG   MET   9          1HG       MET   9  -4.148   5.529   1.732
   56   1HE   MET   9          1HE       MET   9  -5.874   1.987   2.213
   57   2HE   MET   9          2HE       MET   9  -6.203   2.760   0.662
   58   3HE   MET   9          3HE       MET   9  -4.587   2.843   1.364
   59    H    GLU  10           H        GLU  10  -5.009   9.979   0.030
   60    HA   GLU  10           HA       GLU  10  -3.251   9.111  -2.124
   61   1HB   GLU  10          2HB       GLU  10  -3.822  11.804  -0.879
   62   2HB   GLU  10          1HB       GLU  10  -2.599  11.568  -2.121
   63   1HG   GLU  10          2HG       GLU  10  -5.405  10.666  -2.592
   64   2HG   GLU  10          1HG       GLU  10  -4.971  12.364  -2.782
   65    H    PHE  11           H        PHE  11  -2.698   7.868   0.252
   66    HA   PHE  11           HA       PHE  11   0.062   8.432   0.647
   67   1HB   PHE  11          2HB       PHE  11  -0.036   9.020   3.028
   68   2HB   PHE  11          1HB       PHE  11  -0.870  10.229   2.059
   69    HD1  PHE  11           1HD      PHE  11  -3.291  10.444   2.155
   70    HD2  PHE  11           2HD      PHE  11  -1.233   7.620   4.571
   71    HE1  PHE  11           1HE      PHE  11  -5.301  10.183   3.548
   72    HE2  PHE  11           2HE      PHE  11  -3.239   7.347   5.969
   73    HZ   PHE  11           HZ       PHE  11  -5.279   8.629   5.457
   74    H    CYS  12           H        CYS  12   0.984   6.927   2.297
   75    HA   CYS  12           HA       CYS  12  -0.318   4.356   2.055
   76   1HB   CYS  12          2HB       CYS  12   1.773   3.580   2.228
   77   2HB   CYS  12          1HB       CYS  12   2.339   5.239   2.358
   78    HG   CYS  12           HG       CYS  12   3.160   5.124   4.755
   79    H    ARG  13           H        ARG  13  -1.731   3.602   3.467
   80    HA   ARG  13           HA       ARG  13  -2.570   5.195   5.615
   81   1HB   ARG  13          2HB       ARG  13  -4.308   3.616   5.946
   82   2HB   ARG  13          1HB       ARG  13  -3.996   3.677   4.218
   83   1HG   ARG  13          2HG       ARG  13  -3.324   1.529   4.129
   84   2HG   ARG  13          1HG       ARG  13  -2.509   1.610   5.694
   85   1HD   ARG  13          2HD       ARG  13  -4.549   1.338   6.869
   86   2HD   ARG  13          1HD       ARG  13  -5.503   1.572   5.406
   87    HE   ARG  13           HE       ARG  13  -3.781  -0.666   5.126
   88   1HH1  ARG  13          2HH1      ARG  13  -6.789   0.381   6.605
   89   2HH1  ARG  13          1HH1      ARG  13  -7.416  -1.237   6.756
   90   1HH2  ARG  13          2HH2      ARG  13  -4.609  -2.797   5.337
   91   2HH2  ARG  13          1HH2      ARG  13  -6.183  -3.033   6.055
   92    H    VAL  14           H        VAL  14   0.186   3.863   5.817
   93    HA   VAL  14           HA       VAL  14  -0.142   2.691   8.494
   94    HB   VAL  14           HB       VAL  14   2.404   2.685   6.875
   95   1HG1  VAL  14          1HG1      VAL  14   1.446   1.268   9.337
   96   2HG1  VAL  14          2HG1      VAL  14   2.754   0.610   8.354
   97   3HG1  VAL  14          3HG1      VAL  14   2.921   2.203   9.093
   98   1HG2  VAL  14          1HG2      VAL  14   1.353   1.325   5.439
   99   2HG2  VAL  14          2HG2      VAL  14   1.474   0.125   6.724
  100   3HG2  VAL  14          3HG2      VAL  14  -0.007   1.061   6.530
  101    H    CYS  15           H        CYS  15   2.396   4.591   6.882
  102    HA   CYS  15           HA       CYS  15   2.931   5.998   9.346
  103   1HB   CYS  15          2HB       CYS  15   4.967   6.648   8.357
  104   2HB   CYS  15          1HB       CYS  15   4.673   5.025   7.743
  105    H    LYS  16           H        LYS  16   0.916   6.483   6.765
  106    HA   LYS  16           HA       LYS  16  -0.461   8.175   6.164
  107   1HB   LYS  16          2HB       LYS  16   0.728   9.284   8.626
  108   2HB   LYS  16          1HB       LYS  16   0.056  10.461   7.506
  109   1HG   LYS  16          2HG       LYS  16  -1.912  10.056   8.440
  110   2HG   LYS  16          1HG       LYS  16  -1.876   8.485   7.635
  111   1HD   LYS  16          2HD       LYS  16  -0.294   8.435  10.042
  112   2HD   LYS  16          1HD       LYS  16  -1.933   8.989  10.388
  113   1HE   LYS  16          2HE       LYS  16  -1.582   6.612   8.635
  114   2HE   LYS  16          1HE       LYS  16  -1.314   6.423  10.368
  115   1HZ   LYS  16          1HZ       LYS  16  -3.492   6.536  10.773
  116   2HZ   LYS  16          2HZ       LYS  16  -3.720   6.306   9.110
  117   3HZ   LYS  16          3HZ       LYS  16  -3.715   7.873   9.752
  118    H    ASP  17           H        ASP  17   2.741   8.081   5.646
  119    HA   ASP  17           HA       ASP  17   3.013  10.628   4.276
  120   1HB   ASP  17          2HB       ASP  17   4.806   8.782   5.332
  121   2HB   ASP  17          1HB       ASP  17   4.978   8.591   3.591
  122    H    GLY  18           H        GLY  18   3.062  10.891   2.014
  123   1HA   GLY  18          1HA       GLY  18   2.290   8.538   0.432
  124   2HA   GLY  18          2HA       GLY  18   1.229   9.940   0.444
  125    H    GLY  19           H        GLY  19   4.768   9.516   0.149
  126   1HA   GLY  19          1HA       GLY  19   4.877  11.495  -1.951
  127   2HA   GLY  19          2HA       GLY  19   6.221  10.530  -1.351
  128    H    GLU  20           H        GLU  20   6.022   8.129  -1.909
  129    HA   GLU  20           HA       GLU  20   4.987   7.837  -4.656
  130   1HB   GLU  20          2HB       GLU  20   7.557   6.948  -3.413
  131   2HB   GLU  20          1HB       GLU  20   6.839   5.951  -4.671
  132   1HG   GLU  20          2HG       GLU  20   7.147   7.531  -6.298
  133   2HG   GLU  20          1HG       GLU  20   7.167   8.866  -5.148
  134    H    LEU  21           H        LEU  21   3.119   6.778  -4.397
  135    HA   LEU  21           HA       LEU  21   2.927   4.709  -2.347
  136   1HB   LEU  21          2HB       LEU  21   0.936   6.287  -3.929
  137   2HB   LEU  21          1HB       LEU  21   0.446   4.811  -3.125
  138    HG   LEU  21           HG       LEU  21  -0.010   6.093  -1.357
  139   1HD1  LEU  21          1HD1      LEU  21   1.608   6.117   0.208
  140   2HD1  LEU  21          2HD1      LEU  21   2.505   5.207  -1.009
  141   3HD1  LEU  21          3HD1      LEU  21   2.760   6.944  -0.842
  142   1HD2  LEU  21          1HD2      LEU  21   1.555   8.437  -1.536
  143   2HD2  LEU  21          2HD2      LEU  21   0.966   8.066  -3.157
  144   3HD2  LEU  21          3HD2      LEU  21  -0.175   8.248  -1.823
  145    H    LEU  22           H        LEU  22   3.203   2.682  -2.838
  146    HA   LEU  22           HA       LEU  22   2.760   1.726  -5.569
  147   1HB   LEU  22          2HB       LEU  22   4.578   0.526  -5.042
  148   2HB   LEU  22          1HB       LEU  22   4.441   0.931  -3.344
  149    HG   LEU  22           HG       LEU  22   2.478  -0.947  -3.600
  150   1HD1  LEU  22          1HD1      LEU  22   4.763  -1.938  -5.284
  151   2HD1  LEU  22          2HD1      LEU  22   3.233  -2.744  -4.942
  152   3HD1  LEU  22          3HD1      LEU  22   3.262  -1.310  -5.968
  153   1HD2  LEU  22          1HD2      LEU  22   4.569  -0.631  -2.039
  154   2HD2  LEU  22          2HD2      LEU  22   3.779  -2.200  -2.192
  155   3HD2  LEU  22          3HD2      LEU  22   5.262  -1.867  -3.087
  156    H    CYS  23           H        CYS  23   1.108   0.328  -6.070
  157    HA   CYS  23           HA       CYS  23  -0.759  -0.364  -3.900
  158   1HB   CYS  23          2HB       CYS  23  -1.935   0.263  -6.545
  159   2HB   CYS  23          1HB       CYS  23  -2.556   0.591  -4.931
  160    HG   CYS  23           HG       CYS  23   0.071   2.470  -5.346
  161    H    CYS  24           H        CYS  24  -2.208  -2.155  -4.420
  162    HA   CYS  24           HA       CYS  24  -0.750  -4.254  -5.715
  163   1HB   CYS  24          2HB       CYS  24  -3.007  -5.463  -5.010
  164   2HB   CYS  24          1HB       CYS  24  -1.774  -5.047  -3.820
  165    H    ASP  25           H        ASP  25  -2.994  -5.797  -6.502
  166    HA   ASP  25           HA       ASP  25  -3.562  -4.577  -9.110
  167   1HB   ASP  25          2HB       ASP  25  -2.542  -6.946  -8.806
  168   2HB   ASP  25          1HB       ASP  25  -4.167  -7.420  -8.342
  169    H    THR  26           H        THR  26  -5.066  -6.067  -6.328
  170    HA   THR  26           HA       THR  26  -7.667  -5.924  -7.548
  171    HB   THR  26           HB       THR  26  -8.042  -7.008  -5.055
  172    HG1  THR  26           1HG      THR  26  -6.032  -7.327  -4.342
  173   1HG2  THR  26          1HG2      THR  26  -7.994  -9.147  -6.212
  174   2HG2  THR  26          2HG2      THR  26  -7.047  -8.440  -7.524
  175   3HG2  THR  26          3HG2      THR  26  -8.715  -7.924  -7.263
  176    H    CYS  27           H        CYS  27  -5.903  -4.067  -5.220
  177    HA   CYS  27           HA       CYS  27  -8.345  -2.518  -4.746
  178   1HB   CYS  27          2HB       CYS  27  -6.556  -2.447  -2.453
  179   2HB   CYS  27          1HB       CYS  27  -8.292  -2.716  -2.512
  180    HA   PRO  28           HA       PRO  28  -5.560   0.915  -5.442
  181   1HB   PRO  28          2HB       PRO  28  -6.982   2.943  -4.449
  182   2HB   PRO  28          1HB       PRO  28  -7.549   2.043  -5.860
  183   1HG   PRO  28          2HG       PRO  28  -8.470   1.909  -3.031
  184   2HG   PRO  28          1HG       PRO  28  -9.401   1.726  -4.526
  185   1HD   PRO  28          2HD       PRO  28  -8.424  -0.350  -2.898
  186   2HD   PRO  28          1HD       PRO  28  -9.077  -0.518  -4.539
  187    H    SER  29           H        SER  29  -5.145  -0.685  -3.003
  188    HA   SER  29           HA       SER  29  -4.842   0.967  -0.748
  189   1HB   SER  29          2HB       SER  29  -3.042  -1.308  -0.755
  190   2HB   SER  29          1HB       SER  29  -4.465  -1.012   0.246
  191    HG   SER  29           HG       SER  29  -4.218  -2.414  -2.161
  192    H    SER  30           H        SER  30  -3.630   2.754  -1.003
  193    HA   SER  30           HA       SER  30  -1.117   2.727  -2.365
  194   1HB   SER  30          2HB       SER  30  -1.697   5.019  -0.621
  195   2HB   SER  30          1HB       SER  30  -1.382   4.976  -2.358
  196    HG   SER  30           HG       SER  30  -3.602   5.592  -1.547
  197    H    TYR  31           H        TYR  31   0.662   1.910  -1.495
  198    HA   TYR  31           HA       TYR  31   1.089   2.239   1.403
  199   1HB   TYR  31          2HB       TYR  31   1.232  -0.211  -0.307
  200   2HB   TYR  31          1HB       TYR  31   2.278  -0.080   1.102
  201    HD1  TYR  31           1HD      TYR  31  -0.772  -1.276  -0.021
  202    HD2  TYR  31           2HD      TYR  31   0.963   0.730   3.301
  203    HE1  TYR  31           1HE      TYR  31  -2.600  -2.081   1.410
  204    HE2  TYR  31           2HE      TYR  31  -0.859  -0.067   4.744
  205    HH   TYR  31           HH       TYR  31  -2.520  -2.269   4.557
  206    H    HIS  32           H        HIS  32   3.378   1.622   1.990
  207    HA   HIS  32           HA       HIS  32   5.286   2.653   0.000
  208   1HB   HIS  32          2HB       HIS  32   5.212   2.838   2.995
  209   2HB   HIS  32          1HB       HIS  32   6.763   2.839   2.166
  210    HD2  HIS  32           2HD      HIS  32   6.303   4.874  -0.208
  211    HE1  HIS  32           1HE      HIS  32   4.746   7.460   2.758
  212    HE2  HIS  32           2HE      HIS  32   5.968   7.343   0.531
  213    H    ILE  33           H        ILE  33   7.290   1.467  -0.145
  214    HA   ILE  33           HA       ILE  33   6.882  -1.320  -0.108
  215    HB   ILE  33           HB       ILE  33   9.087  -1.550  -0.973
  216   1HG1  ILE  33          2HG1      ILE  33   9.672   1.318  -0.225
  217   1HG2  ILE  33          1HG2      ILE  33   7.617   0.888  -1.887
  218   2HG2  ILE  33          2HG2      ILE  33   9.118   0.397  -2.670
  219   3HG2  ILE  33          3HG2      ILE  33   7.734  -0.698  -2.652
  220   1HD1  ILE  33          1HD1      ILE  33  11.319   0.991  -1.699
  221   2HD1  ILE  33          2HD1      ILE  33  12.058   0.059  -0.396
  222   3HD1  ILE  33          3HD1      ILE  33  11.145  -0.763  -1.662
  223    H    HIS  34           H        HIS  34   8.122   0.835   2.273
  224    HA   HIS  34           HA       HIS  34   9.237  -1.414   3.800
  225   1HB   HIS  34          2HB       HIS  34  10.473   0.394   5.052
  226   2HB   HIS  34          1HB       HIS  34  10.914   0.220   3.357
  227    HD2  HIS  34           2HD      HIS  34  10.139   2.941   5.751
  228    HE1  HIS  34           1HE      HIS  34   9.122   4.460   1.938
  229    HE2  HIS  34           2HE      HIS  34   9.767   5.069   4.309
  230    H    CYS  35           H        CYS  35   6.422   0.190   3.684
  231    HA   CYS  35           HA       CYS  35   6.185   0.552   6.576
  232   1HB   CYS  35          2HB       CYS  35   4.492   1.495   4.268
  233   2HB   CYS  35          1HB       CYS  35   3.982   1.659   5.948
  234    H    LEU  36           H        LEU  36   5.920  -1.978   4.716
  235    HA   LEU  36           HA       LEU  36   3.490  -2.996   6.029
  236   1HB   LEU  36          2HB       LEU  36   4.882  -4.380   3.763
  237   2HB   LEU  36          1HB       LEU  36   3.231  -4.578   4.317
  238    HG   LEU  36           HG       LEU  36   3.796  -1.878   3.360
  239   1HD1  LEU  36          1HD1      LEU  36   3.493  -3.100   0.944
  240   2HD1  LEU  36          2HD1      LEU  36   5.013  -2.467   1.579
  241   3HD1  LEU  36          3HD1      LEU  36   4.624  -4.177   1.762
  242   1HD2  LEU  36          1HD2      LEU  36   1.776  -3.654   2.134
  243   2HD2  LEU  36          2HD2      LEU  36   1.595  -3.304   3.854
  244   3HD2  LEU  36          3HD2      LEU  36   1.639  -1.984   2.685
  245    H    ARG  37           H        ARG  37   3.638  -5.347   6.594
  246    HA   ARG  37           HA       ARG  37   5.974  -5.839   8.184
  247   1HB   ARG  37          2HB       ARG  37   3.448  -7.332   7.613
  248   2HB   ARG  37          1HB       ARG  37   4.807  -8.195   8.320
  249   1HG   ARG  37          2HG       ARG  37   4.038  -7.522  10.286
  250   2HG   ARG  37          1HG       ARG  37   4.639  -5.918   9.858
  251   1HD   ARG  37          2HD       ARG  37   2.202  -6.045   8.578
  252   2HD   ARG  37          1HD       ARG  37   1.904  -6.893  10.095
  253    HE   ARG  37           HE       ARG  37   2.454  -4.075   9.737
  254   1HH1  ARG  37          2HH1      ARG  37   2.344  -6.770  11.987
  255   2HH1  ARG  37          1HH1      ARG  37   2.278  -5.749  13.398
  256   1HH2  ARG  37          2HH2      ARG  37   2.324  -2.739  11.586
  257   2HH2  ARG  37          1HH2      ARG  37   2.250  -3.465  13.165
  258    HA   PRO  38           HA       PRO  38   7.104  -8.913   4.676
  259   1HB   PRO  38          2HB       PRO  38   5.246  -8.713   2.493
  260   2HB   PRO  38          1HB       PRO  38   5.550 -10.108   3.530
  261   1HG   PRO  38          2HG       PRO  38   3.193  -8.686   3.485
  262   2HG   PRO  38          1HG       PRO  38   3.750  -9.665   4.851
  263   1HD   PRO  38          2HD       PRO  38   3.923  -6.705   4.445
  264   2HD   PRO  38          1HD       PRO  38   3.540  -7.621   5.919
  265    H    ALA  39           H        ALA  39   8.019  -6.518   4.959
  266    HA   ALA  39           HA       ALA  39   7.604  -4.636   2.939
  267   1HB   ALA  39          1HB       ALA  39   9.027  -3.334   4.105
  268   2HB   ALA  39          2HB       ALA  39   8.843  -4.595   5.325
  269   3HB   ALA  39          3HB       ALA  39  10.241  -4.606   4.250
  270    H    LEU  40           H        LEU  40   8.944  -3.905   1.282
  271    HA   LEU  40           HA       LEU  40  10.662  -5.979   0.097
  272   1HB   LEU  40          2HB       LEU  40   9.308  -3.724  -1.379
  273   2HB   LEU  40          1HB       LEU  40  10.103  -5.127  -2.067
  274    HG   LEU  40           HG       LEU  40   8.098  -6.214  -0.483
  275   1HD1  LEU  40          1HD1      LEU  40   7.374  -3.584  -0.810
  276   2HD1  LEU  40          2HD1      LEU  40   6.526  -4.396  -2.126
  277   3HD1  LEU  40          3HD1      LEU  40   6.280  -4.922  -0.461
  278   1HD2  LEU  40          1HD2      LEU  40   7.035  -6.701  -2.690
  279   2HD2  LEU  40          2HD2      LEU  40   8.234  -5.644  -3.436
  280   3HD2  LEU  40          3HD2      LEU  40   8.749  -7.107  -2.600
  281    H    TYR  41           H        TYR  41  12.646  -5.343  -0.771
  282    HA   TYR  41           HA       TYR  41  13.683  -2.899   0.440
  283   1HB   TYR  41          2HB       TYR  41  15.054  -5.289  -0.799
  284   2HB   TYR  41          1HB       TYR  41  15.917  -3.866  -0.214
  285    HD1  TYR  41           1HD      TYR  41  14.445  -3.217   2.235
  286    HD2  TYR  41           2HD      TYR  41  15.617  -7.002   0.688
  287    HE1  TYR  41           1HE      TYR  41  14.406  -4.149   4.509
  288    HE2  TYR  41           2HE      TYR  41  15.595  -7.944   2.961
  289    HH   TYR  41           HH       TYR  41  14.353  -6.117   5.694
  290    H    GLU  42           H        GLU  42  12.279  -3.671  -2.373
  291    HA   GLU  42           HA       GLU  42  13.483  -1.345  -3.653
  292   1HB   GLU  42          2HB       GLU  42  13.854  -4.006  -4.621
  293   2HB   GLU  42          1HB       GLU  42  12.781  -3.168  -5.732
  294   1HG   GLU  42          2HG       GLU  42  15.619  -2.594  -5.042
  295   2HG   GLU  42          1HG       GLU  42  14.846  -2.710  -6.621
  296    H    VAL  43           H        VAL  43  12.008  -0.606  -5.501
  297    HA   VAL  43           HA       VAL  43   9.292  -0.747  -4.464
  298    HB   VAL  43           HB       VAL  43  10.252   1.464  -4.928
  299   1HG1  VAL  43          1HG1      VAL  43  10.979   0.274  -7.423
  300   2HG1  VAL  43          2HG1      VAL  43   9.979   1.697  -7.715
  301   3HG1  VAL  43          3HG1      VAL  43  11.449   1.835  -6.752
  302   1HG2  VAL  43          1HG2      VAL  43   8.191   1.634  -6.914
  303   2HG2  VAL  43          2HG2      VAL  43   7.712   0.521  -5.632
  304   3HG2  VAL  43          3HG2      VAL  43   8.179   2.176  -5.236
  305    HA   PRO  44           HA       PRO  44   8.307  -3.729  -7.592
  306   1HB   PRO  44          2HB       PRO  44   5.624  -3.748  -6.469
  307   2HB   PRO  44          1HB       PRO  44   6.860  -5.007  -6.408
  308   1HG   PRO  44          2HG       PRO  44   6.067  -3.599  -4.221
  309   2HG   PRO  44          1HG       PRO  44   7.699  -4.264  -4.408
  310   1HD   PRO  44          2HD       PRO  44   6.736  -1.461  -4.835
  311   2HD   PRO  44          1HD       PRO  44   8.230  -2.035  -4.063
  312    H    ASP  45           H        ASP  45   8.102  -2.821  -9.560
  313    HA   ASP  45           HA       ASP  45   5.812  -1.034 -10.040
  314   1HB   ASP  45          2HB       ASP  45   8.343  -0.461 -10.590
  315   2HB   ASP  45          1HB       ASP  45   8.002  -1.392 -12.045
  316    H    GLY  46           H        GLY  46   6.316  -4.146 -10.101
  317   1HA   GLY  46          1HA       GLY  46   5.100  -4.613 -12.744
  318   2HA   GLY  46          2HA       GLY  46   6.019  -5.805 -11.837
  319    H    GLU  47           H        GLU  47   5.043  -6.897 -10.114
  320    HA   GLU  47           HA       GLU  47   2.127  -6.533  -9.914
  321   1HB   GLU  47          2HB       GLU  47   3.628  -9.159  -9.867
  322   2HB   GLU  47          1HB       GLU  47   1.893  -8.965  -9.663
  323   1HG   GLU  47          2HG       GLU  47   1.772  -9.361 -11.850
  324   2HG   GLU  47          1HG       GLU  47   2.331  -7.701 -12.042
  325    H    TRP  48           H        TRP  48   1.220  -6.718  -7.898
  326    HA   TRP  48           HA       TRP  48   2.793  -7.571  -5.629
  327   1HB   TRP  48          2HB       TRP  48   3.537  -5.222  -6.007
  328   2HB   TRP  48          1HB       TRP  48   1.871  -4.692  -5.801
  329    HD1  TRP  48           HD       TRP  48   4.473  -6.696  -3.706
  330    HE1  TRP  48           1HE      TRP  48   4.184  -6.011  -1.236
  331    HE3  TRP  48           3HE      TRP  48   0.550  -3.461  -4.223
  332    HZ2  TRP  48           2HZ      TRP  48   2.506  -4.317   0.280
  333    HZ3  TRP  48           3HZ      TRP  48  -0.339  -2.348  -2.217
  334    HH2  TRP  48           HH       TRP  48   0.621  -2.770  -0.012
  335    H    GLN  49           H        GLN  49   1.549  -7.702  -3.685
  336    HA   GLN  49           HA       GLN  49  -1.354  -7.406  -3.980
  337   1HB   GLN  49          2HB       GLN  49  -0.175  -9.841  -4.235
  338   2HB   GLN  49          1HB       GLN  49  -0.408  -9.785  -2.494
  339   1HG   GLN  49          2HG       GLN  49  -2.337 -10.801  -3.221
  340   2HG   GLN  49          1HG       GLN  49  -2.830  -9.114  -3.079
  341   1HE2  GLN  49          1HE2      GLN  49  -3.956  -8.382  -4.696
  342   2HE2  GLN  49          2HE2      GLN  49  -3.881  -8.944  -6.338
  343    H    CYS  50           H        CYS  50  -2.156  -6.308  -2.282
  344    HA   CYS  50           HA       CYS  50  -0.472  -5.784   0.004
  345   1HB   CYS  50          2HB       CYS  50  -1.986  -4.097   0.589
  346   2HB   CYS  50          1HB       CYS  50  -2.075  -4.113  -1.168
  347    HA   PRO  51           HA       PRO  51  -2.240  -8.742   2.775
  348   1HB   PRO  51          2HB       PRO  51  -2.407  -6.803   4.954
  349   2HB   PRO  51          1HB       PRO  51  -1.314  -8.176   4.766
  350   1HG   PRO  51          2HG       PRO  51  -0.467  -5.611   4.610
  351   2HG   PRO  51          1HG       PRO  51   0.285  -6.926   3.689
  352   1HD   PRO  51          2HD       PRO  51  -1.697  -4.870   2.776
  353   2HD   PRO  51          1HD       PRO  51  -0.252  -5.491   1.948
  354    H    ARG  52           H        ARG  52  -3.964  -6.189   1.650
  355    HA   ARG  52           HA       ARG  52  -6.375  -6.897   3.197
  356   1HB   ARG  52          2HB       ARG  52  -5.379  -4.515   3.323
  357   2HB   ARG  52          1HB       ARG  52  -5.999  -4.323   1.691
  358   1HG   ARG  52          2HG       ARG  52  -8.256  -5.042   2.696
  359   2HG   ARG  52          1HG       ARG  52  -7.505  -4.672   4.250
  360   1HD   ARG  52          2HD       ARG  52  -8.153  -2.563   3.900
  361   2HD   ARG  52          1HD       ARG  52  -6.856  -2.487   2.709
  362    HE   ARG  52           HE       ARG  52  -9.674  -2.494   2.206
  363   1HH1  ARG  52          2HH1      ARG  52  -6.539  -3.263   0.842
  364   2HH1  ARG  52          1HH1      ARG  52  -7.109  -3.270  -0.796
  365   1HH2  ARG  52          2HH2      ARG  52 -10.415  -2.470   0.039
  366   2HH2  ARG  52          1HH2      ARG  52  -9.308  -2.830  -1.248
  367    H    CYS  53           H        CYS  53  -4.912  -7.463   0.349
  368    HA   CYS  53           HA       CYS  53  -6.830  -6.986  -1.641
  369   1HB   CYS  53          2HB       CYS  53  -4.550  -8.887  -1.298
  370   2HB   CYS  53          1HB       CYS  53  -5.678  -9.167  -2.616
  371    H    THR  54           H        THR  54  -6.390  -9.633   0.629
  372    HA   THR  54           HA       THR  54  -8.643 -11.092  -0.500
  373    HB   THR  54           HB       THR  54  -7.889 -12.712   1.449
  374    HG1  THR  54           1HG      THR  54  -5.457 -11.329   0.901
  375   1HG2  THR  54          1HG2      THR  54  -6.209 -13.692  -0.109
  376   2HG2  THR  54          2HG2      THR  54  -6.352 -12.243  -1.104
  377   3HG2  THR  54          3HG2      THR  54  -7.745 -13.303  -0.886
  378    H    CYS  55           H        CYS  55  -8.667  -8.565   1.323
  379    HA   CYS  55           HA       CYS  55 -10.495  -9.633   3.366
  380   1HB   CYS  55          2HB       CYS  55  -9.251  -6.885   3.365
  381   2HB   CYS  55          1HB       CYS  55 -10.022  -7.727   4.707
  382    HG   CYS  55           HG       CYS  55  -7.891  -9.792   4.475
  383    HA   PRO  56           HA       PRO  56 -13.384  -7.550   0.583
  384   1HB   PRO  56          2HB       PRO  56 -15.423  -9.246   0.899
  385   2HB   PRO  56          1HB       PRO  56 -14.004  -9.693  -0.057
  386   1HG   PRO  56          2HG       PRO  56 -14.736 -10.475   2.731
  387   2HG   PRO  56          1HG       PRO  56 -14.001 -11.452   1.448
  388   1HD   PRO  56          2HD       PRO  56 -12.621 -10.236   3.532
  389   2HD   PRO  56          1HD       PRO  56 -11.898 -10.789   2.010
  390    H    ALA  57           H        ALA  57 -16.154  -8.154   1.610
  391    HA   ALA  57           HA       ALA  57 -17.755  -7.169   2.863
  392   1HB   ALA  57          1HB       ALA  57 -15.668  -7.841   4.735
  393   2HB   ALA  57          2HB       ALA  57 -16.532  -6.389   5.245
  394   3HB   ALA  57          3HB       ALA  57 -17.419  -7.882   4.939
  395    H    LEU  58           H        LEU  58 -16.274  -5.591   1.050
  396    HA   LEU  58           HA       LEU  58 -15.799  -3.035   2.343
  397   1HB   LEU  58          2HB       LEU  58 -15.743  -3.701  -0.601
  398   2HB   LEU  58          1HB       LEU  58 -15.078  -2.271   0.168
  399    HG   LEU  58           HG       LEU  58 -14.074  -5.042   0.787
  400   1HD1  LEU  58          1HD1      LEU  58 -12.149  -3.912  -0.769
  401   2HD1  LEU  58          2HD1      LEU  58 -13.323  -5.108  -1.318
  402   3HD1  LEU  58          3HD1      LEU  58 -13.623  -3.391  -1.585
  403   1HD2  LEU  58          1HD2      LEU  58 -13.649  -2.999   2.289
  404   2HD2  LEU  58          2HD2      LEU  58 -12.269  -3.984   1.802
  405   3HD2  LEU  58          3HD2      LEU  58 -12.585  -2.450   0.992
  406    H    LYS  59           H        LYS  59 -18.369  -4.705   0.952
  407    HA   LYS  59           HA       LYS  59 -20.481  -4.187   0.344
  408   1HB   LYS  59          2HB       LYS  59 -19.946  -2.861   2.700
  409   2HB   LYS  59          1HB       LYS  59 -20.620  -1.595   1.682
  410   1HG   LYS  59          2HG       LYS  59 -22.332  -3.691   1.244
  411   2HG   LYS  59          1HG       LYS  59 -21.922  -3.868   2.952
  412   1HD   LYS  59          2HD       LYS  59 -23.549  -2.354   3.281
  413   2HD   LYS  59          1HD       LYS  59 -22.333  -1.183   2.764
  414   1HE   LYS  59          2HE       LYS  59 -23.618  -2.389   0.489
  415   2HE   LYS  59          1HE       LYS  59 -24.815  -1.697   1.581
  416   1HZ   LYS  59          1HZ       LYS  59 -23.578  -0.287  -0.277
  417   2HZ   LYS  59          2HZ       LYS  59 -22.482  -0.049   0.998
  418   3HZ   LYS  59          3HZ       LYS  59 -24.108   0.390   1.185
  419    H    GLY  60           H        GLY  60 -18.853  -3.624  -1.666
  420   1HA   GLY  60          1HA       GLY  60 -19.147  -0.910  -2.610
  421   2HA   GLY  60          2HA       GLY  60 -18.487  -2.268  -3.511
  422    H    LYS  61           H        LYS  61 -21.592  -1.274  -2.109
  423    HA   LYS  61           HA       LYS  61 -22.903  -1.637  -4.674
  424   1HB   LYS  61          2HB       LYS  61 -22.862  -3.769  -2.963
  425   2HB   LYS  61          1HB       LYS  61 -24.339  -2.955  -2.461
  426   1HG   LYS  61          2HG       LYS  61 -24.579  -2.948  -5.183
  427   2HG   LYS  61          1HG       LYS  61 -23.762  -4.485  -4.877
  428   1HD   LYS  61          2HD       LYS  61 -25.920  -5.173  -4.630
  429   2HD   LYS  61          1HD       LYS  61 -25.611  -4.645  -2.974
  430   1HE   LYS  61          2HE       LYS  61 -26.489  -2.451  -4.638
  431   2HE   LYS  61          1HE       LYS  61 -27.648  -3.779  -4.665
  432   1HZ   LYS  61          1HZ       LYS  61 -28.345  -3.182  -2.665
  433   2HZ   LYS  61          2HZ       LYS  61 -27.264  -1.873  -2.667
  434   3HZ   LYS  61          3HZ       LYS  61 -26.787  -3.368  -2.017
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -15.278   7.428  15.226
    2   2H    GLY   1          2H        GLY   1 -15.905   6.358  14.070
    3   3H    GLY   1          3H        GLY   1 -14.270   6.799  14.017
    4   1HA   GLY   1          2HA       GLY   1 -14.036   5.769  16.284
    5   2HA   GLY   1          1HA       GLY   1 -15.631   5.080  16.004
    6    HA   PRO   2           HA       PRO   2 -12.237   2.479  13.991
    7   1HB   PRO   2          2HB       PRO   2 -12.051   0.447  15.750
    8   2HB   PRO   2          1HB       PRO   2 -11.109   1.932  15.924
    9   1HG   PRO   2          2HG       PRO   2 -13.602   1.089  17.340
   10   2HG   PRO   2          1HG       PRO   2 -12.177   1.927  17.976
   11   1HD   PRO   2          2HD       PRO   2 -14.527   3.178  17.304
   12   2HD   PRO   2          1HD       PRO   2 -12.944   3.978  17.325
   13    H    LEU   3           H        LEU   3 -13.872   2.115  12.438
   14    HA   LEU   3           HA       LEU   3 -15.928   0.137  13.001
   15   1HB   LEU   3          2HB       LEU   3 -15.395   1.266  10.282
   16   2HB   LEU   3          1HB       LEU   3 -16.913   0.737  10.978
   17    HG   LEU   3           HG       LEU   3 -15.575   3.117  12.174
   18   1HD1  LEU   3          1HD1      LEU   3 -17.299   4.131  10.245
   19   2HD1  LEU   3          2HD1      LEU   3 -15.537   4.227  10.246
   20   3HD1  LEU   3          3HD1      LEU   3 -16.349   2.911   9.397
   21   1HD2  LEU   3          1HD2      LEU   3 -18.462   2.465  11.596
   22   2HD2  LEU   3          2HD2      LEU   3 -17.639   2.134  13.121
   23   3HD2  LEU   3          3HD2      LEU   3 -17.852   3.798  12.577
   24    H    GLY   4           H        GLY   4 -16.132  -1.854  11.971
   25   1HA   GLY   4          1HA       GLY   4 -13.634  -3.138  11.322
   26   2HA   GLY   4          2HA       GLY   4 -15.224  -3.891  11.343
   27    H    SER   5           H        SER   5 -16.058  -1.512   9.582
   28    HA   SER   5           HA       SER   5 -15.904  -2.800   7.076
   29   1HB   SER   5          2HB       SER   5 -16.337   0.043   6.819
   30   2HB   SER   5          1HB       SER   5 -17.493  -1.273   6.607
   31    HG   SER   5           HG       SER   5 -17.764   0.433   8.398
   32    H    ASP   6           H        ASP   6 -14.206  -2.932   5.769
   33    HA   ASP   6           HA       ASP   6 -11.815  -1.474   6.299
   34   1HB   ASP   6          2HB       ASP   6 -11.927  -3.819   5.363
   35   2HB   ASP   6          1HB       ASP   6 -12.403  -3.101   3.824
   36    H    HIS   7           H        HIS   7 -11.139   0.391   5.514
   37    HA   HIS   7           HA       HIS   7 -12.770   1.660   3.433
   38   1HB   HIS   7          2HB       HIS   7 -12.360   2.724   5.756
   39   2HB   HIS   7          1HB       HIS   7 -10.752   3.092   5.142
   40    HD2  HIS   7           2HD      HIS   7 -11.762   4.002   2.099
   41    HE1  HIS   7           1HE      HIS   7 -13.860   6.932   4.318
   42    HE2  HIS   7           2HE      HIS   7 -12.791   6.389   2.086
   43    H    HIS   8           H        HIS   8 -11.959   1.194   1.511
   44    HA   HIS   8           HA       HIS   8  -9.118   1.103   1.011
   45   1HB   HIS   8          2HB       HIS   8 -10.039   0.971  -1.445
   46   2HB   HIS   8          1HB       HIS   8 -10.189  -0.416  -0.375
   47    HD2  HIS   8           2HD      HIS   8 -12.301   1.561  -2.716
   48    HE1  HIS   8           1HE      HIS   8 -14.984  -0.176   0.054
   49    HE2  HIS   8           2HE      HIS   8 -14.751   0.843  -2.250
   50    H    MET   9           H        MET   9  -7.905   2.790   0.455
   51    HA   MET   9           HA       MET   9  -8.973   5.019  -1.031
   52   1HB   MET   9          2HB       MET   9  -9.651   5.787   1.115
   53   2HB   MET   9          1HB       MET   9  -8.143   5.277   1.857
   54   1HG   MET   9          2HG       MET   9  -7.975   7.585   1.742
   55   2HG   MET   9          1HG       MET   9  -7.021   7.013   0.373
   56   1HE   MET   9          1HE       MET   9  -7.907   9.473  -1.944
   57   2HE   MET   9          2HE       MET   9  -7.916  10.226  -0.349
   58   3HE   MET   9          3HE       MET   9  -6.797   8.905  -0.696
   59    H    GLU  10           H        GLU  10  -7.343   6.245  -2.011
   60    HA   GLU  10           HA       GLU  10  -4.895   4.827  -2.373
   61   1HB   GLU  10          2HB       GLU  10  -6.196   6.089  -4.138
   62   2HB   GLU  10          1HB       GLU  10  -5.574   7.569  -3.418
   63   1HG   GLU  10          2HG       GLU  10  -3.462   7.220  -4.181
   64   2HG   GLU  10          1HG       GLU  10  -3.624   5.465  -4.154
   65    H    PHE  11           H        PHE  11  -3.966   4.933  -0.267
   66    HA   PHE  11           HA       PHE  11  -1.949   6.853  -0.057
   67   1HB   PHE  11          2HB       PHE  11  -2.556   8.223   1.748
   68   2HB   PHE  11          1HB       PHE  11  -4.017   8.175   0.771
   69    HD1  PHE  11           1HD      PHE  11  -2.939   8.192   3.996
   70    HD2  PHE  11           2HD      PHE  11  -5.508   5.953   1.448
   71    HE1  PHE  11           1HE      PHE  11  -4.217   7.437   5.957
   72    HE2  PHE  11           2HE      PHE  11  -6.790   5.193   3.411
   73    HZ   PHE  11           HZ       PHE  11  -6.145   5.934   5.667
   74    H    CYS  12           H        CYS  12  -0.625   6.500   1.960
   75    HA   CYS  12           HA       CYS  12  -0.369   3.724   2.487
   76   1HB   CYS  12          2HB       CYS  12   0.900   6.195   3.592
   77   2HB   CYS  12          1HB       CYS  12   1.111   4.671   4.448
   78    HG   CYS  12           HG       CYS  12   3.160   5.669   2.461
   79    H    ARG  13           H        ARG  13  -1.706   2.582   3.654
   80    HA   ARG  13           HA       ARG  13  -3.693   3.629   5.301
   81   1HB   ARG  13          2HB       ARG  13  -2.550   0.904   4.900
   82   2HB   ARG  13          1HB       ARG  13  -3.651   1.161   6.247
   83   1HG   ARG  13          2HG       ARG  13  -5.382   1.920   4.733
   84   2HG   ARG  13          1HG       ARG  13  -4.277   1.772   3.364
   85   1HD   ARG  13          2HD       ARG  13  -4.061  -0.649   3.881
   86   2HD   ARG  13          1HD       ARG  13  -5.294  -0.451   5.123
   87    HE   ARG  13           HE       ARG  13  -5.831   0.103   2.274
   88   1HH1  ARG  13          2HH1      ARG  13  -6.638  -1.428   5.320
   89   2HH1  ARG  13          1HH1      ARG  13  -8.172  -2.039   4.752
   90   1HH2  ARG  13          2HH2      ARG  13  -7.814  -0.744   1.511
   91   2HH2  ARG  13          1HH2      ARG  13  -8.837  -1.656   2.593
   92    H    VAL  14           H        VAL  14  -0.394   2.877   6.066
   93    HA   VAL  14           HA       VAL  14  -0.921   3.124   8.944
   94    HB   VAL  14           HB       VAL  14   1.816   2.516   7.953
   95   1HG1  VAL  14          1HG1      VAL  14   0.922   0.731   9.944
   96   2HG1  VAL  14          2HG1      VAL  14   2.058   2.070  10.108
   97   3HG1  VAL  14          3HG1      VAL  14   0.337   2.336  10.384
   98   1HG2  VAL  14          1HG2      VAL  14  -0.537   0.842   7.371
   99   2HG2  VAL  14          2HG2      VAL  14   1.035   0.912   6.574
  100   3HG2  VAL  14          3HG2      VAL  14   0.847   0.002   8.074
  101    H    CYS  15           H        CYS  15   1.724   4.089   6.789
  102    HA   CYS  15           HA       CYS  15   2.442   6.337   8.374
  103   1HB   CYS  15          2HB       CYS  15   3.861   6.375   5.980
  104   2HB   CYS  15          1HB       CYS  15   4.355   5.620   7.498
  105    H    LYS  16           H        LYS  16  -0.111   6.146   6.534
  106    HA   LYS  16           HA       LYS  16  -1.416   7.614   5.315
  107   1HB   LYS  16          2HB       LYS  16  -0.377   9.075   7.725
  108   2HB   LYS  16          1HB       LYS  16  -1.623   9.760   6.689
  109   1HG   LYS  16          2HG       LYS  16  -2.971   7.693   7.095
  110   2HG   LYS  16          1HG       LYS  16  -1.767   7.225   8.299
  111   1HD   LYS  16          2HD       LYS  16  -2.240   9.677   9.180
  112   2HD   LYS  16          1HD       LYS  16  -3.783   9.408   8.367
  113   1HE   LYS  16          2HE       LYS  16  -3.101   7.083   9.875
  114   2HE   LYS  16          1HE       LYS  16  -2.966   8.501  10.913
  115   1HZ   LYS  16          1HZ       LYS  16  -5.339   8.023   9.217
  116   2HZ   LYS  16          2HZ       LYS  16  -5.191   9.071  10.542
  117   3HZ   LYS  16          3HZ       LYS  16  -5.217   7.390  10.786
  118    H    ASP  17           H        ASP  17   0.964   7.556   3.938
  119    HA   ASP  17           HA       ASP  17   1.386  10.393   3.263
  120   1HB   ASP  17          2HB       ASP  17   3.598   9.700   2.389
  121   2HB   ASP  17          1HB       ASP  17   3.425   9.363   4.108
  122    H    GLY  18           H        GLY  18   2.068  10.726   0.963
  123   1HA   GLY  18          1HA       GLY  18   0.882   8.788  -0.893
  124   2HA   GLY  18          2HA       GLY  18   0.272  10.439  -0.906
  125    H    GLY  19           H        GLY  19   1.012  10.290  -3.189
  126   1HA   GLY  19          1HA       GLY  19   2.548  11.580  -4.503
  127   2HA   GLY  19          2HA       GLY  19   3.806  11.221  -3.328
  128    H    GLU  20           H        GLU  20   5.239   9.722  -3.873
  129    HA   GLU  20           HA       GLU  20   4.770   8.081  -6.225
  130   1HB   GLU  20          2HB       GLU  20   7.124   8.660  -4.473
  131   2HB   GLU  20          1HB       GLU  20   7.135   7.196  -5.446
  132   1HG   GLU  20          2HG       GLU  20   7.708   9.883  -6.216
  133   2HG   GLU  20          1HG       GLU  20   7.885   8.397  -7.143
  134    H    LEU  21           H        LEU  21   2.905   7.252  -4.895
  135    HA   LEU  21           HA       LEU  21   3.506   5.319  -2.849
  136   1HB   LEU  21          2HB       LEU  21   1.324   6.904  -3.607
  137   2HB   LEU  21          1HB       LEU  21   0.806   5.256  -3.884
  138    HG   LEU  21           HG       LEU  21   0.879   4.708  -1.634
  139   1HD1  LEU  21          1HD1      LEU  21   3.217   5.602  -1.324
  140   2HD1  LEU  21          2HD1      LEU  21   2.476   7.160  -0.961
  141   3HD1  LEU  21          3HD1      LEU  21   2.130   5.760   0.059
  142   1HD2  LEU  21          1HD2      LEU  21   0.213   7.290  -0.712
  143   2HD2  LEU  21          2HD2      LEU  21  -0.345   7.164  -2.380
  144   3HD2  LEU  21          3HD2      LEU  21  -0.871   5.981  -1.181
  145    H    LEU  22           H        LEU  22   3.643   3.175  -3.068
  146    HA   LEU  22           HA       LEU  22   3.357   1.982  -5.718
  147   1HB   LEU  22          2HB       LEU  22   5.284   1.190  -4.659
  148   2HB   LEU  22          1HB       LEU  22   4.500   1.083  -3.094
  149    HG   LEU  22           HG       LEU  22   3.119  -0.829  -4.125
  150   1HD1  LEU  22          1HD1      LEU  22   3.455  -0.902  -6.369
  151   2HD1  LEU  22          2HD1      LEU  22   5.104  -0.286  -6.255
  152   3HD1  LEU  22          3HD1      LEU  22   4.765  -1.974  -5.873
  153   1HD2  LEU  22          1HD2      LEU  22   6.011  -1.527  -3.924
  154   2HD2  LEU  22          2HD2      LEU  22   5.183  -0.853  -2.520
  155   3HD2  LEU  22          3HD2      LEU  22   4.605  -2.351  -3.251
  156    H    CYS  23           H        CYS  23   1.348   1.506  -6.274
  157    HA   CYS  23           HA       CYS  23  -0.670   1.145  -4.267
  158   1HB   CYS  23          2HB       CYS  23  -1.609   0.697  -6.956
  159   2HB   CYS  23          1HB       CYS  23  -1.996   2.008  -5.844
  160    HG   CYS  23           HG       CYS  23  -0.327   3.807  -6.779
  161    H    CYS  24           H        CYS  24  -2.291  -0.515  -4.366
  162    HA   CYS  24           HA       CYS  24  -1.281  -3.182  -4.523
  163   1HB   CYS  24          2HB       CYS  24  -3.113  -2.224  -2.996
  164   2HB   CYS  24          1HB       CYS  24  -4.175  -2.317  -4.391
  165    H    ASP  25           H        ASP  25  -3.493  -4.475  -5.623
  166    HA   ASP  25           HA       ASP  25  -3.605  -3.540  -8.403
  167   1HB   ASP  25          2HB       ASP  25  -2.183  -5.254  -8.899
  168   2HB   ASP  25          1HB       ASP  25  -2.581  -6.148  -7.436
  169    H    THR  26           H        THR  26  -5.052  -5.287  -5.743
  170    HA   THR  26           HA       THR  26  -7.530  -5.542  -7.268
  171    HB   THR  26           HB       THR  26  -7.906  -7.441  -6.175
  172    HG1  THR  26           1HG      THR  26  -7.238  -6.433  -3.612
  173   1HG2  THR  26          1HG2      THR  26  -5.527  -7.274  -4.407
  174   2HG2  THR  26          2HG2      THR  26  -5.256  -7.233  -6.150
  175   3HG2  THR  26          3HG2      THR  26  -6.096  -8.602  -5.419
  176    H    CYS  27           H        CYS  27  -6.074  -3.529  -4.936
  177    HA   CYS  27           HA       CYS  27  -8.626  -2.157  -4.633
  178   1HB   CYS  27          2HB       CYS  27  -8.531  -1.942  -2.301
  179   2HB   CYS  27          1HB       CYS  27  -8.085  -3.618  -2.578
  180    HA   PRO  28           HA       PRO  28  -6.168   1.383  -5.420
  181   1HB   PRO  28          2HB       PRO  28  -7.502   3.379  -4.233
  182   2HB   PRO  28          1HB       PRO  28  -8.219   2.449  -5.557
  183   1HG   PRO  28          2HG       PRO  28  -8.651   2.176  -2.603
  184   2HG   PRO  28          1HG       PRO  28  -9.848   2.164  -3.913
  185   1HD   PRO  28          2HD       PRO  28  -8.876  -0.103  -2.733
  186   2HD   PRO  28          1HD       PRO  28  -9.459  -0.043  -4.409
  187    H    SER  29           H        SER  29  -6.075   0.145  -2.340
  188    HA   SER  29           HA       SER  29  -4.862   2.280  -0.904
  189   1HB   SER  29          2HB       SER  29  -4.277  -0.598  -0.290
  190   2HB   SER  29          1HB       SER  29  -4.534   0.748   0.820
  191    HG   SER  29           HG       SER  29  -6.402  -0.843  -0.549
  192    H    SER  30           H        SER  30  -2.759   2.903  -0.755
  193    HA   SER  30           HA       SER  30  -0.786   1.324  -2.236
  194   1HB   SER  30          2HB       SER  30  -0.417   4.238  -2.395
  195   2HB   SER  30          1HB       SER  30  -0.235   3.006  -3.645
  196    HG   SER  30           HG       SER  30  -2.772   3.049  -3.228
  197    H    TYR  31           H        TYR  31   1.472   1.896  -1.711
  198    HA   TYR  31           HA       TYR  31   1.773   2.889   1.043
  199   1HB   TYR  31          2HB       TYR  31   2.482   0.156  -0.024
  200   2HB   TYR  31          1HB       TYR  31   3.196   0.799   1.448
  201    HD1  TYR  31           1HD      TYR  31   1.797   1.161   3.449
  202    HD2  TYR  31           2HD      TYR  31   0.229  -0.638  -0.073
  203    HE1  TYR  31           1HE      TYR  31  -0.119   0.313   4.736
  204    HE2  TYR  31           2HE      TYR  31  -1.689  -1.479   1.205
  205    HH   TYR  31           HH       TYR  31  -1.765  -1.531   4.575
  206    H    HIS  32           H        HIS  32   4.238   2.302   1.596
  207    HA   HIS  32           HA       HIS  32   6.017   3.689  -0.273
  208   1HB   HIS  32          2HB       HIS  32   6.325   2.513   2.511
  209   2HB   HIS  32          1HB       HIS  32   7.728   2.919   1.554
  210    HD2  HIS  32           2HD      HIS  32   8.504   5.511   1.606
  211    HE1  HIS  32           1HE      HIS  32   5.505   6.757   4.325
  212    HE2  HIS  32           2HE      HIS  32   7.554   7.476   3.009
  213    H    ILE  33           H        ILE  33   8.059   1.671   0.940
  214    HA   ILE  33           HA       ILE  33   7.158  -0.792  -0.348
  215    HB   ILE  33           HB       ILE  33   9.439  -1.318  -1.102
  216   1HG1  ILE  33          2HG1      ILE  33  10.106   1.559  -0.439
  217   1HG2  ILE  33          1HG2      ILE  33   8.061  -0.482  -2.790
  218   2HG2  ILE  33          2HG2      ILE  33   8.104   1.157  -2.139
  219   3HG2  ILE  33          3HG2      ILE  33   9.533   0.479  -2.923
  220   1HD1  ILE  33          1HD1      ILE  33  12.473   0.476  -0.702
  221   2HD1  ILE  33          2HD1      ILE  33  11.600  -0.644  -1.749
  222   3HD1  ILE  33          3HD1      ILE  33  11.587   1.083  -2.101
  223    H    HIS  34           H        HIS  34   7.479   0.504   2.436
  224    HA   HIS  34           HA       HIS  34   8.642  -1.849   3.734
  225   1HB   HIS  34          2HB       HIS  34  10.386   0.000   3.311
  226   2HB   HIS  34          1HB       HIS  34   9.525   0.923   4.535
  227    HD2  HIS  34           2HD      HIS  34  10.041  -2.868   5.176
  228    HE1  HIS  34           1HE      HIS  34  12.670  -0.688   7.675
  229    HE2  HIS  34           2HE      HIS  34  11.774  -2.993   7.109
  230    H    CYS  35           H        CYS  35   5.976  -0.116   3.541
  231    HA   CYS  35           HA       CYS  35   5.516   0.782   6.197
  232   1HB   CYS  35          2HB       CYS  35   3.236   0.011   4.444
  233   2HB   CYS  35          1HB       CYS  35   3.465   1.459   5.423
  234    H    LEU  36           H        LEU  36   4.615  -2.132   4.434
  235    HA   LEU  36           HA       LEU  36   3.077  -3.147   6.641
  236   1HB   LEU  36          2HB       LEU  36   3.128  -5.210   4.925
  237   2HB   LEU  36          1HB       LEU  36   2.022  -3.858   4.783
  238    HG   LEU  36           HG       LEU  36   4.607  -3.497   3.409
  239   1HD1  LEU  36          1HD1      LEU  36   4.017  -4.914   1.529
  240   2HD1  LEU  36          2HD1      LEU  36   4.203  -5.879   2.994
  241   3HD1  LEU  36          3HD1      LEU  36   2.591  -5.492   2.391
  242   1HD2  LEU  36          1HD2      LEU  36   1.745  -2.821   3.048
  243   2HD2  LEU  36          2HD2      LEU  36   3.183  -1.816   2.858
  244   3HD2  LEU  36          3HD2      LEU  36   2.736  -2.964   1.596
  245    H    ARG  37           H        ARG  37   3.388  -5.689   6.936
  246    HA   ARG  37           HA       ARG  37   5.809  -6.004   8.369
  247   1HB   ARG  37          2HB       ARG  37   3.376  -7.295   8.337
  248   2HB   ARG  37          1HB       ARG  37   4.458  -8.500   7.652
  249   1HG   ARG  37          2HG       ARG  37   4.307  -8.812  10.029
  250   2HG   ARG  37          1HG       ARG  37   5.928  -8.253   9.615
  251   1HD   ARG  37          2HD       ARG  37   4.127  -6.053  10.158
  252   2HD   ARG  37          1HD       ARG  37   4.233  -7.168  11.519
  253    HE   ARG  37           HE       ARG  37   6.837  -6.688  10.664
  254   1HH1  ARG  37          2HH1      ARG  37   4.155  -4.855  11.972
  255   2HH1  ARG  37          1HH1      ARG  37   5.165  -3.693  12.778
  256   1HH2  ARG  37          2HH2      ARG  37   8.184  -5.160  11.721
  257   2HH2  ARG  37          1HH2      ARG  37   7.464  -3.870  12.642
  258    HA   PRO  38           HA       PRO  38   7.299  -8.804   4.711
  259   1HB   PRO  38          2HB       PRO  38   5.493  -8.240   2.480
  260   2HB   PRO  38          1HB       PRO  38   5.986  -9.799   3.147
  261   1HG   PRO  38          2HG       PRO  38   3.474  -8.847   3.421
  262   2HG   PRO  38          1HG       PRO  38   4.253  -9.852   4.658
  263   1HD   PRO  38          2HD       PRO  38   3.904  -6.874   4.583
  264   2HD   PRO  38          1HD       PRO  38   3.680  -7.999   5.940
  265    H    ALA  39           H        ALA  39   8.858  -7.182   4.808
  266    HA   ALA  39           HA       ALA  39   8.519  -4.659   3.572
  267   1HB   ALA  39          1HB       ALA  39  11.196  -4.837   3.921
  268   2HB   ALA  39          2HB       ALA  39  10.048  -4.376   5.179
  269   3HB   ALA  39          3HB       ALA  39  10.621  -6.042   5.074
  270    H    LEU  40           H        LEU  40   9.011  -3.938   1.620
  271    HA   LEU  40           HA       LEU  40  10.097  -5.816  -0.344
  272   1HB   LEU  40          2HB       LEU  40   8.810  -3.099  -0.665
  273   2HB   LEU  40          1HB       LEU  40   9.466  -4.037  -1.992
  274    HG   LEU  40           HG       LEU  40   7.247  -4.547  -2.187
  275   1HD1  LEU  40          1HD1      LEU  40   6.778  -6.745  -1.055
  276   2HD1  LEU  40          2HD1      LEU  40   8.260  -6.668  -2.008
  277   3HD1  LEU  40          3HD1      LEU  40   8.337  -6.567  -0.248
  278   1HD2  LEU  40          1HD2      LEU  40   6.394  -5.072   0.518
  279   2HD2  LEU  40          2HD2      LEU  40   7.059  -3.446   0.358
  280   3HD2  LEU  40          3HD2      LEU  40   5.732  -3.961  -0.681
  281    H    TYR  41           H        TYR  41  12.271  -5.829   0.033
  282    HA   TYR  41           HA       TYR  41  13.728  -3.465   0.683
  283   1HB   TYR  41          2HB       TYR  41  14.652  -6.224  -0.131
  284   2HB   TYR  41          1HB       TYR  41  15.738  -4.937   0.385
  285    HD1  TYR  41           1HD      TYR  41  14.167  -7.792   1.470
  286    HD2  TYR  41           2HD      TYR  41  14.843  -3.778   2.703
  287    HE1  TYR  41           1HE      TYR  41  13.834  -8.462   3.812
  288    HE2  TYR  41           2HE      TYR  41  14.515  -4.438   5.050
  289    HH   TYR  41           HH       TYR  41  14.194  -7.808   5.985
  290    H    GLU  42           H        GLU  42  12.599  -4.763  -2.180
  291    HA   GLU  42           HA       GLU  42  14.065  -2.757  -3.698
  292   1HB   GLU  42          2HB       GLU  42  14.053  -4.510  -5.637
  293   2HB   GLU  42          1HB       GLU  42  15.341  -4.553  -4.440
  294   1HG   GLU  42          2HG       GLU  42  13.329  -6.176  -3.403
  295   2HG   GLU  42          1HG       GLU  42  13.397  -6.559  -5.123
  296    H    VAL  43           H        VAL  43  12.912  -2.234  -5.742
  297    HA   VAL  43           HA       VAL  43  10.135  -1.947  -5.248
  298    HB   VAL  43           HB       VAL  43  10.803  -1.596  -8.052
  299   1HG1  VAL  43          1HG1      VAL  43  10.333   0.840  -6.638
  300   2HG1  VAL  43          2HG1      VAL  43   9.270  -0.018  -7.754
  301   3HG1  VAL  43          3HG1      VAL  43   9.236  -0.403  -6.034
  302   1HG2  VAL  43          1HG2      VAL  43  13.077  -1.297  -6.934
  303   2HG2  VAL  43          2HG2      VAL  43  12.495   0.031  -7.940
  304   3HG2  VAL  43          3HG2      VAL  43  12.387   0.142  -6.183
  305    HA   PRO  44           HA       PRO  44   9.089  -5.979  -6.822
  306   1HB   PRO  44          2HB       PRO  44   6.547  -6.019  -5.954
  307   2HB   PRO  44          1HB       PRO  44   7.916  -6.179  -4.847
  308   1HG   PRO  44          2HG       PRO  44   6.223  -3.783  -5.436
  309   2HG   PRO  44          1HG       PRO  44   6.858  -4.354  -3.883
  310   1HD   PRO  44          2HD       PRO  44   7.981  -2.328  -5.363
  311   2HD   PRO  44          1HD       PRO  44   8.870  -3.326  -4.195
  312    H    ASP  45           H        ASP  45   9.329  -5.002  -9.025
  313    HA   ASP  45           HA       ASP  45   7.072  -3.893 -10.354
  314   1HB   ASP  45          2HB       ASP  45   9.165  -3.426 -11.352
  315   2HB   ASP  45          1HB       ASP  45   9.650  -5.120 -11.323
  316    H    GLY  46           H        GLY  46   5.405  -4.858 -11.363
  317   1HA   GLY  46          1HA       GLY  46   4.769  -6.887 -12.723
  318   2HA   GLY  46          2HA       GLY  46   5.384  -7.810 -11.359
  319    H    GLU  47           H        GLU  47   3.680  -8.721 -10.405
  320    HA   GLU  47           HA       GLU  47   1.265  -7.100  -9.991
  321   1HB   GLU  47          2HB       GLU  47   1.504 -10.052  -9.445
  322   2HB   GLU  47          1HB       GLU  47   0.045  -9.105  -9.693
  323   1HG   GLU  47          2HG       GLU  47   0.087  -9.468 -11.875
  324   2HG   GLU  47          1HG       GLU  47   1.772  -8.963 -11.993
  325    H    TRP  48           H        TRP  48   1.440  -5.969  -8.158
  326    HA   TRP  48           HA       TRP  48   2.410  -7.389  -5.762
  327   1HB   TRP  48          2HB       TRP  48   3.766  -5.398  -6.423
  328   2HB   TRP  48          1HB       TRP  48   2.333  -4.395  -6.216
  329    HD1  TRP  48           HD       TRP  48   4.722  -6.605  -4.131
  330    HE1  TRP  48           1HE      TRP  48   4.674  -5.769  -1.696
  331    HE3  TRP  48           3HE      TRP  48   1.060  -3.066  -4.557
  332    HZ2  TRP  48           2HZ      TRP  48   3.271  -3.864  -0.159
  333    HZ3  TRP  48           3HZ      TRP  48   0.423  -1.780  -2.558
  334    HH2  TRP  48           HH       TRP  48   1.504  -2.173  -0.405
  335    H    GLN  49           H        GLN  49   1.172  -7.377  -3.937
  336    HA   GLN  49           HA       GLN  49  -1.438  -6.029  -4.093
  337   1HB   GLN  49          2HB       GLN  49  -1.468  -8.578  -2.635
  338   2HB   GLN  49          1HB       GLN  49  -2.636  -7.921  -3.771
  339   1HG   GLN  49          2HG       GLN  49  -0.141  -8.788  -5.014
  340   2HG   GLN  49          1HG       GLN  49  -1.031 -10.079  -4.208
  341   1HE2  GLN  49          1HE2      GLN  49  -1.692  -7.287  -6.295
  342   2HE2  GLN  49          2HE2      GLN  49  -2.815  -8.108  -7.330
  343    H    CYS  50           H        CYS  50  -2.178  -5.157  -2.211
  344    HA   CYS  50           HA       CYS  50  -0.301  -4.557  -0.193
  345   1HB   CYS  50          2HB       CYS  50  -2.022  -3.278   0.786
  346   2HB   CYS  50          1HB       CYS  50  -2.359  -3.229  -0.942
  347    HA   PRO  51           HA       PRO  51  -0.786  -7.756   2.843
  348   1HB   PRO  51          2HB       PRO  51  -1.151  -6.422   5.191
  349   2HB   PRO  51          1HB       PRO  51   0.409  -6.535   4.365
  350   1HG   PRO  51          2HG       PRO  51  -1.590  -4.309   4.349
  351   2HG   PRO  51          1HG       PRO  51   0.177  -4.228   4.485
  352   1HD   PRO  51          2HD       PRO  51  -1.106  -3.734   2.163
  353   2HD   PRO  51          1HD       PRO  51   0.492  -4.509   2.212
  354    H    ARG  52           H        ARG  52  -3.411  -5.763   2.111
  355    HA   ARG  52           HA       ARG  52  -5.225  -7.143   3.949
  356   1HB   ARG  52          2HB       ARG  52  -5.242  -4.576   3.070
  357   2HB   ARG  52          1HB       ARG  52  -6.347  -5.315   1.919
  358   1HG   ARG  52          2HG       ARG  52  -6.967  -6.202   4.575
  359   2HG   ARG  52          1HG       ARG  52  -6.904  -4.440   4.518
  360   1HD   ARG  52          2HD       ARG  52  -9.072  -4.748   3.889
  361   2HD   ARG  52          1HD       ARG  52  -8.300  -4.822   2.306
  362    HE   ARG  52           HE       ARG  52  -9.003  -7.240   3.859
  363   1HH1  ARG  52          2HH1      ARG  52  -8.870  -5.428   0.860
  364   2HH1  ARG  52          1HH1      ARG  52  -9.501  -6.729  -0.107
  365   1HH2  ARG  52          2HH2      ARG  52  -9.831  -8.956   2.583
  366   2HH2  ARG  52          1HH2      ARG  52 -10.056  -8.729   0.876
  367    H    CYS  53           H        CYS  53  -4.825  -6.590   0.451
  368    HA   CYS  53           HA       CYS  53  -6.702  -8.673  -0.234
  369   1HB   CYS  53          2HB       CYS  53  -4.685  -7.325  -2.043
  370   2HB   CYS  53          1HB       CYS  53  -6.127  -8.205  -2.532
  371    H    THR  54           H        THR  54  -3.301  -8.235  -1.042
  372    HA   THR  54           HA       THR  54  -1.645  -9.699  -1.553
  373    HB   THR  54           HB       THR  54  -1.915 -11.468   0.688
  374    HG1  THR  54           1HG      THR  54  -2.590  -8.741   1.099
  375   1HG2  THR  54          1HG2      THR  54   0.136 -10.457  -0.484
  376   2HG2  THR  54          2HG2      THR  54   0.175 -10.584   1.275
  377   3HG2  THR  54          3HG2      THR  54  -0.171  -9.032   0.510
  378    H    CYS  55           H        CYS  55  -2.794 -12.435   0.139
  379    HA   CYS  55           HA       CYS  55  -3.450 -13.718  -2.423
  380   1HB   CYS  55          2HB       CYS  55  -2.526 -15.464  -0.246
  381   2HB   CYS  55          1HB       CYS  55  -2.070 -15.446  -1.947
  382    HG   CYS  55           HG       CYS  55  -0.619 -13.897   0.684
  383    HA   PRO  56           HA       PRO  56  -7.297 -14.147  -0.117
  384   1HB   PRO  56          2HB       PRO  56  -8.452 -14.864  -2.696
  385   2HB   PRO  56          1HB       PRO  56  -8.790 -13.463  -1.677
  386   1HG   PRO  56          2HG       PRO  56  -7.503 -13.266  -4.048
  387   2HG   PRO  56          1HG       PRO  56  -7.184 -12.173  -2.688
  388   1HD   PRO  56          2HD       PRO  56  -5.618 -14.556  -3.615
  389   2HD   PRO  56          1HD       PRO  56  -5.035 -12.969  -3.066
  390    H    ALA  57           H        ALA  57  -6.036 -16.137   0.650
  391    HA   ALA  57           HA       ALA  57  -6.266 -18.633  -0.592
  392   1HB   ALA  57          1HB       ALA  57  -4.736 -18.552   1.154
  393   2HB   ALA  57          2HB       ALA  57  -5.881 -17.785   2.255
  394   3HB   ALA  57          3HB       ALA  57  -6.065 -19.488   1.838
  395    H    LEU  58           H        LEU  58  -8.430 -16.923   1.590
  396    HA   LEU  58           HA       LEU  58 -10.596 -18.695   0.734
  397   1HB   LEU  58          2HB       LEU  58  -9.482 -18.830   3.299
  398   2HB   LEU  58          1HB       LEU  58 -10.956 -17.901   3.496
  399    HG   LEU  58           HG       LEU  58 -11.300 -20.324   1.885
  400   1HD1  LEU  58          1HD1      LEU  58 -11.182 -21.863   3.758
  401   2HD1  LEU  58          2HD1      LEU  58  -9.605 -21.131   3.456
  402   3HD1  LEU  58          3HD1      LEU  58 -10.593 -20.569   4.802
  403   1HD2  LEU  58          1HD2      LEU  58 -12.918 -18.590   3.182
  404   2HD2  LEU  58          2HD2      LEU  58 -13.376 -20.235   2.746
  405   3HD2  LEU  58          3HD2      LEU  58 -12.797 -19.883   4.376
  406    H    LYS  59           H        LYS  59  -9.473 -15.871   0.445
  407    HA   LYS  59           HA       LYS  59 -10.225 -13.771   0.078
  408   1HB   LYS  59          2HB       LYS  59 -12.279 -15.422  -0.736
  409   2HB   LYS  59          1HB       LYS  59 -13.085 -14.303   0.354
  410   1HG   LYS  59          2HG       LYS  59 -11.622 -12.574  -1.104
  411   2HG   LYS  59          1HG       LYS  59 -11.905 -13.844  -2.296
  412   1HD   LYS  59          2HD       LYS  59 -13.863 -12.831  -2.663
  413   2HD   LYS  59          1HD       LYS  59 -14.371 -13.550  -1.134
  414   1HE   LYS  59          2HE       LYS  59 -12.939 -11.202  -0.513
  415   2HE   LYS  59          1HE       LYS  59 -14.053 -10.794  -1.816
  416   1HZ   LYS  59          1HZ       LYS  59 -14.622 -11.169   0.906
  417   2HZ   LYS  59          2HZ       LYS  59 -15.434 -12.374   0.034
  418   3HZ   LYS  59          3HZ       LYS  59 -15.686 -10.737  -0.343
  419    H    GLY  60           H        GLY  60  -9.427 -14.150   2.585
  420   1HA   GLY  60          1HA       GLY  60  -9.899 -12.204   4.147
  421   2HA   GLY  60          2HA       GLY  60 -11.504 -12.908   4.273
  422    H    LYS  61           H        LYS  61 -10.826 -15.600   4.372
  423    HA   LYS  61           HA       LYS  61  -9.945 -15.776   7.117
  424   1HB   LYS  61          2HB       LYS  61 -11.345 -17.529   5.194
  425   2HB   LYS  61          1HB       LYS  61 -10.316 -18.356   6.356
  426   1HG   LYS  61          2HG       LYS  61 -11.589 -16.771   8.050
  427   2HG   LYS  61          1HG       LYS  61 -12.815 -16.824   6.781
  428   1HD   LYS  61          2HD       LYS  61 -13.378 -18.608   8.178
  429   2HD   LYS  61          1HD       LYS  61 -12.486 -19.373   6.862
  430   1HE   LYS  61          2HE       LYS  61 -10.594 -18.604   8.807
  431   2HE   LYS  61          1HE       LYS  61 -11.923 -19.380   9.666
  432   1HZ   LYS  61          1HZ       LYS  61 -10.800 -21.232   9.118
  433   2HZ   LYS  61          2HZ       LYS  61  -9.998 -20.514   7.812
  434   3HZ   LYS  61          3HZ       LYS  61 -11.592 -21.064   7.629
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -13.739   4.349   2.732
    2   2H    GLY   1          2H        GLY   1 -14.149   3.579   1.277
    3   3H    GLY   1          3H        GLY   1 -13.786   2.657   2.651
    4   1HA   GLY   1          2HA       GLY   1 -16.033   2.534   2.754
    5   2HA   GLY   1          1HA       GLY   1 -15.761   4.002   3.685
    6    HA   PRO   2           HA       PRO   2 -18.845   5.088   0.422
    7   1HB   PRO   2          2HB       PRO   2 -20.179   6.882   1.992
    8   2HB   PRO   2          1HB       PRO   2 -20.552   5.157   1.943
    9   1HG   PRO   2          2HG       PRO   2 -18.948   6.693   3.944
   10   2HG   PRO   2          1HG       PRO   2 -20.111   5.382   4.206
   11   1HD   PRO   2          2HD       PRO   2 -17.437   4.987   4.265
   12   2HD   PRO   2          1HD       PRO   2 -18.572   3.743   3.706
   13    H    LEU   3           H        LEU   3 -16.643   6.894   2.377
   14    HA   LEU   3           HA       LEU   3 -16.737   9.116   0.444
   15   1HB   LEU   3          2HB       LEU   3 -15.638   9.107   3.258
   16   2HB   LEU   3          1HB       LEU   3 -15.619  10.472   2.160
   17    HG   LEU   3           HG       LEU   3 -18.146   9.180   3.181
   18   1HD1  LEU   3          1HD1      LEU   3 -18.004  11.657   4.318
   19   2HD1  LEU   3          2HD1      LEU   3 -17.606  10.142   5.129
   20   3HD1  LEU   3          3HD1      LEU   3 -16.327  11.116   4.399
   21   1HD2  LEU   3          1HD2      LEU   3 -18.253  11.943   2.321
   22   2HD2  LEU   3          2HD2      LEU   3 -17.716  10.873   1.029
   23   3HD2  LEU   3          3HD2      LEU   3 -19.252  10.572   1.840
   24    H    GLY   4           H        GLY   4 -14.314  10.225   0.758
   25   1HA   GLY   4          1HA       GLY   4 -12.543   8.235  -0.400
   26   2HA   GLY   4          2HA       GLY   4 -12.230   9.959  -0.257
   27    H    SER   5           H        SER   5 -12.962   7.376   2.062
   28    HA   SER   5           HA       SER   5 -10.407   7.906   3.391
   29   1HB   SER   5          2HB       SER   5 -12.213   7.367   5.471
   30   2HB   SER   5          1HB       SER   5 -11.440   8.912   5.113
   31    HG   SER   5           HG       SER   5 -13.909   7.993   4.033
   32    H    ASP   6           H        ASP   6  -9.395   6.138   4.107
   33    HA   ASP   6           HA       ASP   6  -8.831   3.953   4.341
   34   1HB   ASP   6          2HB       ASP   6 -10.966   4.231   5.947
   35   2HB   ASP   6          1HB       ASP   6 -11.614   3.033   4.829
   36    H    HIS   7           H        HIS   7  -9.550   4.926   1.747
   37    HA   HIS   7           HA       HIS   7 -10.190   2.344   0.500
   38   1HB   HIS   7          2HB       HIS   7 -11.952   4.493   0.488
   39   2HB   HIS   7          1HB       HIS   7 -11.138   4.615  -1.069
   40    HD2  HIS   7           2HD      HIS   7 -11.134   1.865  -2.355
   41    HE1  HIS   7           1HE      HIS   7 -15.047   1.271  -0.860
   42    HE2  HIS   7           2HE      HIS   7 -13.248   0.355  -2.391
   43    H    HIS   8           H        HIS   8  -9.816   5.329  -1.250
   44    HA   HIS   8           HA       HIS   8  -7.058   4.575  -1.948
   45   1HB   HIS   8          2HB       HIS   8  -8.661   4.375  -3.872
   46   2HB   HIS   8          1HB       HIS   8  -8.983   6.098  -3.720
   47    HD2  HIS   8           2HD      HIS   8  -5.998   3.736  -4.684
   48    HE1  HIS   8           1HE      HIS   8  -5.279   7.620  -6.204
   49    HE2  HIS   8           2HE      HIS   8  -4.351   5.271  -5.981
   50    H    MET   9           H        MET   9  -5.543   6.210  -1.934
   51    HA   MET   9           HA       MET   9  -6.293   8.953  -1.482
   52   1HB   MET   9          2HB       MET   9  -5.054   9.120   0.684
   53   2HB   MET   9          1HB       MET   9  -6.540   8.182   0.789
   54   1HG   MET   9          2HG       MET   9  -4.429   6.400   0.170
   55   2HG   MET   9          1HG       MET   9  -3.897   7.433   1.497
   56   1HE   MET   9          1HE       MET   9  -4.602   4.258   1.057
   57   2HE   MET   9          2HE       MET   9  -5.921   3.683   2.077
   58   3HE   MET   9          3HE       MET   9  -6.269   4.402   0.505
   59    H    GLU  10           H        GLU  10  -4.269  10.324  -1.214
   60    HA   GLU  10           HA       GLU  10  -2.269   9.272  -3.059
   61   1HB   GLU  10          2HB       GLU  10  -3.022  12.021  -2.113
   62   2HB   GLU  10          1HB       GLU  10  -1.484  11.745  -2.920
   63   1HG   GLU  10          2HG       GLU  10  -4.088  10.892  -4.138
   64   2HG   GLU  10          1HG       GLU  10  -3.439  12.519  -4.345
   65    H    PHE  11           H        PHE  11  -2.285   8.283  -0.386
   66    HA   PHE  11           HA       PHE  11   0.481   8.610   0.223
   67   1HB   PHE  11          2HB       PHE  11   0.234   9.378   2.532
   68   2HB   PHE  11          1HB       PHE  11  -0.388  10.583   1.414
   69    HD1  PHE  11           1HD      PHE  11  -2.833  10.927   1.202
   70    HD2  PHE  11           2HD      PHE  11  -1.161   8.336   4.138
   71    HE1  PHE  11           1HE      PHE  11  -4.947  10.993   2.462
   72    HE2  PHE  11           2HE      PHE  11  -3.273   8.396   5.399
   73    HZ   PHE  11           HZ       PHE  11  -5.169   9.725   4.563
   74    H    CYS  12           H        CYS  12   1.140   7.110   1.972
   75    HA   CYS  12           HA       CYS  12  -0.442   4.695   1.744
   76   1HB   CYS  12          2HB       CYS  12   1.530   3.662   1.969
   77   2HB   CYS  12          1HB       CYS  12   2.297   5.242   2.043
   78    HG   CYS  12           HG       CYS  12   3.086   5.124   4.461
   79    H    ARG  13           H        ARG  13  -1.855   4.014   3.174
   80    HA   ARG  13           HA       ARG  13  -2.838   5.672   5.132
   81   1HB   ARG  13          2HB       ARG  13  -4.009   3.484   5.953
   82   2HB   ARG  13          1HB       ARG  13  -4.382   4.148   4.370
   83   1HG   ARG  13          2HG       ARG  13  -2.877   2.541   3.326
   84   2HG   ARG  13          1HG       ARG  13  -2.462   1.890   4.914
   85   1HD   ARG  13          2HD       ARG  13  -5.231   1.913   3.715
   86   2HD   ARG  13          1HD       ARG  13  -4.143   0.525   3.721
   87    HE   ARG  13           HE       ARG  13  -4.236   0.881   6.278
   88   1HH1  ARG  13          2HH1      ARG  13  -6.900   1.255   4.015
   89   2HH1  ARG  13          1HH1      ARG  13  -8.130   1.026   5.229
   90   1HH2  ARG  13          2HH2      ARG  13  -5.846   0.545   7.860
   91   2HH2  ARG  13          1HH2      ARG  13  -7.526   0.618   7.415
   92    H    VAL  14           H        VAL  14  -0.208   3.501   5.453
   93    HA   VAL  14           HA       VAL  14  -0.463   3.088   8.271
   94    HB   VAL  14           HB       VAL  14   1.849   2.571   6.398
   95   1HG1  VAL  14          1HG1      VAL  14   1.716   1.154   8.977
   96   2HG1  VAL  14          2HG1      VAL  14   3.111   1.762   8.086
   97   3HG1  VAL  14          3HG1      VAL  14   2.141   2.864   9.066
   98   1HG2  VAL  14          1HG2      VAL  14   0.535   0.288   7.605
   99   2HG2  VAL  14          2HG2      VAL  14  -0.582   1.274   6.660
  100   3HG2  VAL  14          3HG2      VAL  14   0.878   0.629   5.908
  101    H    CYS  15           H        CYS  15   2.203   4.685   6.493
  102    HA   CYS  15           HA       CYS  15   2.861   6.126   8.910
  103   1HB   CYS  15          2HB       CYS  15   4.960   6.560   7.944
  104   2HB   CYS  15          1HB       CYS  15   4.539   4.949   7.376
  105    H    LYS  16           H        LYS  16   0.840   6.703   6.396
  106    HA   LYS  16           HA       LYS  16  -0.345   8.498   5.707
  107   1HB   LYS  16          2HB       LYS  16   1.063   9.792   8.030
  108   2HB   LYS  16          1HB       LYS  16  -0.080  10.665   7.018
  109   1HG   LYS  16          2HG       LYS  16  -1.073   8.096   7.998
  110   2HG   LYS  16          1HG       LYS  16  -0.719   9.272   9.264
  111   1HD   LYS  16          2HD       LYS  16  -2.040  10.917   7.752
  112   2HD   LYS  16          1HD       LYS  16  -2.682   9.448   7.012
  113   1HE   LYS  16          2HE       LYS  16  -2.875   8.995   9.746
  114   2HE   LYS  16          1HE       LYS  16  -3.334  10.687   9.547
  115   1HZ   LYS  16          1HZ       LYS  16  -5.226   9.159   9.377
  116   2HZ   LYS  16          2HZ       LYS  16  -4.513   8.418   8.028
  117   3HZ   LYS  16          3HZ       LYS  16  -4.995  10.043   7.948
  118    H    ASP  17           H        ASP  17   2.853   8.184   5.258
  119    HA   ASP  17           HA       ASP  17   3.423  10.738   4.064
  120   1HB   ASP  17          2HB       ASP  17   4.972   8.669   5.002
  121   2HB   ASP  17          1HB       ASP  17   5.120   8.489   3.258
  122    H    GLY  18           H        GLY  18   3.500  11.254   1.905
  123   1HA   GLY  18          1HA       GLY  18   2.030   9.388   0.162
  124   2HA   GLY  18          2HA       GLY  18   2.116  11.134  -0.053
  125    H    GLY  19           H        GLY  19   3.070  11.456  -1.952
  126   1HA   GLY  19          1HA       GLY  19   4.985  11.675  -3.301
  127   2HA   GLY  19          2HA       GLY  19   5.775  10.430  -2.341
  128    H    GLU  20           H        GLU  20   6.386   9.056  -3.945
  129    HA   GLU  20           HA       GLU  20   4.292   8.034  -5.731
  130   1HB   GLU  20          2HB       GLU  20   7.215   8.338  -5.934
  131   2HB   GLU  20          1HB       GLU  20   6.594   6.809  -6.542
  132   1HG   GLU  20          2HG       GLU  20   6.787   8.536  -8.284
  133   2HG   GLU  20          1HG       GLU  20   5.139   7.946  -8.078
  134    H    LEU  21           H        LEU  21   3.206   6.506  -4.710
  135    HA   LEU  21           HA       LEU  21   4.567   4.739  -2.848
  136   1HB   LEU  21          2HB       LEU  21   1.620   4.740  -3.365
  137   2HB   LEU  21          1HB       LEU  21   2.481   4.353  -1.888
  138    HG   LEU  21           HG       LEU  21   2.907   7.112  -2.682
  139   1HD1  LEU  21          1HD1      LEU  21   0.195   6.049  -2.839
  140   2HD1  LEU  21          2HD1      LEU  21   0.362   7.403  -1.722
  141   3HD1  LEU  21          3HD1      LEU  21   0.849   7.587  -3.408
  142   1HD2  LEU  21          1HD2      LEU  21   1.466   6.386  -0.218
  143   2HD2  LEU  21          2HD2      LEU  21   3.071   5.685  -0.418
  144   3HD2  LEU  21          3HD2      LEU  21   2.863   7.436  -0.452
  145    H    LEU  22           H        LEU  22   3.678   2.485  -2.699
  146    HA   LEU  22           HA       LEU  22   3.541   1.260  -5.373
  147   1HB   LEU  22          2HB       LEU  22   5.526   0.583  -4.156
  148   2HB   LEU  22          1HB       LEU  22   4.573   0.195  -2.739
  149    HG   LEU  22           HG       LEU  22   3.433  -1.569  -4.252
  150   1HD1  LEU  22          1HD1      LEU  22   5.079  -0.420  -6.159
  151   2HD1  LEU  22          2HD1      LEU  22   5.900  -1.926  -5.735
  152   3HD1  LEU  22          3HD1      LEU  22   4.226  -1.956  -6.298
  153   1HD2  LEU  22          1HD2      LEU  22   4.918  -3.189  -3.482
  154   2HD2  LEU  22          2HD2      LEU  22   6.314  -2.122  -3.639
  155   3HD2  LEU  22          3HD2      LEU  22   5.140  -1.856  -2.347
  156    H    CYS  23           H        CYS  23   1.446   0.929  -5.803
  157    HA   CYS  23           HA       CYS  23  -0.335   0.261  -3.571
  158   1HB   CYS  23          2HB       CYS  23  -1.576   0.998  -6.122
  159   2HB   CYS  23          1HB       CYS  23  -1.868   1.623  -4.503
  160    HG   CYS  23           HG       CYS  23   0.795   2.569  -6.438
  161    H    CYS  24           H        CYS  24  -2.022  -1.238  -3.812
  162    HA   CYS  24           HA       CYS  24  -1.325  -3.673  -5.026
  163   1HB   CYS  24          2HB       CYS  24  -2.707  -3.474  -3.028
  164   2HB   CYS  24          1HB       CYS  24  -3.956  -2.656  -3.944
  165    H    ASP  25           H        ASP  25  -2.653  -4.865  -6.559
  166    HA   ASP  25           HA       ASP  25  -3.576  -3.147  -8.757
  167   1HB   ASP  25          2HB       ASP  25  -1.716  -4.892  -9.094
  168   2HB   ASP  25          1HB       ASP  25  -2.993  -6.094  -8.966
  169    H    THR  26           H        THR  26  -4.704  -5.081  -6.261
  170    HA   THR  26           HA       THR  26  -7.184  -5.688  -7.730
  171    HB   THR  26           HB       THR  26  -7.704  -7.249  -5.825
  172    HG1  THR  26           1HG      THR  26  -5.146  -6.364  -5.029
  173   1HG2  THR  26          1HG2      THR  26  -6.995  -8.397  -7.685
  174   2HG2  THR  26          2HG2      THR  26  -5.757  -8.870  -6.520
  175   3HG2  THR  26          3HG2      THR  26  -5.417  -7.607  -7.705
  176    H    CYS  27           H        CYS  27  -5.899  -4.222  -4.792
  177    HA   CYS  27           HA       CYS  27  -8.512  -2.913  -4.412
  178   1HB   CYS  27          2HB       CYS  27  -6.648  -2.893  -2.131
  179   2HB   CYS  27          1HB       CYS  27  -8.384  -3.182  -2.168
  180    HA   PRO  28           HA       PRO  28  -6.358   0.820  -5.223
  181   1HB   PRO  28          2HB       PRO  28  -8.301   2.402  -3.789
  182   2HB   PRO  28          1HB       PRO  28  -8.174   2.139  -5.528
  183   1HG   PRO  28          2HG       PRO  28 -10.223   1.183  -3.987
  184   2HG   PRO  28          1HG       PRO  28  -9.702   0.443  -5.512
  185   1HD   PRO  28          2HD       PRO  28  -9.074  -0.365  -2.695
  186   2HD   PRO  28          1HD       PRO  28  -9.451  -1.382  -4.105
  187    H    SER  29           H        SER  29  -5.468  -0.505  -2.759
  188    HA   SER  29           HA       SER  29  -5.225   1.611  -0.804
  189   1HB   SER  29          2HB       SER  29  -3.600  -0.734  -0.292
  190   2HB   SER  29          1HB       SER  29  -4.947  -0.083   0.641
  191    HG   SER  29           HG       SER  29  -4.901  -2.243  -0.910
  192    H    SER  30           H        SER  30  -3.676   3.058  -0.849
  193    HA   SER  30           HA       SER  30  -1.282   2.671  -2.431
  194   1HB   SER  30          2HB       SER  30  -1.239   5.082  -0.879
  195   2HB   SER  30          1HB       SER  30  -1.433   4.903  -2.625
  196    HG   SER  30           HG       SER  30  -3.273   5.878  -1.932
  197    H    TYR  31           H        TYR  31   0.514   1.825  -1.598
  198    HA   TYR  31           HA       TYR  31   0.927   1.991   1.313
  199   1HB   TYR  31          2HB       TYR  31   0.620  -0.326  -0.447
  200   2HB   TYR  31          1HB       TYR  31   2.064  -0.404   0.553
  201    HD1  TYR  31           1HD      TYR  31  -1.470  -0.894   0.435
  202    HD2  TYR  31           2HD      TYR  31   1.776  -0.112   3.069
  203    HE1  TYR  31           1HE      TYR  31  -2.811  -1.719   2.327
  204    HE2  TYR  31           2HE      TYR  31   0.446  -0.927   4.963
  205    HH   TYR  31           HH       TYR  31  -1.420  -1.975   5.582
  206    H    HIS  32           H        HIS  32   3.199   1.185   1.867
  207    HA   HIS  32           HA       HIS  32   5.167   2.094  -0.116
  208   1HB   HIS  32          2HB       HIS  32   5.052   2.524   2.852
  209   2HB   HIS  32          1HB       HIS  32   6.612   2.412   2.049
  210    HD2  HIS  32           2HD      HIS  32   6.244   4.263  -0.489
  211    HE1  HIS  32           1HE      HIS  32   4.694   7.127   2.214
  212    HE2  HIS  32           2HE      HIS  32   5.901   6.791  -0.006
  213    H    ILE  33           H        ILE  33   7.076   0.804  -0.219
  214    HA   ILE  33           HA       ILE  33   6.684  -1.941  -0.008
  215    HB   ILE  33           HB       ILE  33   9.249  -2.075  -0.143
  216   1HG1  ILE  33          2HG1      ILE  33   9.479   0.636  -1.125
  217   1HG2  ILE  33          1HG2      ILE  33   7.668  -2.236  -2.053
  218   2HG2  ILE  33          2HG2      ILE  33   7.849  -0.498  -2.291
  219   3HG2  ILE  33          3HG2      ILE  33   9.243  -1.563  -2.479
  220   1HD1  ILE  33          1HD1      ILE  33  11.096   0.223   1.146
  221   2HD1  ILE  33          2HD1      ILE  33  11.068  -1.288   0.228
  222   3HD1  ILE  33          3HD1      ILE  33  11.563   0.214  -0.556
  223    H    HIS  34           H        HIS  34   7.833   0.293   2.383
  224    HA   HIS  34           HA       HIS  34   8.672  -1.920   4.112
  225   1HB   HIS  34          2HB       HIS  34   9.823  -0.066   5.406
  226   2HB   HIS  34          1HB       HIS  34  10.438  -0.353   3.781
  227    HD2  HIS  34           2HD      HIS  34   9.028   2.455   5.920
  228    HE1  HIS  34           1HE      HIS  34   9.134   3.856   1.934
  229    HE2  HIS  34           2HE      HIS  34   8.524   4.433   4.323
  230    H    CYS  35           H        CYS  35   6.016   0.005   3.658
  231    HA   CYS  35           HA       CYS  35   5.440   0.299   6.507
  232   1HB   CYS  35          2HB       CYS  35   4.055   1.399   4.058
  233   2HB   CYS  35          1HB       CYS  35   3.491   1.653   5.707
  234    H    LEU  36           H        LEU  36   5.468  -2.305   5.700
  235    HA   LEU  36           HA       LEU  36   2.817  -3.094   6.434
  236   1HB   LEU  36          2HB       LEU  36   3.112  -4.849   4.360
  237   2HB   LEU  36          1HB       LEU  36   2.056  -3.451   4.359
  238    HG   LEU  36           HG       LEU  36   4.292  -2.272   3.480
  239   1HD1  LEU  36          1HD1      LEU  36   5.381  -4.614   3.624
  240   2HD1  LEU  36          2HD1      LEU  36   4.498  -4.927   2.130
  241   3HD1  LEU  36          3HD1      LEU  36   5.670  -3.611   2.203
  242   1HD2  LEU  36          1HD2      LEU  36   2.953  -1.915   1.752
  243   2HD2  LEU  36          2HD2      LEU  36   3.080  -3.600   1.244
  244   3HD2  LEU  36          3HD2      LEU  36   1.850  -3.122   2.413
  245    H    ARG  37           H        ARG  37   2.782  -5.652   6.314
  246    HA   ARG  37           HA       ARG  37   4.732  -6.560   8.108
  247   1HB   ARG  37          2HB       ARG  37   2.335  -7.450   7.587
  248   2HB   ARG  37          1HB       ARG  37   3.155  -8.460   6.406
  249   1HG   ARG  37          2HG       ARG  37   4.687  -9.037   8.471
  250   2HG   ARG  37          1HG       ARG  37   3.248  -8.546   9.370
  251   1HD   ARG  37          2HD       ARG  37   2.511 -10.628   9.056
  252   2HD   ARG  37          1HD       ARG  37   2.237 -10.161   7.378
  253    HE   ARG  37           HE       ARG  37   4.911 -10.965   7.680
  254   1HH1  ARG  37          2HH1      ARG  37   1.690 -12.344   7.757
  255   2HH1  ARG  37          1HH1      ARG  37   2.214 -13.910   7.205
  256   1HH2  ARG  37          2HH2      ARG  37   5.595 -12.999   6.907
  257   2HH2  ARG  37          1HH2      ARG  37   4.428 -14.274   6.675
  258    HA   PRO  38           HA       PRO  38   6.986  -8.817   4.581
  259   1HB   PRO  38          2HB       PRO  38   6.132  -8.730   2.046
  260   2HB   PRO  38          1HB       PRO  38   5.421  -9.842   3.223
  261   1HG   PRO  38          2HG       PRO  38   4.363  -7.259   2.168
  262   2HG   PRO  38          1HG       PRO  38   3.495  -8.750   2.574
  263   1HD   PRO  38          2HD       PRO  38   3.671  -6.495   4.189
  264   2HD   PRO  38          1HD       PRO  38   3.224  -8.120   4.739
  265    H    ALA  39           H        ALA  39   8.011  -6.677   5.322
  266    HA   ALA  39           HA       ALA  39   8.135  -4.441   3.648
  267   1HB   ALA  39          1HB       ALA  39   8.864  -3.964   5.765
  268   2HB   ALA  39          2HB       ALA  39   9.818  -5.442   5.893
  269   3HB   ALA  39          3HB       ALA  39  10.402  -4.098   4.911
  270    H    LEU  40           H        LEU  40   9.186  -3.977   1.873
  271    HA   LEU  40           HA       LEU  40  11.250  -5.852   0.915
  272   1HB   LEU  40          2HB       LEU  40   9.646  -4.178  -0.961
  273   2HB   LEU  40          1HB       LEU  40  10.408  -5.733  -1.236
  274    HG   LEU  40           HG       LEU  40   8.333  -6.000   0.739
  275   1HD1  LEU  40          1HD1      LEU  40   7.496  -4.785  -1.889
  276   2HD1  LEU  40          2HD1      LEU  40   6.411  -5.499  -0.695
  277   3HD1  LEU  40          3HD1      LEU  40   7.330  -4.047  -0.296
  278   1HD2  LEU  40          1HD2      LEU  40   8.043  -7.936  -0.331
  279   2HD2  LEU  40          2HD2      LEU  40   7.901  -7.154  -1.905
  280   3HD2  LEU  40          3HD2      LEU  40   9.494  -7.496  -1.231
  281    H    TYR  41           H        TYR  41  12.262  -4.497  -1.186
  282    HA   TYR  41           HA       TYR  41  13.184  -1.933  -0.056
  283   1HB   TYR  41          2HB       TYR  41  14.828  -4.033  -1.485
  284   2HB   TYR  41          1HB       TYR  41  15.421  -2.442  -1.017
  285    HD1  TYR  41           1HD      TYR  41  15.253  -1.865   1.518
  286    HD2  TYR  41           2HD      TYR  41  15.068  -5.822  -0.032
  287    HE1  TYR  41           1HE      TYR  41  15.878  -2.753   3.727
  288    HE2  TYR  41           2HE      TYR  41  15.691  -6.721   2.170
  289    HH   TYR  41           HH       TYR  41  15.386  -5.301   4.886
  290    H    GLU  42           H        GLU  42  11.122  -1.750  -1.705
  291    HA   GLU  42           HA       GLU  42  10.322  -0.737  -3.567
  292   1HB   GLU  42          2HB       GLU  42  13.168   0.201  -3.535
  293   2HB   GLU  42          1HB       GLU  42  12.164   0.551  -4.936
  294   1HG   GLU  42          2HG       GLU  42  11.315   2.290  -3.881
  295   2HG   GLU  42          1HG       GLU  42  10.662   1.217  -2.644
  296    H    VAL  43           H        VAL  43  10.638  -3.343  -3.813
  297    HA   VAL  43           HA       VAL  43  12.139  -3.829  -6.208
  298    HB   VAL  43           HB       VAL  43  10.966  -6.179  -4.965
  299   1HG1  VAL  43          1HG1      VAL  43  13.481  -5.330  -6.242
  300   2HG1  VAL  43          2HG1      VAL  43  13.628  -6.581  -5.007
  301   3HG1  VAL  43          3HG1      VAL  43  12.578  -6.837  -6.402
  302   1HG2  VAL  43          1HG2      VAL  43  13.244  -5.341  -3.371
  303   2HG2  VAL  43          2HG2      VAL  43  11.869  -4.247  -3.187
  304   3HG2  VAL  43          3HG2      VAL  43  11.678  -5.971  -2.860
  305    HA   PRO  44           HA       PRO  44   7.930  -5.819  -7.486
  306   1HB   PRO  44          2HB       PRO  44   5.799  -5.205  -5.907
  307   2HB   PRO  44          1HB       PRO  44   6.811  -6.634  -5.652
  308   1HG   PRO  44          2HG       PRO  44   6.918  -3.971  -4.283
  309   2HG   PRO  44          1HG       PRO  44   7.009  -5.593  -3.572
  310   1HD   PRO  44          2HD       PRO  44   9.231  -4.106  -4.016
  311   2HD   PRO  44          1HD       PRO  44   9.228  -5.869  -4.199
  312    H    ASP  45           H        ASP  45   6.244  -4.909  -8.742
  313    HA   ASP  45           HA       ASP  45   5.313  -2.252  -8.496
  314   1HB   ASP  45          2HB       ASP  45   7.355  -1.343  -9.151
  315   2HB   ASP  45          1HB       ASP  45   7.730  -2.693 -10.214
  316    H    GLY  46           H        GLY  46   3.399  -2.292  -9.475
  317   1HA   GLY  46          1HA       GLY  46   1.825  -2.686 -11.145
  318   2HA   GLY  46          2HA       GLY  46   3.053  -3.539 -12.072
  319    H    GLU  47           H        GLU  47   3.838  -5.599 -10.828
  320    HA   GLU  47           HA       GLU  47   1.472  -7.232 -10.389
  321   1HB   GLU  47          2HB       GLU  47   4.351  -8.129 -10.261
  322   2HB   GLU  47          1HB       GLU  47   2.925  -9.121 -10.524
  323   1HG   GLU  47          2HG       GLU  47   2.699  -8.446 -12.720
  324   2HG   GLU  47          1HG       GLU  47   3.641  -6.976 -12.471
  325    H    TRP  48           H        TRP  48   1.226  -5.691  -8.402
  326    HA   TRP  48           HA       TRP  48   2.275  -7.162  -6.100
  327   1HB   TRP  48          2HB       TRP  48   3.681  -5.108  -6.516
  328   2HB   TRP  48          1HB       TRP  48   2.243  -4.138  -6.206
  329    HD1  TRP  48           HD       TRP  48   4.559  -6.641  -4.377
  330    HE1  TRP  48           1HE      TRP  48   4.441  -6.148  -1.851
  331    HE3  TRP  48           3HE      TRP  48   0.952  -3.027  -4.441
  332    HZ2  TRP  48           2HZ      TRP  48   2.997  -4.440  -0.123
  333    HZ3  TRP  48           3HZ      TRP  48   0.255  -2.019  -2.312
  334    HH2  TRP  48           HH       TRP  48   1.255  -2.710  -0.201
  335    H    GLN  49           H        GLN  49   1.062  -6.725  -4.123
  336    HA   GLN  49           HA       GLN  49  -1.500  -5.431  -4.306
  337   1HB   GLN  49          2HB       GLN  49  -2.853  -7.379  -3.893
  338   2HB   GLN  49          1HB       GLN  49  -1.910  -7.662  -5.349
  339   1HG   GLN  49          2HG       GLN  49  -0.358  -9.049  -4.103
  340   2HG   GLN  49          1HG       GLN  49  -1.244  -8.725  -2.613
  341   1HE2  GLN  49          1HE2      GLN  49  -3.724  -9.134  -2.963
  342   2HE2  GLN  49          2HE2      GLN  49  -4.095 -10.674  -3.679
  343    H    CYS  50           H        CYS  50  -2.497  -5.224  -2.219
  344    HA   CYS  50           HA       CYS  50  -0.792  -4.794  -0.101
  345   1HB   CYS  50          2HB       CYS  50  -3.475  -5.590   0.775
  346   2HB   CYS  50          1HB       CYS  50  -2.609  -4.086   1.027
  347    HA   PRO  51           HA       PRO  51  -0.364  -8.801   1.869
  348   1HB   PRO  51          2HB       PRO  51   0.166  -8.074   4.391
  349   2HB   PRO  51          1HB       PRO  51   1.320  -7.748   3.092
  350   1HG   PRO  51          2HG       PRO  51  -0.617  -5.897   4.414
  351   2HG   PRO  51          1HG       PRO  51   1.053  -5.593   3.904
  352   1HD   PRO  51          2HD       PRO  51  -1.200  -4.859   2.472
  353   2HD   PRO  51          1HD       PRO  51   0.419  -5.065   1.778
  354    H    ARG  52           H        ARG  52  -3.008  -7.162   1.775
  355    HA   ARG  52           HA       ARG  52  -4.348  -8.413   4.075
  356   1HB   ARG  52          2HB       ARG  52  -5.447  -6.109   2.482
  357   2HB   ARG  52          1HB       ARG  52  -5.886  -6.626   4.104
  358   1HG   ARG  52          2HG       ARG  52  -4.005  -5.671   5.057
  359   2HG   ARG  52          1HG       ARG  52  -3.124  -5.640   3.529
  360   1HD   ARG  52          2HD       ARG  52  -3.891  -3.605   3.042
  361   2HD   ARG  52          1HD       ARG  52  -5.556  -4.090   3.365
  362    HE   ARG  52           HE       ARG  52  -3.661  -2.966   5.311
  363   1HH1  ARG  52          2HH1      ARG  52  -6.928  -3.845   4.394
  364   2HH1  ARG  52          1HH1      ARG  52  -7.649  -3.146   5.811
  365   1HH2  ARG  52          2HH2      ARG  52  -4.594  -2.084   7.196
  366   2HH2  ARG  52          1HH2      ARG  52  -6.325  -2.142   7.410
  367    H    CYS  53           H        CYS  53  -4.479  -7.918   0.580
  368    HA   CYS  53           HA       CYS  53  -7.019  -9.225   0.279
  369   1HB   CYS  53          2HB       CYS  53  -5.988  -9.247  -2.202
  370   2HB   CYS  53          1HB       CYS  53  -6.727  -7.815  -1.490
  371    H    THR  54           H        THR  54  -3.808 -10.163   0.678
  372    HA   THR  54           HA       THR  54  -4.006 -12.719  -0.648
  373    HB   THR  54           HB       THR  54  -1.770 -12.734   1.030
  374    HG1  THR  54           1HG      THR  54  -1.974 -10.181  -0.235
  375   1HG2  THR  54          1HG2      THR  54  -2.202 -13.276  -1.515
  376   2HG2  THR  54          2HG2      THR  54  -0.586 -12.862  -0.942
  377   3HG2  THR  54          3HG2      THR  54  -1.579 -11.640  -1.739
  378    H    CYS  55           H        CYS  55  -6.071 -12.813   0.937
  379    HA   CYS  55           HA       CYS  55  -5.642 -13.531   3.621
  380   1HB   CYS  55          2HB       CYS  55  -8.008 -14.717   2.331
  381   2HB   CYS  55          1HB       CYS  55  -7.889 -13.692   3.757
  382    HG   CYS  55           HG       CYS  55  -8.461 -12.850   0.551
  383    HA   PRO  56           HA       PRO  56  -5.641 -18.111   2.380
  384   1HB   PRO  56          2HB       PRO  56  -6.014 -18.931  -0.136
  385   2HB   PRO  56          1HB       PRO  56  -7.378 -18.451   0.881
  386   1HG   PRO  56          2HG       PRO  56  -6.029 -16.953  -1.313
  387   2HG   PRO  56          1HG       PRO  56  -7.745 -17.006  -0.876
  388   1HD   PRO  56          2HD       PRO  56  -5.949 -14.986  -0.184
  389   2HD   PRO  56          1HD       PRO  56  -7.525 -15.277   0.572
  390    H    ALA  57           H        ALA  57  -3.484 -16.251   2.185
  391    HA   ALA  57           HA       ALA  57  -1.493 -17.966   0.973
  392   1HB   ALA  57          1HB       ALA  57  -1.204 -16.800  -0.895
  393   2HB   ALA  57          2HB       ALA  57  -2.441 -15.643  -0.400
  394   3HB   ALA  57          3HB       ALA  57  -0.761 -15.398   0.079
  395    H    LEU  58           H        LEU  58   0.656 -17.442   1.640
  396    HA   LEU  58           HA       LEU  58   0.721 -16.022   4.199
  397   1HB   LEU  58          2HB       LEU  58   2.536 -17.999   2.849
  398   2HB   LEU  58          1HB       LEU  58   3.119 -17.024   4.184
  399    HG   LEU  58           HG       LEU  58   0.773 -18.067   5.186
  400   1HD1  LEU  58          1HD1      LEU  58   0.685 -19.525   3.144
  401   2HD1  LEU  58          2HD1      LEU  58   2.161 -20.299   3.720
  402   3HD1  LEU  58          3HD1      LEU  58   0.686 -20.383   4.685
  403   1HD2  LEU  58          1HD2      LEU  58   3.550 -18.162   5.695
  404   2HD2  LEU  58          2HD2      LEU  58   2.223 -18.530   6.798
  405   3HD2  LEU  58          3HD2      LEU  58   2.939 -19.812   5.820
  406    H    LYS  59           H        LYS  59   1.234 -13.932   4.130
  407    HA   LYS  59           HA       LYS  59   2.684 -12.910   1.832
  408   1HB   LYS  59          2HB       LYS  59   0.698 -11.887   3.608
  409   2HB   LYS  59          1HB       LYS  59   2.102 -10.832   3.674
  410   1HG   LYS  59          2HG       LYS  59   0.426 -11.547   1.289
  411   2HG   LYS  59          1HG       LYS  59   0.715  -9.956   1.995
  412   1HD   LYS  59          2HD       LYS  59   2.480  -9.654   0.675
  413   2HD   LYS  59          1HD       LYS  59   3.218 -11.139   1.278
  414   1HE   LYS  59          2HE       LYS  59   2.105 -12.449  -0.377
  415   2HE   LYS  59          1HE       LYS  59   1.119 -11.079  -0.881
  416   1HZ   LYS  59          1HZ       LYS  59   3.002 -10.009  -1.804
  417   2HZ   LYS  59          2HZ       LYS  59   3.037 -11.613  -2.356
  418   3HZ   LYS  59          3HZ       LYS  59   4.076 -11.126  -1.113
  419    H    GLY  60           H        GLY  60   4.578 -14.213   2.793
  420   1HA   GLY  60          1HA       GLY  60   6.037 -12.885   4.909
  421   2HA   GLY  60          2HA       GLY  60   6.621 -14.207   3.904
  422    H    LYS  61           H        LYS  61   6.015 -12.982   1.412
  423    HA   LYS  61           HA       LYS  61   7.615 -10.539   1.381
  424   1HB   LYS  61          2HB       LYS  61   8.717 -12.989   0.647
  425   2HB   LYS  61          1HB       LYS  61   8.255 -12.259  -0.883
  426   1HG   LYS  61          2HG       LYS  61  10.530 -11.687  -0.381
  427   2HG   LYS  61          1HG       LYS  61   9.531 -10.238  -0.268
  428   1HD   LYS  61          2HD       LYS  61   9.658 -11.589   2.272
  429   2HD   LYS  61          1HD       LYS  61  11.279 -11.246   1.666
  430   1HE   LYS  61          2HE       LYS  61  10.477  -8.891   1.235
  431   2HE   LYS  61          1HE       LYS  61   9.036  -9.307   2.160
  432   1HZ   LYS  61          1HZ       LYS  61  11.143  -8.239   3.281
  433   2HZ   LYS  61          2HZ       LYS  61  11.637  -9.858   3.380
  434   3HZ   LYS  61          3HZ       LYS  61  10.182  -9.367   4.104
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -10.745   8.121   0.917
    2   2H    GLY   1          2H        GLY   1 -12.146   7.558   1.690
    3   3H    GLY   1          3H        GLY   1 -10.644   6.850   2.035
    4   1HA   GLY   1          2HA       GLY   1 -10.315   9.539   2.534
    5   2HA   GLY   1          1HA       GLY   1 -11.874   9.107   3.220
    6    HA   PRO   2           HA       PRO   2  -8.069   7.766   5.845
    7   1HB   PRO   2          2HB       PRO   2  -8.881   9.994   7.609
    8   2HB   PRO   2          1HB       PRO   2  -7.268   9.523   7.065
    9   1HG   PRO   2          2HG       PRO   2  -8.471  11.715   6.115
   10   2HG   PRO   2          1HG       PRO   2  -7.452  10.695   5.078
   11   1HD   PRO   2          2HD       PRO   2 -10.437  10.839   5.259
   12   2HD   PRO   2          1HD       PRO   2  -9.402  10.685   3.825
   13    H    LEU   3           H        LEU   3 -11.297   8.926   6.646
   14    HA   LEU   3           HA       LEU   3 -11.488   6.817   8.700
   15   1HB   LEU   3          2HB       LEU   3 -13.165   9.318   8.643
   16   2HB   LEU   3          1HB       LEU   3 -12.986   8.169   9.954
   17    HG   LEU   3           HG       LEU   3 -10.727   9.916   8.984
   18   1HD1  LEU   3          1HD1      LEU   3 -12.985  10.898  10.119
   19   2HD1  LEU   3          2HD1      LEU   3 -12.011  10.543  11.544
   20   3HD1  LEU   3          3HD1      LEU   3 -11.384  11.618  10.295
   21   1HD2  LEU   3          1HD2      LEU   3 -10.691   9.063  11.739
   22   2HD2  LEU   3          2HD2      LEU   3 -10.779   7.684  10.645
   23   3HD2  LEU   3          3HD2      LEU   3  -9.472   8.857  10.481
   24    H    GLY   4           H        GLY   4 -11.927   6.056   6.174
   25   1HA   GLY   4          1HA       GLY   4 -13.583   4.709   5.178
   26   2HA   GLY   4          2HA       GLY   4 -14.800   5.522   6.155
   27    H    SER   5           H        SER   5 -15.993   5.659   4.128
   28    HA   SER   5           HA       SER   5 -16.821   6.820   2.363
   29   1HB   SER   5          2HB       SER   5 -15.031   9.139   3.041
   30   2HB   SER   5          1HB       SER   5 -16.671   9.157   2.391
   31    HG   SER   5           HG       SER   5 -17.072   8.007   4.588
   32    H    ASP   6           H        ASP   6 -16.094   5.670   0.681
   33    HA   ASP   6           HA       ASP   6 -15.067   5.295  -1.307
   34   1HB   ASP   6          2HB       ASP   6 -14.879   7.762  -1.566
   35   2HB   ASP   6          1HB       ASP   6 -13.326   7.703  -0.740
   36    H    HIS   7           H        HIS   7 -13.874   3.577  -1.462
   37    HA   HIS   7           HA       HIS   7 -11.806   3.021   0.467
   38   1HB   HIS   7          2HB       HIS   7 -11.704   0.934  -1.309
   39   2HB   HIS   7          1HB       HIS   7 -12.728   0.994   0.120
   40    HD2  HIS   7           2HD      HIS   7 -13.018   1.537  -3.748
   41    HE1  HIS   7           1HE      HIS   7 -16.864   0.941  -2.096
   42    HE2  HIS   7           2HE      HIS   7 -15.527   1.095  -4.245
   43    H    HIS   8           H        HIS   8 -11.877   4.643  -2.429
   44    HA   HIS   8           HA       HIS   8  -9.365   3.743  -3.512
   45   1HB   HIS   8          2HB       HIS   8 -11.502   5.263  -4.466
   46   2HB   HIS   8          1HB       HIS   8 -10.172   6.409  -4.346
   47    HD2  HIS   8           2HD      HIS   8  -7.717   5.138  -5.612
   48    HE1  HIS   8           1HE      HIS   8 -10.229   3.551  -8.620
   49    HE2  HIS   8           2HE      HIS   8  -7.865   4.269  -8.053
   50    H    MET   9           H        MET   9  -7.878   3.934  -1.869
   51    HA   MET   9           HA       MET   9  -7.545   6.424  -0.450
   52   1HB   MET   9          2HB       MET   9  -6.971   3.779   0.108
   53   2HB   MET   9          1HB       MET   9  -5.382   4.471  -0.197
   54   1HG   MET   9          2HG       MET   9  -5.606   6.023   1.549
   55   2HG   MET   9          1HG       MET   9  -7.341   5.739   1.683
   56   1HE   MET   9          1HE       MET   9  -6.641   4.422   5.033
   57   2HE   MET   9          2HE       MET   9  -7.242   5.705   3.982
   58   3HE   MET   9          3HE       MET   9  -8.077   4.153   4.044
   59    H    GLU  10           H        GLU  10  -5.906   7.891  -0.658
   60    HA   GLU  10           HA       GLU  10  -4.141   7.553  -2.995
   61   1HB   GLU  10          2HB       GLU  10  -4.505  10.316  -2.181
   62   2HB   GLU  10          1HB       GLU  10  -4.726   9.582  -3.761
   63   1HG   GLU  10          2HG       GLU  10  -6.845  10.266  -3.422
   64   2HG   GLU  10          1HG       GLU  10  -6.958   8.710  -2.600
   65    H    PHE  11           H        PHE  11  -3.735   6.852  -0.139
   66    HA   PHE  11           HA       PHE  11  -1.113   7.950   0.178
   67   1HB   PHE  11          2HB       PHE  11  -1.431   9.102   2.270
   68   2HB   PHE  11          1HB       PHE  11  -2.564   9.776   1.108
   69    HD1  PHE  11           1HD      PHE  11  -4.972   8.819   1.158
   70    HD2  PHE  11           2HD      PHE  11  -2.176   8.402   4.340
   71    HE1  PHE  11           1HE      PHE  11  -6.820   8.399   2.724
   72    HE2  PHE  11           2HE      PHE  11  -4.024   7.972   5.908
   73    HZ   PHE  11           HZ       PHE  11  -6.350   7.972   5.101
   74    H    CYS  12           H        CYS  12  -0.106   7.112   2.255
   75    HA   CYS  12           HA       CYS  12  -0.545   4.310   2.466
   76   1HB   CYS  12          2HB       CYS  12   1.161   6.282   3.946
   77   2HB   CYS  12          1HB       CYS  12   0.991   4.641   4.555
   78    HG   CYS  12           HG       CYS  12   3.266   5.577   2.676
   79    H    ARG  13           H        ARG  13  -2.005   3.271   3.629
   80    HA   ARG  13           HA       ARG  13  -3.866   4.550   5.295
   81   1HB   ARG  13          2HB       ARG  13  -4.670   2.331   5.856
   82   2HB   ARG  13          1HB       ARG  13  -4.295   2.420   4.141
   83   1HG   ARG  13          2HG       ARG  13  -2.511   0.999   4.313
   84   2HG   ARG  13          1HG       ARG  13  -2.206   1.415   6.001
   85   1HD   ARG  13          2HD       ARG  13  -3.071  -0.720   6.177
   86   2HD   ARG  13          1HD       ARG  13  -4.500   0.283   6.425
   87    HE   ARG  13           HE       ARG  13  -3.822  -1.091   3.901
   88   1HH1  ARG  13          2HH1      ARG  13  -6.154   0.251   6.157
   89   2HH1  ARG  13          1HH1      ARG  13  -7.535  -0.258   5.223
   90   1HH2  ARG  13          2HH2      ARG  13  -5.626  -1.758   2.680
   91   2HH2  ARG  13          1HH2      ARG  13  -7.234  -1.410   3.245
   92    H    VAL  14           H        VAL  14  -0.687   3.606   6.015
   93    HA   VAL  14           HA       VAL  14  -1.239   3.597   8.913
   94    HB   VAL  14           HB       VAL  14   1.393   2.645   7.910
   95   1HG1  VAL  14          1HG1      VAL  14  -0.493   1.853  10.110
   96   2HG1  VAL  14          2HG1      VAL  14   0.976   0.955   9.727
   97   3HG1  VAL  14          3HG1      VAL  14   1.082   2.636  10.251
   98   1HG2  VAL  14          1HG2      VAL  14  -1.162   1.352   7.196
   99   2HG2  VAL  14          2HG2      VAL  14   0.414   1.268   6.408
  100   3HG2  VAL  14          3HG2      VAL  14   0.090   0.295   7.846
  101    H    CYS  15           H        CYS  15   1.558   4.194   6.852
  102    HA   CYS  15           HA       CYS  15   2.584   6.245   8.527
  103   1HB   CYS  15          2HB       CYS  15   4.103   6.077   6.202
  104   2HB   CYS  15          1HB       CYS  15   4.379   5.217   7.721
  105    H    LYS  16           H        LYS  16   0.096   6.583   6.679
  106    HA   LYS  16           HA       LYS  16  -0.938   8.314   5.552
  107   1HB   LYS  16          2HB       LYS  16   0.108   8.988   8.138
  108   2HB   LYS  16          1HB       LYS  16   0.036  10.430   7.136
  109   1HG   LYS  16          2HG       LYS  16  -2.321   8.608   7.297
  110   2HG   LYS  16          1HG       LYS  16  -2.000   9.768   8.586
  111   1HD   LYS  16          2HD       LYS  16  -2.202  10.516   5.675
  112   2HD   LYS  16          1HD       LYS  16  -3.565  10.571   6.795
  113   1HE   LYS  16          2HE       LYS  16  -2.929  12.570   7.497
  114   2HE   LYS  16          1HE       LYS  16  -1.365  11.920   7.986
  115   1HZ   LYS  16          1HZ       LYS  16  -1.786  13.756   6.023
  116   2HZ   LYS  16          2HZ       LYS  16  -1.566  12.319   5.156
  117   3HZ   LYS  16          3HZ       LYS  16  -0.371  12.846   6.243
  118    H    ASP  17           H        ASP  17   1.451   7.816   4.117
  119    HA   ASP  17           HA       ASP  17   2.337  10.547   3.471
  120   1HB   ASP  17          2HB       ASP  17   4.365   9.451   2.519
  121   2HB   ASP  17          1HB       ASP  17   4.169   9.186   4.250
  122    H    GLY  18           H        GLY  18   3.122  10.760   1.162
  123   1HA   GLY  18          1HA       GLY  18   1.473   9.200  -0.710
  124   2HA   GLY  18          2HA       GLY  18   1.398  10.962  -0.748
  125    H    GLY  19           H        GLY  19   2.278  11.286  -2.754
  126   1HA   GLY  19          1HA       GLY  19   4.138  11.849  -4.046
  127   2HA   GLY  19          2HA       GLY  19   5.164  10.999  -2.899
  128    H    GLU  20           H        GLU  20   6.124   9.256  -3.705
  129    HA   GLU  20           HA       GLU  20   4.876   7.891  -5.983
  130   1HB   GLU  20          2HB       GLU  20   7.615   8.409  -5.177
  131   2HB   GLU  20          1HB       GLU  20   7.354   6.695  -5.468
  132   1HG   GLU  20          2HG       GLU  20   6.907   8.968  -7.383
  133   2HG   GLU  20          1HG       GLU  20   8.111   7.687  -7.493
  134    H    LEU  21           H        LEU  21   3.359   6.592  -5.108
  135    HA   LEU  21           HA       LEU  21   4.134   4.884  -2.853
  136   1HB   LEU  21          2HB       LEU  21   1.392   5.547  -3.922
  137   2HB   LEU  21          1HB       LEU  21   1.729   4.580  -2.499
  138    HG   LEU  21           HG       LEU  21   2.883   7.295  -2.478
  139   1HD1  LEU  21          1HD1      LEU  21   0.093   6.868  -3.099
  140   2HD1  LEU  21          2HD1      LEU  21   0.295   7.711  -1.562
  141   3HD1  LEU  21          3HD1      LEU  21   1.017   8.371  -3.030
  142   1HD2  LEU  21          1HD2      LEU  21   3.121   5.917  -0.550
  143   2HD2  LEU  21          2HD2      LEU  21   1.952   7.177  -0.155
  144   3HD2  LEU  21          3HD2      LEU  21   1.398   5.545  -0.530
  145    H    LEU  22           H        LEU  22   3.909   2.706  -2.904
  146    HA   LEU  22           HA       LEU  22   3.545   1.461  -5.525
  147   1HB   LEU  22          2HB       LEU  22   5.380   0.480  -4.499
  148   2HB   LEU  22          1HB       LEU  22   4.671   0.579  -2.901
  149    HG   LEU  22           HG       LEU  22   2.983  -1.189  -3.943
  150   1HD1  LEU  22          1HD1      LEU  22   4.043  -2.704  -5.459
  151   2HD1  LEU  22          2HD1      LEU  22   4.102  -1.088  -6.163
  152   3HD1  LEU  22          3HD1      LEU  22   5.543  -1.776  -5.415
  153   1HD2  LEU  22          1HD2      LEU  22   5.715  -1.664  -2.790
  154   2HD2  LEU  22          2HD2      LEU  22   4.160  -1.659  -1.959
  155   3HD2  LEU  22          3HD2      LEU  22   4.559  -2.965  -3.075
  156    H    CYS  23           H        CYS  23   1.488   1.280  -6.033
  157    HA   CYS  23           HA       CYS  23  -0.462   0.697  -3.931
  158   1HB   CYS  23          2HB       CYS  23  -1.148   1.597  -6.714
  159   2HB   CYS  23          1HB       CYS  23  -2.047   1.840  -5.220
  160    HG   CYS  23           HG       CYS  23   0.950   3.378  -5.831
  161    H    CYS  24           H        CYS  24  -1.658  -1.137  -3.916
  162    HA   CYS  24           HA       CYS  24  -0.857  -3.324  -5.443
  163   1HB   CYS  24          2HB       CYS  24  -3.387  -3.867  -4.419
  164   2HB   CYS  24          1HB       CYS  24  -1.838  -4.175  -3.637
  165    H    ASP  25           H        ASP  25  -2.063  -4.612  -6.912
  166    HA   ASP  25           HA       ASP  25  -3.722  -3.052  -8.760
  167   1HB   ASP  25          2HB       ASP  25  -1.753  -4.683  -9.404
  168   2HB   ASP  25          1HB       ASP  25  -2.987  -5.921  -9.217
  169    H    THR  26           H        THR  26  -3.999  -5.175  -6.201
  170    HA   THR  26           HA       THR  26  -6.426  -6.444  -7.138
  171    HB   THR  26           HB       THR  26  -6.171  -7.470  -4.713
  172    HG1  THR  26           1HG      THR  26  -4.498  -6.231  -3.917
  173   1HG2  THR  26          1HG2      THR  26  -4.613  -9.149  -5.676
  174   2HG2  THR  26          2HG2      THR  26  -4.340  -8.065  -7.045
  175   3HG2  THR  26          3HG2      THR  26  -5.945  -8.747  -6.761
  176    H    CYS  27           H        CYS  27  -5.517  -3.755  -5.265
  177    HA   CYS  27           HA       CYS  27  -8.257  -3.081  -4.771
  178   1HB   CYS  27          2HB       CYS  27  -8.409  -3.486  -2.566
  179   2HB   CYS  27          1HB       CYS  27  -6.991  -4.507  -2.769
  180    HA   PRO  28           HA       PRO  28  -6.380   0.851  -5.255
  181   1HB   PRO  28          2HB       PRO  28  -8.312   2.505  -4.464
  182   2HB   PRO  28          1HB       PRO  28  -8.551   1.405  -5.828
  183   1HG   PRO  28          2HG       PRO  28  -9.502   1.166  -3.006
  184   2HG   PRO  28          1HG       PRO  28 -10.350   0.773  -4.512
  185   1HD   PRO  28          2HD       PRO  28  -9.059  -1.066  -2.881
  186   2HD   PRO  28          1HD       PRO  28  -9.457  -1.322  -4.590
  187    H    SER  29           H        SER  29  -5.026  -0.056  -3.134
  188    HA   SER  29           HA       SER  29  -5.155   2.158  -1.188
  189   1HB   SER  29          2HB       SER  29  -3.987  -0.608  -0.784
  190   2HB   SER  29          1HB       SER  29  -4.033   0.680   0.420
  191    HG   SER  29           HG       SER  29  -6.138  -0.875  -0.629
  192    H    SER  30           H        SER  30  -2.987   2.796  -0.305
  193    HA   SER  30           HA       SER  30  -0.865   2.495  -2.311
  194   1HB   SER  30          2HB       SER  30  -1.015   5.136  -1.026
  195   2HB   SER  30          1HB       SER  30  -0.739   4.720  -2.716
  196    HG   SER  30           HG       SER  30  -3.077   4.192  -2.718
  197    H    TYR  31           H        TYR  31   1.205   2.392  -1.552
  198    HA   TYR  31           HA       TYR  31   1.659   2.774   1.320
  199   1HB   TYR  31          2HB       TYR  31   2.323   0.263  -0.238
  200   2HB   TYR  31          1HB       TYR  31   2.886   0.606   1.392
  201    HD1  TYR  31           1HD      TYR  31   1.186   0.779   3.263
  202    HD2  TYR  31           2HD      TYR  31   0.198  -0.667  -0.620
  203    HE1  TYR  31           1HE      TYR  31  -0.841  -0.271   4.169
  204    HE2  TYR  31           2HE      TYR  31  -1.824  -1.727   0.282
  205    HH   TYR  31           HH       TYR  31  -2.980  -2.236   2.099
  206    H    HIS  32           H        HIS  32   4.074   2.104   1.702
  207    HA   HIS  32           HA       HIS  32   5.852   3.689   0.004
  208   1HB   HIS  32          2HB       HIS  32   6.103   2.187   2.615
  209   2HB   HIS  32          1HB       HIS  32   7.547   2.536   1.687
  210    HD2  HIS  32           2HD      HIS  32   8.598   4.993   2.010
  211    HE1  HIS  32           1HE      HIS  32   5.688   6.323   4.782
  212    HE2  HIS  32           2HE      HIS  32   8.060   6.666   3.923
  213    H    ILE  33           H        ILE  33   7.571   1.204   1.201
  214    HA   ILE  33           HA       ILE  33   6.737  -0.836  -0.693
  215    HB   ILE  33           HB       ILE  33   9.032  -1.406  -1.313
  216   1HG1  ILE  33          2HG1      ILE  33   9.865   1.133   0.114
  217   1HG2  ILE  33          1HG2      ILE  33   8.129  -0.079  -2.955
  218   2HG2  ILE  33          2HG2      ILE  33   7.971   1.316  -1.885
  219   3HG2  ILE  33          3HG2      ILE  33   9.555   0.863  -2.518
  220   1HD1  ILE  33          1HD1      ILE  33  11.149  -0.190  -1.936
  221   2HD1  ILE  33          2HD1      ILE  33  11.886   0.919  -0.776
  222   3HD1  ILE  33          3HD1      ILE  33  11.918  -0.819  -0.478
  223    H    HIS  34           H        HIS  34   6.828  -0.120   2.348
  224    HA   HIS  34           HA       HIS  34   7.412  -2.789   3.275
  225   1HB   HIS  34          2HB       HIS  34   9.218  -2.199   4.765
  226   2HB   HIS  34          1HB       HIS  34   9.651  -1.721   3.125
  227    HD2  HIS  34           2HD      HIS  34   9.734  -0.308   6.562
  228    HE1  HIS  34           1HE      HIS  34   9.580   3.020   3.958
  229    HE2  HIS  34           2HE      HIS  34  10.246   2.221   6.270
  230    H    CYS  35           H        CYS  35   5.256  -0.537   3.414
  231    HA   CYS  35           HA       CYS  35   5.054   0.197   6.147
  232   1HB   CYS  35          2HB       CYS  35   2.621  -0.020   4.441
  233   2HB   CYS  35          1HB       CYS  35   3.124   1.285   5.516
  234    H    LEU  36           H        LEU  36   4.231  -2.601   4.369
  235    HA   LEU  36           HA       LEU  36   2.394  -3.610   6.381
  236   1HB   LEU  36          2HB       LEU  36   2.958  -5.602   4.468
  237   2HB   LEU  36          1HB       LEU  36   1.498  -4.647   4.633
  238    HG   LEU  36           HG       LEU  36   3.349  -3.013   3.268
  239   1HD1  LEU  36          1HD1      LEU  36   4.692  -4.383   2.167
  240   2HD1  LEU  36          2HD1      LEU  36   3.823  -5.806   2.744
  241   3HD1  LEU  36          3HD1      LEU  36   3.275  -4.964   1.294
  242   1HD2  LEU  36          1HD2      LEU  36   1.159  -2.682   2.704
  243   2HD2  LEU  36          2HD2      LEU  36   1.680  -3.672   1.340
  244   3HD2  LEU  36          3HD2      LEU  36   0.791  -4.407   2.673
  245    H    ARG  37           H        ARG  37   2.784  -6.152   6.655
  246    HA   ARG  37           HA       ARG  37   4.972  -6.426   8.365
  247   1HB   ARG  37          2HB       ARG  37   3.496  -8.708   7.053
  248   2HB   ARG  37          1HB       ARG  37   4.364  -8.736   8.581
  249   1HG   ARG  37          2HG       ARG  37   2.654  -6.872   9.239
  250   2HG   ARG  37          1HG       ARG  37   1.700  -7.589   7.940
  251   1HD   ARG  37          2HD       ARG  37   2.767  -9.688   9.527
  252   2HD   ARG  37          1HD       ARG  37   2.029  -8.504  10.605
  253    HE   ARG  37           HE       ARG  37   0.413  -9.277   8.327
  254   1HH1  ARG  37          2HH1      ARG  37   1.221  -9.851  11.678
  255   2HH1  ARG  37          1HH1      ARG  37  -0.245 -10.718  12.029
  256   1HH2  ARG  37          2HH2      ARG  37  -1.553 -10.365   8.784
  257   2HH2  ARG  37          1HH2      ARG  37  -1.839 -10.982  10.388
  258    HA   PRO  38           HA       PRO  38   7.337  -8.826   4.983
  259   1HB   PRO  38          2HB       PRO  38   5.974  -8.614   2.443
  260   2HB   PRO  38          1HB       PRO  38   6.362 -10.071   3.359
  261   1HG   PRO  38          2HG       PRO  38   3.814  -9.165   2.973
  262   2HG   PRO  38          1HG       PRO  38   4.312 -10.133   4.372
  263   1HD   PRO  38          2HD       PRO  38   3.916  -7.170   4.162
  264   2HD   PRO  38          1HD       PRO  38   3.452  -8.280   5.471
  265    H    ALA  39           H        ALA  39   8.574  -6.926   5.322
  266    HA   ALA  39           HA       ALA  39   8.254  -4.595   3.722
  267   1HB   ALA  39          1HB       ALA  39   9.447  -4.932   6.030
  268   2HB   ALA  39          2HB       ALA  39  10.860  -5.240   5.017
  269   3HB   ALA  39          3HB       ALA  39  10.006  -3.702   4.897
  270    H    LEU  40           H        LEU  40   9.112  -4.060   1.796
  271    HA   LEU  40           HA       LEU  40  10.829  -6.076   0.517
  272   1HB   LEU  40          2HB       LEU  40   9.086  -3.956  -0.739
  273   2HB   LEU  40          1HB       LEU  40  10.067  -5.113  -1.617
  274    HG   LEU  40           HG       LEU  40   8.317  -6.509   0.189
  275   1HD1  LEU  40          1HD1      LEU  40   6.274  -5.654  -0.161
  276   2HD1  LEU  40          2HD1      LEU  40   7.138  -4.167  -0.550
  277   3HD1  LEU  40          3HD1      LEU  40   6.623  -5.251  -1.842
  278   1HD2  LEU  40          1HD2      LEU  40   9.337  -7.536  -1.731
  279   2HD2  LEU  40          2HD2      LEU  40   7.585  -7.556  -1.934
  280   3HD2  LEU  40          3HD2      LEU  40   8.561  -6.379  -2.812
  281    H    TYR  41           H        TYR  41  12.770  -5.523  -0.349
  282    HA   TYR  41           HA       TYR  41  13.800  -2.888   0.384
  283   1HB   TYR  41          2HB       TYR  41  15.176  -5.365  -0.674
  284   2HB   TYR  41          1HB       TYR  41  16.008  -3.855  -0.320
  285    HD1  TYR  41           1HD      TYR  41  13.910  -3.544   2.167
  286    HD2  TYR  41           2HD      TYR  41  16.821  -6.396   0.937
  287    HE1  TYR  41           1HE      TYR  41  14.191  -4.256   4.502
  288    HE2  TYR  41           2HE      TYR  41  17.106  -7.115   3.272
  289    HH   TYR  41           HH       TYR  41  16.083  -5.369   5.875
  290    H    GLU  42           H        GLU  42  12.932  -4.804  -2.362
  291    HA   GLU  42           HA       GLU  42  13.554  -2.532  -4.126
  292   1HB   GLU  42          2HB       GLU  42  13.051  -4.873  -5.668
  293   2HB   GLU  42          1HB       GLU  42  14.536  -3.940  -5.556
  294   1HG   GLU  42          2HG       GLU  42  15.373  -5.907  -4.868
  295   2HG   GLU  42          1HG       GLU  42  14.755  -5.369  -3.307
  296    H    VAL  43           H        VAL  43  11.842  -1.526  -4.911
  297    HA   VAL  43           HA       VAL  43   9.252  -2.224  -4.130
  298    HB   VAL  43           HB       VAL  43   9.648   0.066  -4.520
  299   1HG1  VAL  43          1HG1      VAL  43  10.273   0.967  -6.756
  300   2HG1  VAL  43          2HG1      VAL  43  11.522  -0.024  -6.002
  301   3HG1  VAL  43          3HG1      VAL  43  10.529  -0.691  -7.298
  302   1HG2  VAL  43          1HG2      VAL  43   7.454  -1.066  -5.470
  303   2HG2  VAL  43          2HG2      VAL  43   7.761   0.661  -5.657
  304   3HG2  VAL  43          3HG2      VAL  43   8.084  -0.441  -6.996
  305    HA   PRO  44           HA       PRO  44   8.394  -5.194  -7.372
  306   1HB   PRO  44          2HB       PRO  44   6.082  -6.113  -6.349
  307   2HB   PRO  44          1HB       PRO  44   7.643  -6.525  -5.631
  308   1HG   PRO  44          2HG       PRO  44   5.634  -4.490  -4.760
  309   2HG   PRO  44          1HG       PRO  44   6.597  -5.606  -3.775
  310   1HD   PRO  44          2HD       PRO  44   7.221  -2.956  -4.157
  311   2HD   PRO  44          1HD       PRO  44   8.406  -4.212  -3.758
  312    H    ASP  45           H        ASP  45   8.067  -2.822  -8.380
  313    HA   ASP  45           HA       ASP  45   5.517  -1.750  -8.718
  314   1HB   ASP  45          2HB       ASP  45   7.375  -0.411  -9.318
  315   2HB   ASP  45          1HB       ASP  45   8.012  -1.638 -10.408
  316    H    GLY  46           H        GLY  46   3.778  -2.416  -9.766
  317   1HA   GLY  46          1HA       GLY  46   3.336  -3.235 -12.239
  318   2HA   GLY  46          2HA       GLY  46   4.007  -4.712 -11.563
  319    H    GLU  47           H        GLU  47   2.221  -5.978 -11.642
  320    HA   GLU  47           HA       GLU  47  -0.284  -5.048 -10.483
  321   1HB   GLU  47          2HB       GLU  47   0.249  -7.859 -11.391
  322   2HB   GLU  47          1HB       GLU  47  -1.275  -6.981 -11.357
  323   1HG   GLU  47          2HG       GLU  47  -0.998  -6.311 -13.441
  324   2HG   GLU  47          1HG       GLU  47   0.593  -5.644 -13.071
  325    H    TRP  48           H        TRP  48   1.376  -4.810  -8.565
  326    HA   TRP  48           HA       TRP  48   1.967  -7.106  -7.014
  327   1HB   TRP  48          2HB       TRP  48   3.269  -5.104  -6.738
  328   2HB   TRP  48          1HB       TRP  48   1.835  -4.155  -6.376
  329    HD1  TRP  48           HD       TRP  48   3.725  -7.157  -4.782
  330    HE1  TRP  48           1HE      TRP  48   3.665  -6.845  -2.228
  331    HE3  TRP  48           3HE      TRP  48   0.888  -2.917  -4.562
  332    HZ2  TRP  48           2HZ      TRP  48   2.528  -5.043  -0.367
  333    HZ3  TRP  48           3HZ      TRP  48   0.353  -1.966  -2.361
  334    HH2  TRP  48           HH       TRP  48   1.159  -3.009  -0.308
  335    H    GLN  49           H        GLN  49   0.774  -8.143  -5.493
  336    HA   GLN  49           HA       GLN  49  -1.977  -7.190  -5.110
  337   1HB   GLN  49          2HB       GLN  49  -2.466  -9.309  -5.656
  338   2HB   GLN  49          1HB       GLN  49  -0.784  -9.796  -5.534
  339   1HG   GLN  49          2HG       GLN  49  -1.583 -11.123  -3.908
  340   2HG   GLN  49          1HG       GLN  49  -1.398  -9.668  -2.928
  341   1HE2  GLN  49          1HE2      GLN  49  -3.275  -8.355  -2.571
  342   2HE2  GLN  49          2HE2      GLN  49  -4.852  -9.064  -2.593
  343    H    CYS  50           H        CYS  50  -2.812  -6.808  -3.127
  344    HA   CYS  50           HA       CYS  50  -1.119  -5.995  -1.102
  345   1HB   CYS  50          2HB       CYS  50  -3.768  -6.786  -0.171
  346   2HB   CYS  50          1HB       CYS  50  -2.961  -5.222  -0.137
  347    HA   PRO  51           HA       PRO  51  -0.710  -9.741   1.354
  348   1HB   PRO  51          2HB       PRO  51   1.573  -8.961   2.558
  349   2HB   PRO  51          1HB       PRO  51   1.568  -9.615   0.918
  350   1HG   PRO  51          2HG       PRO  51   2.058  -6.870   1.817
  351   2HG   PRO  51          1HG       PRO  51   2.439  -7.624   0.261
  352   1HD   PRO  51          2HD       PRO  51   0.165  -5.948   0.981
  353   2HD   PRO  51          1HD       PRO  51   0.675  -6.510  -0.623
  354    H    ARG  52           H        ARG  52  -1.985  -6.878   1.827
  355    HA   ARG  52           HA       ARG  52  -2.126  -7.128   4.735
  356   1HB   ARG  52          2HB       ARG  52  -0.300  -5.465   3.827
  357   2HB   ARG  52          1HB       ARG  52  -1.681  -4.394   3.630
  358   1HG   ARG  52          2HG       ARG  52  -0.512  -4.084   5.776
  359   2HG   ARG  52          1HG       ARG  52  -2.203  -4.548   5.971
  360   1HD   ARG  52          2HD       ARG  52  -0.512  -6.876   5.839
  361   2HD   ARG  52          1HD       ARG  52   0.041  -5.777   7.101
  362    HE   ARG  52           HE       ARG  52  -2.657  -6.962   6.943
  363   1HH1  ARG  52          2HH1      ARG  52  -0.047  -5.498   8.775
  364   2HH1  ARG  52          1HH1      ARG  52  -0.823  -5.754  10.316
  365   1HH2  ARG  52          2HH2      ARG  52  -3.653  -7.326   8.948
  366   2HH2  ARG  52          1HH2      ARG  52  -2.866  -6.815  10.416
  367    H    CYS  53           H        CYS  53  -3.369  -5.192   1.944
  368    HA   CYS  53           HA       CYS  53  -5.653  -4.436   3.521
  369   1HB   CYS  53          2HB       CYS  53  -6.091  -3.829   0.803
  370   2HB   CYS  53          1HB       CYS  53  -5.662  -2.721   2.098
  371    H    THR  54           H        THR  54  -4.881  -6.654   0.998
  372    HA   THR  54           HA       THR  54  -7.491  -7.287   0.209
  373    HB   THR  54           HB       THR  54  -4.797  -8.079  -0.419
  374    HG1  THR  54           1HG      THR  54  -5.997  -7.111  -1.965
  375   1HG2  THR  54          1HG2      THR  54  -6.776 -10.270  -0.026
  376   2HG2  THR  54          2HG2      THR  54  -5.041 -10.235   0.288
  377   3HG2  THR  54          3HG2      THR  54  -5.636 -10.363  -1.369
  378    H    CYS  55           H        CYS  55  -5.597  -8.340   2.907
  379    HA   CYS  55           HA       CYS  55  -6.794 -10.829   3.403
  380   1HB   CYS  55          2HB       CYS  55  -5.975  -9.138   5.712
  381   2HB   CYS  55          1HB       CYS  55  -5.658 -10.839   5.393
  382    HG   CYS  55           HG       CYS  55  -3.777 -10.157   3.296
  383    HA   PRO  56           HA       PRO  56 -10.073  -8.629   6.175
  384   1HB   PRO  56          2HB       PRO  56  -9.903  -5.772   5.518
  385   2HB   PRO  56          1HB       PRO  56  -9.945  -6.555   7.100
  386   1HG   PRO  56          2HG       PRO  56  -7.720  -5.381   6.155
  387   2HG   PRO  56          1HG       PRO  56  -7.659  -6.833   7.172
  388   1HD   PRO  56          2HD       PRO  56  -7.392  -6.590   4.194
  389   2HD   PRO  56          1HD       PRO  56  -6.451  -7.580   5.330
  390    H    ALA  57           H        ALA  57  -9.303  -7.459   2.989
  391    HA   ALA  57           HA       ALA  57 -11.980  -6.772   2.238
  392   1HB   ALA  57          1HB       ALA  57  -9.578  -7.382   0.513
  393   2HB   ALA  57          2HB       ALA  57 -11.089  -6.662  -0.042
  394   3HB   ALA  57          3HB       ALA  57 -10.062  -5.789   1.094
  395    H    LEU  58           H        LEU  58  -9.841  -9.502   1.450
  396    HA   LEU  58           HA       LEU  58 -12.249 -11.122   0.935
  397   1HB   LEU  58          2HB       LEU  58  -9.496 -11.514  -0.245
  398   2HB   LEU  58          1HB       LEU  58 -10.920 -12.478  -0.587
  399    HG   LEU  58           HG       LEU  58 -10.654  -9.548  -1.261
  400   1HD1  LEU  58          1HD1      LEU  58 -10.107 -12.031  -2.847
  401   2HD1  LEU  58          2HD1      LEU  58 -10.585 -10.526  -3.630
  402   3HD1  LEU  58          3HD1      LEU  58  -9.110 -10.587  -2.667
  403   1HD2  LEU  58          1HD2      LEU  58 -12.589 -10.287  -2.825
  404   2HD2  LEU  58          2HD2      LEU  58 -12.773 -11.614  -1.678
  405   3HD2  LEU  58          3HD2      LEU  58 -12.931  -9.946  -1.128
  406    H    LYS  59           H        LYS  59  -9.044 -12.453   1.067
  407    HA   LYS  59           HA       LYS  59  -9.429 -13.317   3.837
  408   1HB   LYS  59          2HB       LYS  59  -9.051 -15.089   1.444
  409   2HB   LYS  59          1HB       LYS  59  -8.385 -15.574   2.996
  410   1HG   LYS  59          2HG       LYS  59 -11.268 -15.083   2.314
  411   2HG   LYS  59          1HG       LYS  59 -10.505 -16.612   2.752
  412   1HD   LYS  59          2HD       LYS  59 -10.598 -16.166   4.958
  413   2HD   LYS  59          1HD       LYS  59 -10.186 -14.465   4.731
  414   1HE   LYS  59          2HE       LYS  59 -12.379 -13.839   4.391
  415   2HE   LYS  59          1HE       LYS  59 -12.869 -15.453   3.875
  416   1HZ   LYS  59          1HZ       LYS  59 -13.779 -15.183   5.991
  417   2HZ   LYS  59          2HZ       LYS  59 -12.373 -14.477   6.624
  418   3HZ   LYS  59          3HZ       LYS  59 -12.400 -16.132   6.260
  419    H    GLY  60           H        GLY  60  -7.451 -13.905   4.894
  420   1HA   GLY  60          1HA       GLY  60  -5.196 -12.387   3.867
  421   2HA   GLY  60          2HA       GLY  60  -5.317 -13.140   5.450
  422    H    LYS  61           H        LYS  61  -3.025 -13.618   4.762
  423    HA   LYS  61           HA       LYS  61  -2.997 -16.308   3.606
  424   1HB   LYS  61          2HB       LYS  61  -1.296 -13.973   2.785
  425   2HB   LYS  61          1HB       LYS  61  -0.672 -15.613   2.659
  426   1HG   LYS  61          2HG       LYS  61  -2.229 -16.216   1.044
  427   2HG   LYS  61          1HG       LYS  61  -3.301 -14.870   1.442
  428   1HD   LYS  61          2HD       LYS  61  -2.365 -13.721  -0.219
  429   2HD   LYS  61          1HD       LYS  61  -0.865 -13.703   0.712
  430   1HE   LYS  61          2HE       LYS  61  -1.207 -16.234  -0.610
  431   2HE   LYS  61          1HE       LYS  61  -1.321 -14.915  -1.773
  432   1HZ   LYS  61          1HZ       LYS  61   0.963 -15.776  -1.411
  433   2HZ   LYS  61          2HZ       LYS  61   0.894 -15.205   0.183
  434   3HZ   LYS  61          3HZ       LYS  61   0.803 -14.115  -1.114
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -2.921   5.322  -7.728
    2   2H    GLY   1          2H        GLY   1  -3.196   5.058  -6.074
    3   3H    GLY   1          3H        GLY   1  -2.325   6.420  -6.583
    4   1HA   GLY   1          2HA       GLY   1  -4.920   6.254  -7.792
    5   2HA   GLY   1          1HA       GLY   1  -4.988   6.346  -6.037
    6    HA   PRO   2           HA       PRO   2  -3.620  10.418  -8.358
    7   1HB   PRO   2          2HB       PRO   2  -6.492  11.000  -8.779
    8   2HB   PRO   2          1HB       PRO   2  -5.122  11.253  -9.864
    9   1HG   PRO   2          2HG       PRO   2  -6.881   9.295 -10.307
   10   2HG   PRO   2          1HG       PRO   2  -5.152   9.061 -10.624
   11   1HD   PRO   2          2HD       PRO   2  -6.799   8.116  -8.310
   12   2HD   PRO   2          1HD       PRO   2  -5.511   7.272  -9.197
   13    H    LEU   3           H        LEU   3  -6.851  10.353  -6.809
   14    HA   LEU   3           HA       LEU   3  -5.746  12.130  -4.726
   15   1HB   LEU   3          2HB       LEU   3  -8.164  12.393  -6.395
   16   2HB   LEU   3          1HB       LEU   3  -8.408  12.699  -4.688
   17    HG   LEU   3           HG       LEU   3  -6.740  14.222  -6.653
   18   1HD1  LEU   3          1HD1      LEU   3  -8.378  15.436  -4.495
   19   2HD1  LEU   3          2HD1      LEU   3  -8.103  15.976  -6.152
   20   3HD1  LEU   3          3HD1      LEU   3  -9.221  14.650  -5.830
   21   1HD2  LEU   3          1HD2      LEU   3  -6.351  14.085  -3.674
   22   2HD2  LEU   3          2HD2      LEU   3  -5.142  13.941  -4.949
   23   3HD2  LEU   3          3HD2      LEU   3  -5.893  15.503  -4.618
   24    H    GLY   4           H        GLY   4  -6.697  11.934  -2.627
   25   1HA   GLY   4          1HA       GLY   4  -7.748   9.228  -2.125
   26   2HA   GLY   4          2HA       GLY   4  -7.000  10.275  -0.925
   27    H    SER   5           H        SER   5  -9.804  10.091  -3.086
   28    HA   SER   5           HA       SER   5 -11.310  12.126  -1.951
   29   1HB   SER   5          2HB       SER   5 -13.121  10.155  -2.833
   30   2HB   SER   5          1HB       SER   5 -12.516  11.537  -3.749
   31    HG   SER   5           HG       SER   5 -11.174  10.274  -4.815
   32    H    ASP   6           H        ASP   6 -11.879   8.647  -1.466
   33    HA   ASP   6           HA       ASP   6 -12.005   8.918   1.368
   34   1HB   ASP   6          2HB       ASP   6 -14.412   9.474   0.074
   35   2HB   ASP   6          1HB       ASP   6 -14.575   7.793   0.576
   36    H    HIS   7           H        HIS   7 -13.469   6.893  -1.154
   37    HA   HIS   7           HA       HIS   7 -12.099   4.550  -0.028
   38   1HB   HIS   7          2HB       HIS   7 -14.617   4.554  -0.744
   39   2HB   HIS   7          1HB       HIS   7 -13.969   4.422  -2.374
   40    HD2  HIS   7           2HD      HIS   7 -11.559   2.318  -1.727
   41    HE1  HIS   7           1HE      HIS   7 -14.719  -0.107  -0.285
   42    HE2  HIS   7           2HE      HIS   7 -12.245  -0.027  -0.813
   43    H    HIS   8           H        HIS   8 -10.268   6.025  -0.811
   44    HA   HIS   8           HA       HIS   8  -9.002   4.898  -3.079
   45   1HB   HIS   8          2HB       HIS   8 -10.831   6.716  -3.860
   46   2HB   HIS   8          1HB       HIS   8  -9.490   7.796  -3.519
   47    HD2  HIS   8           2HD      HIS   8 -10.553   7.352  -6.568
   48    HE1  HIS   8           1HE      HIS   8  -6.947   5.185  -7.005
   49    HE2  HIS   8           2HE      HIS   8  -8.721   6.536  -8.215
   50    H    MET   9           H        MET   9  -6.791   5.615  -3.167
   51    HA   MET   9           HA       MET   9  -6.036   7.468  -1.019
   52   1HB   MET   9          2HB       MET   9  -5.524   4.582  -1.149
   53   2HB   MET   9          1HB       MET   9  -4.096   5.552  -0.819
   54   1HG   MET   9          2HG       MET   9  -4.756   6.044   1.253
   55   2HG   MET   9          1HG       MET   9  -6.427   6.315   0.760
   56   1HE   MET   9          1HE       MET   9  -8.133   5.125   0.963
   57   2HE   MET   9          2HE       MET   9  -8.320   3.380   1.132
   58   3HE   MET   9          3HE       MET   9  -8.104   4.384   2.563
   59    H    GLU  10           H        GLU  10  -4.111   8.503  -1.233
   60    HA   GLU  10           HA       GLU  10  -2.545   8.019  -3.675
   61   1HB   GLU  10          2HB       GLU  10  -2.052  10.570  -3.508
   62   2HB   GLU  10          1HB       GLU  10  -3.563  10.046  -4.241
   63   1HG   GLU  10          2HG       GLU  10  -4.805  11.006  -2.656
   64   2HG   GLU  10          1HG       GLU  10  -3.740  10.465  -1.359
   65    H    PHE  11           H        PHE  11  -2.420   7.147  -0.887
   66    HA   PHE  11           HA       PHE  11   0.350   7.638  -0.317
   67   1HB   PHE  11          2HB       PHE  11  -0.117   8.465   2.018
   68   2HB   PHE  11          1HB       PHE  11  -0.476   9.633   0.752
   69    HD1  PHE  11           1HD      PHE  11  -2.696  10.406   0.378
   70    HD2  PHE  11           2HD      PHE  11  -1.934   7.332   3.215
   71    HE1  PHE  11           1HE      PHE  11  -4.974  10.670   1.270
   72    HE2  PHE  11           2HE      PHE  11  -4.210   7.588   4.111
   73    HZ   PHE  11           HZ       PHE  11  -5.732   9.257   3.136
   74    H    CYS  12           H        CYS  12   1.033   6.351   1.556
   75    HA   CYS  12           HA       CYS  12  -0.284   3.801   1.467
   76   1HB   CYS  12          2HB       CYS  12   1.817   3.152   1.878
   77   2HB   CYS  12          1HB       CYS  12   2.299   4.811   2.215
   78    HG   CYS  12           HG       CYS  12   2.412   4.673   4.762
   79    H    ARG  13           H        ARG  13  -2.042   3.413   2.594
   80    HA   ARG  13           HA       ARG  13  -3.090   5.102   4.530
   81   1HB   ARG  13          2HB       ARG  13  -4.569   3.008   5.066
   82   2HB   ARG  13          1HB       ARG  13  -4.704   3.819   3.513
   83   1HG   ARG  13          2HG       ARG  13  -3.988   2.032   2.384
   84   2HG   ARG  13          1HG       ARG  13  -2.711   1.682   3.550
   85   1HD   ARG  13          2HD       ARG  13  -4.175  -0.161   3.644
   86   2HD   ARG  13          1HD       ARG  13  -4.545   0.804   5.072
   87    HE   ARG  13           HE       ARG  13  -6.517   1.617   3.916
   88   1HH1  ARG  13          2HH1      ARG  13  -4.947  -1.226   2.597
   89   2HH1  ARG  13          1HH1      ARG  13  -6.347  -1.757   1.716
   90   1HH2  ARG  13          2HH2      ARG  13  -8.377   0.901   2.790
   91   2HH2  ARG  13          1HH2      ARG  13  -8.300  -0.540   1.832
   92    H    VAL  14           H        VAL  14  -0.672   2.782   4.953
   93    HA   VAL  14           HA       VAL  14  -1.223   1.965   7.613
   94    HB   VAL  14           HB       VAL  14   1.480   2.055   6.268
   95   1HG1  VAL  14          1HG1      VAL  14   1.243   1.635   8.796
   96   2HG1  VAL  14          2HG1      VAL  14   0.548   0.083   8.327
   97   3HG1  VAL  14          3HG1      VAL  14   2.196   0.490   7.849
   98   1HG2  VAL  14          1HG2      VAL  14   1.047   0.090   5.177
   99   2HG2  VAL  14          2HG2      VAL  14  -0.187  -0.406   6.337
  100   3HG2  VAL  14          3HG2      VAL  14  -0.556   0.823   5.130
  101    H    CYS  15           H        CYS  15   0.741   4.578   6.245
  102    HA   CYS  15           HA       CYS  15   1.051   5.651   8.965
  103   1HB   CYS  15          2HB       CYS  15   3.285   6.264   8.528
  104   2HB   CYS  15          1HB       CYS  15   3.132   4.635   7.884
  105    H    LYS  16           H        LYS  16  -0.214   6.176   5.944
  106    HA   LYS  16           HA       LYS  16  -1.309   7.896   4.978
  107   1HB   LYS  16          2HB       LYS  16  -1.162   8.705   7.736
  108   2HB   LYS  16          1HB       LYS  16  -1.005  10.110   6.691
  109   1HG   LYS  16          2HG       LYS  16  -3.122   9.934   5.896
  110   2HG   LYS  16          1HG       LYS  16  -3.153   8.177   6.051
  111   1HD   LYS  16          2HD       LYS  16  -3.819   8.244   8.231
  112   2HD   LYS  16          1HD       LYS  16  -3.004   9.779   8.543
  113   1HE   LYS  16          2HE       LYS  16  -4.743  11.027   7.674
  114   2HE   LYS  16          1HE       LYS  16  -5.353   9.691   6.698
  115   1HZ   LYS  16          1HZ       LYS  16  -5.995   8.600   8.832
  116   2HZ   LYS  16          2HZ       LYS  16  -6.850  10.022   8.487
  117   3HZ   LYS  16          3HZ       LYS  16  -5.603  10.041   9.638
  118    H    ASP  17           H        ASP  17   1.650   7.491   4.806
  119    HA   ASP  17           HA       ASP  17   2.459  10.193   3.971
  120   1HB   ASP  17          2HB       ASP  17   3.844   8.495   5.535
  121   2HB   ASP  17          1HB       ASP  17   4.418   7.968   3.961
  122    H    GLY  18           H        GLY  18   3.720  10.381   2.008
  123   1HA   GLY  18          1HA       GLY  18   2.894   8.428  -0.050
  124   2HA   GLY  18          2HA       GLY  18   3.218  10.129  -0.374
  125    H    GLY  19           H        GLY  19   4.646   9.047  -2.035
  126   1HA   GLY  19          1HA       GLY  19   7.100   9.370  -2.270
  127   2HA   GLY  19          2HA       GLY  19   7.263   8.402  -0.810
  128    H    GLU  20           H        GLU  20   7.843   6.373  -1.154
  129    HA   GLU  20           HA       GLU  20   7.618   5.174  -3.774
  130   1HB   GLU  20          2HB       GLU  20   8.357   3.564  -1.374
  131   2HB   GLU  20          1HB       GLU  20   9.035   3.531  -2.996
  132   1HG   GLU  20          2HG       GLU  20  10.773   4.533  -1.998
  133   2HG   GLU  20          1HG       GLU  20   9.804   5.987  -2.227
  134    H    LEU  21           H        LEU  21   5.370   5.137  -4.071
  135    HA   LEU  21           HA       LEU  21   3.831   3.567  -2.144
  136   1HB   LEU  21          2HB       LEU  21   2.978   5.514  -4.277
  137   2HB   LEU  21          1HB       LEU  21   1.859   4.607  -3.278
  138    HG   LEU  21           HG       LEU  21   3.857   6.645  -2.297
  139   1HD1  LEU  21          1HD1      LEU  21   2.283   8.169  -2.590
  140   2HD1  LEU  21          2HD1      LEU  21   1.314   6.961  -3.431
  141   3HD1  LEU  21          3HD1      LEU  21   1.112   7.198  -1.696
  142   1HD2  LEU  21          1HD2      LEU  21   2.322   6.304  -0.191
  143   2HD2  LEU  21          2HD2      LEU  21   2.077   4.706  -0.900
  144   3HD2  LEU  21          3HD2      LEU  21   3.703   5.249  -0.487
  145    H    LEU  22           H        LEU  22   3.645   1.530  -2.594
  146    HA   LEU  22           HA       LEU  22   3.444   0.498  -5.302
  147   1HB   LEU  22          2HB       LEU  22   3.656  -0.608  -2.567
  148   2HB   LEU  22          1HB       LEU  22   2.689  -1.549  -3.684
  149    HG   LEU  22           HG       LEU  22   5.515  -0.708  -4.269
  150   1HD1  LEU  22          1HD1      LEU  22   6.258  -2.276  -2.894
  151   2HD1  LEU  22          2HD1      LEU  22   4.606  -2.617  -2.381
  152   3HD1  LEU  22          3HD1      LEU  22   5.300  -3.486  -3.749
  153   1HD2  LEU  22          1HD2      LEU  22   4.090  -1.276  -6.197
  154   2HD2  LEU  22          2HD2      LEU  22   5.416  -2.416  -5.969
  155   3HD2  LEU  22          3HD2      LEU  22   3.781  -2.855  -5.475
  156    H    CYS  23           H        CYS  23   1.553   0.514  -6.364
  157    HA   CYS  23           HA       CYS  23  -0.853   1.205  -4.921
  158   1HB   CYS  23          2HB       CYS  23   0.024   1.186  -7.744
  159   2HB   CYS  23          1HB       CYS  23  -1.690   0.895  -7.473
  160    HG   CYS  23           HG       CYS  23   0.120   3.696  -6.763
  161    H    CYS  24           H        CYS  24  -2.384  -0.120  -4.300
  162    HA   CYS  24           HA       CYS  24  -2.356  -2.838  -4.236
  163   1HB   CYS  24          2HB       CYS  24  -4.543  -0.799  -4.227
  164   2HB   CYS  24          1HB       CYS  24  -4.944  -2.509  -4.155
  165    H    ASP  25           H        ASP  25  -3.215  -4.502  -5.446
  166    HA   ASP  25           HA       ASP  25  -3.481  -4.041  -8.293
  167   1HB   ASP  25          2HB       ASP  25  -2.298  -6.044  -7.354
  168   2HB   ASP  25          1HB       ASP  25  -3.846  -6.618  -6.748
  169    H    THR  26           H        THR  26  -5.490  -5.134  -5.621
  170    HA   THR  26           HA       THR  26  -7.839  -5.245  -7.342
  171    HB   THR  26           HB       THR  26  -8.806  -6.164  -5.075
  172    HG1  THR  26           1HG      THR  26  -7.035  -5.646  -3.752
  173   1HG2  THR  26          1HG2      THR  26  -8.032  -8.401  -5.671
  174   2HG2  THR  26          2HG2      THR  26  -6.747  -7.704  -6.660
  175   3HG2  THR  26          3HG2      THR  26  -8.436  -7.483  -7.122
  176    H    CYS  27           H        CYS  27  -6.478  -3.452  -4.722
  177    HA   CYS  27           HA       CYS  27  -8.978  -2.016  -4.247
  178   1HB   CYS  27          2HB       CYS  27  -6.787  -1.565  -2.379
  179   2HB   CYS  27          1HB       CYS  27  -8.416  -2.162  -2.070
  180    HA   PRO  28           HA       PRO  28  -7.081   1.751  -5.618
  181   1HB   PRO  28          2HB       PRO  28  -8.558   3.601  -4.396
  182   2HB   PRO  28          1HB       PRO  28  -9.312   2.420  -5.474
  183   1HG   PRO  28          2HG       PRO  28  -9.282   2.526  -2.498
  184   2HG   PRO  28          1HG       PRO  28 -10.567   1.983  -3.589
  185   1HD   PRO  28          2HD       PRO  28  -8.721   0.348  -2.221
  186   2HD   PRO  28          1HD       PRO  28  -9.804  -0.154  -3.534
  187    H    SER  29           H        SER  29  -6.118   0.630  -2.799
  188    HA   SER  29           HA       SER  29  -5.208   3.057  -1.532
  189   1HB   SER  29          2HB       SER  29  -4.009   0.824  -0.306
  190   2HB   SER  29          1HB       SER  29  -5.416   1.726   0.256
  191    HG   SER  29           HG       SER  29  -5.304  -0.628  -1.305
  192    H    SER  30           H        SER  30  -2.926   3.158  -0.751
  193    HA   SER  30           HA       SER  30  -1.005   2.074  -2.683
  194   1HB   SER  30          2HB       SER  30  -0.193   4.649  -1.583
  195   2HB   SER  30          1HB       SER  30  -0.242   4.120  -3.264
  196    HG   SER  30           HG       SER  30  -2.457   4.637  -3.305
  197    H    TYR  31           H        TYR  31   1.064   1.616  -1.771
  198    HA   TYR  31           HA       TYR  31   1.108   1.619   1.175
  199   1HB   TYR  31          2HB       TYR  31   1.392  -0.655  -0.753
  200   2HB   TYR  31          1HB       TYR  31   2.201  -0.726   0.809
  201    HD1  TYR  31           1HD      TYR  31  -1.002  -0.841  -0.925
  202    HD2  TYR  31           2HD      TYR  31   0.902  -0.807   2.876
  203    HE1  TYR  31           1HE      TYR  31  -3.090  -1.607   0.120
  204    HE2  TYR  31           2HE      TYR  31  -1.177  -1.577   3.929
  205    HH   TYR  31           HH       TYR  31  -3.904  -2.651   2.061
  206    H    HIS  32           H        HIS  32   3.196   1.269   2.132
  207    HA   HIS  32           HA       HIS  32   5.405   2.246   0.457
  208   1HB   HIS  32          2HB       HIS  32   4.821   2.365   3.387
  209   2HB   HIS  32          1HB       HIS  32   6.502   2.279   2.883
  210    HD2  HIS  32           2HD      HIS  32   6.671   4.383   0.530
  211    HE1  HIS  32           1HE      HIS  32   4.676   7.014   3.178
  212    HE2  HIS  32           2HE      HIS  32   6.241   6.860   1.185
  213    H    ILE  33           H        ILE  33   7.297   1.024   0.315
  214    HA   ILE  33           HA       ILE  33   6.955  -1.781   0.491
  215    HB   ILE  33           HB       ILE  33   9.567  -1.695   0.120
  216   1HG1  ILE  33          2HG1      ILE  33   8.761   1.030  -0.901
  217   1HG2  ILE  33          1HG2      ILE  33   7.410  -2.041  -1.462
  218   2HG2  ILE  33          2HG2      ILE  33   8.147  -0.633  -2.224
  219   3HG2  ILE  33          3HG2      ILE  33   9.077  -2.119  -2.033
  220   1HD1  ILE  33          1HD1      ILE  33  11.044   1.421  -1.289
  221   2HD1  ILE  33          2HD1      ILE  33  11.525  -0.018  -0.392
  222   3HD1  ILE  33          3HD1      ILE  33  10.716  -0.181  -1.950
  223    H    HIS  34           H        HIS  34   7.773   0.465   2.857
  224    HA   HIS  34           HA       HIS  34   8.979  -1.647   4.515
  225   1HB   HIS  34          2HB       HIS  34   9.550   0.959   5.591
  226   2HB   HIS  34          1HB       HIS  34  10.669  -0.303   5.095
  227    HD2  HIS  34           2HD      HIS  34   8.735   2.657   3.322
  228    HE1  HIS  34           1HE      HIS  34  12.462   1.983   1.438
  229    HE2  HIS  34           2HE      HIS  34  10.458   3.526   1.573
  230    H    CYS  35           H        CYS  35   6.147  -0.240   4.061
  231    HA   CYS  35           HA       CYS  35   5.603   0.180   6.915
  232   1HB   CYS  35          2HB       CYS  35   4.270   1.156   4.415
  233   2HB   CYS  35          1HB       CYS  35   3.339   1.042   5.906
  234    H    LEU  36           H        LEU  36   5.676  -2.291   4.918
  235    HA   LEU  36           HA       LEU  36   3.172  -3.516   5.844
  236   1HB   LEU  36          2HB       LEU  36   5.120  -4.617   3.818
  237   2HB   LEU  36          1HB       LEU  36   3.497  -5.194   4.153
  238    HG   LEU  36           HG       LEU  36   3.771  -2.386   3.233
  239   1HD1  LEU  36          1HD1      LEU  36   3.537  -3.662   0.861
  240   2HD1  LEU  36          2HD1      LEU  36   5.046  -3.001   1.494
  241   3HD1  LEU  36          3HD1      LEU  36   4.680  -4.715   1.696
  242   1HD2  LEU  36          1HD2      LEU  36   1.652  -2.759   2.313
  243   2HD2  LEU  36          2HD2      LEU  36   1.859  -4.510   2.322
  244   3HD2  LEU  36          3HD2      LEU  36   1.625  -3.643   3.839
  245    H    ARG  37           H        ARG  37   3.504  -5.967   6.291
  246    HA   ARG  37           HA       ARG  37   5.434  -6.207   8.404
  247   1HB   ARG  37          2HB       ARG  37   3.522  -8.198   7.179
  248   2HB   ARG  37          1HB       ARG  37   4.602  -8.589   8.509
  249   1HG   ARG  37          2HG       ARG  37   2.639  -6.326   8.661
  250   2HG   ARG  37          1HG       ARG  37   2.212  -7.981   9.098
  251   1HD   ARG  37          2HD       ARG  37   3.197  -7.775  11.083
  252   2HD   ARG  37          1HD       ARG  37   4.696  -7.220  10.338
  253    HE   ARG  37           HE       ARG  37   2.453  -5.491  11.171
  254   1HH1  ARG  37          2HH1      ARG  37   5.849  -5.987  10.449
  255   2HH1  ARG  37          1HH1      ARG  37   6.302  -4.348  10.825
  256   1HH2  ARG  37          2HH2      ARG  37   3.034  -3.342  11.681
  257   2HH2  ARG  37          1HH2      ARG  37   4.687  -2.830  11.513
  258    HA   PRO  38           HA       PRO  38   7.828  -8.930   5.332
  259   1HB   PRO  38          2HB       PRO  38   6.573  -9.377   2.853
  260   2HB   PRO  38          1HB       PRO  38   6.700 -10.529   4.183
  261   1HG   PRO  38          2HG       PRO  38   4.340  -9.353   3.216
  262   2HG   PRO  38          1HG       PRO  38   4.521 -10.270   4.718
  263   1HD   PRO  38          2HD       PRO  38   4.453  -7.325   4.290
  264   2HD   PRO  38          1HD       PRO  38   3.881  -8.284   5.672
  265    H    ALA  39           H        ALA  39   8.762  -6.776   5.392
  266    HA   ALA  39           HA       ALA  39   8.204  -4.808   3.478
  267   1HB   ALA  39          1HB       ALA  39   9.200  -4.095   5.476
  268   2HB   ALA  39          2HB       ALA  39  10.539  -5.233   5.320
  269   3HB   ALA  39          3HB       ALA  39  10.430  -3.846   4.237
  270    H    LEU  40           H        LEU  40   9.327  -4.085   1.684
  271    HA   LEU  40           HA       LEU  40  11.049  -6.097   0.391
  272   1HB   LEU  40          2HB       LEU  40   9.368  -3.922  -0.871
  273   2HB   LEU  40          1HB       LEU  40  10.381  -5.059  -1.741
  274    HG   LEU  40           HG       LEU  40   8.657  -6.631  -0.169
  275   1HD1  LEU  40          1HD1      LEU  40   7.454  -4.138  -0.538
  276   2HD1  LEU  40          2HD1      LEU  40   6.709  -5.204  -1.730
  277   3HD1  LEU  40          3HD1      LEU  40   6.680  -5.635  -0.020
  278   1HD2  LEU  40          1HD2      LEU  40   8.362  -7.687  -2.129
  279   2HD2  LEU  40          2HD2      LEU  40   7.902  -6.207  -2.971
  280   3HD2  LEU  40          3HD2      LEU  40   9.605  -6.582  -2.716
  281    H    TYR  41           H        TYR  41  12.999  -5.436  -0.488
  282    HA   TYR  41           HA       TYR  41  13.975  -2.867   0.531
  283   1HB   TYR  41          2HB       TYR  41  15.243  -5.452  -0.242
  284   2HB   TYR  41          1HB       TYR  41  16.202  -3.986  -0.412
  285    HD1  TYR  41           1HD      TYR  41  13.798  -3.771   2.218
  286    HD2  TYR  41           2HD      TYR  41  17.683  -5.221   1.282
  287    HE1  TYR  41           1HE      TYR  41  14.333  -3.860   4.613
  288    HE2  TYR  41           2HE      TYR  41  18.235  -5.313   3.678
  289    HH   TYR  41           HH       TYR  41  17.535  -4.362   5.773
  290    H    GLU  42           H        GLU  42  12.525  -3.913  -2.135
  291    HA   GLU  42           HA       GLU  42  13.701  -1.796  -3.750
  292   1HB   GLU  42          2HB       GLU  42  13.867  -4.641  -4.360
  293   2HB   GLU  42          1HB       GLU  42  13.051  -3.740  -5.633
  294   1HG   GLU  42          2HG       GLU  42  15.288  -2.213  -4.961
  295   2HG   GLU  42          1HG       GLU  42  15.844  -3.887  -4.993
  296    H    VAL  43           H        VAL  43  12.223  -1.123  -5.499
  297    HA   VAL  43           HA       VAL  43   9.448  -1.441  -4.604
  298    HB   VAL  43           HB       VAL  43  10.365   0.598  -6.613
  299   1HG1  VAL  43          1HG1      VAL  43   7.884  -0.105  -5.720
  300   2HG1  VAL  43          2HG1      VAL  43   8.283   1.255  -4.670
  301   3HG1  VAL  43          3HG1      VAL  43   8.307   1.456  -6.422
  302   1HG2  VAL  43          1HG2      VAL  43  10.091   1.773  -4.034
  303   2HG2  VAL  43          2HG2      VAL  43  11.264   0.460  -3.935
  304   3HG2  VAL  43          3HG2      VAL  43  11.494   1.764  -5.101
  305    HA   PRO  44           HA       PRO  44   8.954  -4.036  -8.266
  306   1HB   PRO  44          2HB       PRO  44   6.242  -4.368  -7.211
  307   2HB   PRO  44          1HB       PRO  44   7.485  -5.587  -7.499
  308   1HG   PRO  44          2HG       PRO  44   6.742  -4.856  -5.012
  309   2HG   PRO  44          1HG       PRO  44   8.403  -5.341  -5.401
  310   1HD   PRO  44          2HD       PRO  44   7.267  -2.592  -5.040
  311   2HD   PRO  44          1HD       PRO  44   8.819  -3.253  -4.483
  312    H    ASP  45           H        ASP  45   7.012  -4.161  -9.859
  313    HA   ASP  45           HA       ASP  45   6.428  -1.422 -10.641
  314   1HB   ASP  45          2HB       ASP  45   7.019  -3.745 -12.049
  315   2HB   ASP  45          1HB       ASP  45   5.296  -3.512 -12.334
  316    H    GLY  46           H        GLY  46   4.037  -1.947 -12.093
  317   1HA   GLY  46          1HA       GLY  46   2.093  -1.780  -9.945
  318   2HA   GLY  46          2HA       GLY  46   1.775  -1.583 -11.663
  319    H    GLU  47           H        GLU  47   3.448  -4.292 -10.233
  320    HA   GLU  47           HA       GLU  47   1.137  -6.024 -10.794
  321   1HB   GLU  47          2HB       GLU  47   4.040  -6.694 -11.310
  322   2HB   GLU  47          1HB       GLU  47   2.671  -7.759 -11.587
  323   1HG   GLU  47          2HG       GLU  47   1.856  -5.843 -13.147
  324   2HG   GLU  47          1HG       GLU  47   3.553  -5.366 -13.121
  325    H    TRP  48           H        TRP  48   1.100  -5.255  -8.401
  326    HA   TRP  48           HA       TRP  48   2.475  -7.295  -6.795
  327   1HB   TRP  48          2HB       TRP  48   3.817  -5.337  -6.519
  328   2HB   TRP  48          1HB       TRP  48   2.402  -4.311  -6.328
  329    HD1  TRP  48           HD       TRP  48   4.309  -7.077  -4.418
  330    HE1  TRP  48           1HE      TRP  48   3.941  -6.712  -1.896
  331    HE3  TRP  48           3HE      TRP  48   0.996  -3.188  -4.646
  332    HZ2  TRP  48           2HZ      TRP  48   2.439  -4.996  -0.232
  333    HZ3  TRP  48           3HZ      TRP  48   0.139  -2.249  -2.543
  334    HH2  TRP  48           HH       TRP  48   0.853  -3.128  -0.381
  335    H    GLN  49           H        GLN  49   1.240  -8.217  -5.247
  336    HA   GLN  49           HA       GLN  49  -1.432  -7.071  -4.837
  337   1HB   GLN  49          2HB       GLN  49  -0.493  -9.838  -5.183
  338   2HB   GLN  49          1HB       GLN  49  -1.665  -9.607  -3.889
  339   1HG   GLN  49          2HG       GLN  49  -2.235  -8.367  -6.524
  340   2HG   GLN  49          1HG       GLN  49  -2.399 -10.116  -6.375
  341   1HE2  GLN  49          1HE2      GLN  49  -3.243  -7.266  -4.373
  342   2HE2  GLN  49          2HE2      GLN  49  -4.862  -7.778  -4.058
  343    H    CYS  50           H        CYS  50  -1.991  -6.429  -2.927
  344    HA   CYS  50           HA       CYS  50  -0.071  -6.003  -0.954
  345   1HB   CYS  50          2HB       CYS  50  -2.502  -5.448   0.190
  346   2HB   CYS  50          1HB       CYS  50  -1.602  -4.356  -0.871
  347    HA   PRO  51           HA       PRO  51  -0.844  -9.582   1.634
  348   1HB   PRO  51          2HB       PRO  51   1.007  -9.046   3.498
  349   2HB   PRO  51          1HB       PRO  51   1.459  -9.573   1.875
  350   1HG   PRO  51          2HG       PRO  51   1.602  -6.872   3.095
  351   2HG   PRO  51          1HG       PRO  51   2.636  -7.607   1.859
  352   1HD   PRO  51          2HD       PRO  51   0.502  -5.799   1.437
  353   2HD   PRO  51          1HD       PRO  51   1.389  -6.709   0.202
  354    H    ARG  52           H        ARG  52  -1.966  -6.609   1.997
  355    HA   ARG  52           HA       ARG  52  -2.723  -6.894   4.827
  356   1HB   ARG  52          2HB       ARG  52  -1.548  -4.763   3.722
  357   2HB   ARG  52          1HB       ARG  52  -3.217  -4.361   3.348
  358   1HG   ARG  52          2HG       ARG  52  -3.785  -4.057   5.544
  359   2HG   ARG  52          1HG       ARG  52  -2.532  -5.152   6.133
  360   1HD   ARG  52          2HD       ARG  52  -0.821  -3.513   5.559
  361   2HD   ARG  52          1HD       ARG  52  -2.059  -2.420   4.945
  362    HE   ARG  52           HE       ARG  52  -2.919  -2.307   7.260
  363   1HH1  ARG  52          2HH1      ARG  52   0.362  -3.390   6.706
  364   2HH1  ARG  52          1HH1      ARG  52   0.942  -2.890   8.266
  365   1HH2  ARG  52          2HH2      ARG  52  -2.169  -1.636   9.321
  366   2HH2  ARG  52          1HH2      ARG  52  -0.511  -1.909   9.755
  367    H    CYS  53           H        CYS  53  -4.212  -5.207   2.061
  368    HA   CYS  53           HA       CYS  53  -6.843  -5.909   2.903
  369   1HB   CYS  53          2HB       CYS  53  -6.900  -4.995   0.247
  370   2HB   CYS  53          1HB       CYS  53  -7.210  -4.057   1.707
  371    H    THR  54           H        THR  54  -4.482  -7.156   0.766
  372    HA   THR  54           HA       THR  54  -4.231  -9.012  -0.433
  373    HB   THR  54           HB       THR  54  -6.308 -10.769   0.158
  374    HG1  THR  54           1HG      THR  54  -6.753  -9.054   1.870
  375   1HG2  THR  54          1HG2      THR  54  -3.832 -11.134   0.017
  376   2HG2  THR  54          2HG2      THR  54  -4.618 -11.944   1.372
  377   3HG2  THR  54          3HG2      THR  54  -3.705 -10.457   1.640
  378    H    CYS  55           H        CYS  55  -7.783  -8.508  -0.353
  379    HA   CYS  55           HA       CYS  55  -7.779  -8.006  -3.178
  380   1HB   CYS  55          2HB       CYS  55  -8.745 -10.629  -2.118
  381   2HB   CYS  55          1HB       CYS  55  -9.591  -9.897  -3.474
  382    HG   CYS  55           HG       CYS  55  -6.314  -9.905  -3.966
  383    HA   PRO  56           HA       PRO  56 -12.180  -7.302  -1.610
  384   1HB   PRO  56          2HB       PRO  56 -12.707  -8.406   0.976
  385   2HB   PRO  56          1HB       PRO  56 -13.307  -8.962  -0.585
  386   1HG   PRO  56          2HG       PRO  56 -11.561 -10.371   1.013
  387   2HG   PRO  56          1HG       PRO  56 -11.744 -10.606  -0.734
  388   1HD   PRO  56          2HD       PRO  56  -9.673  -9.051   0.765
  389   2HD   PRO  56          1HD       PRO  56  -9.489 -10.088  -0.666
  390    H    ALA  57           H        ALA  57 -10.966  -5.230  -1.317
  391    HA   ALA  57           HA       ALA  57 -11.175  -4.258   1.459
  392   1HB   ALA  57          1HB       ALA  57  -8.920  -4.147   0.293
  393   2HB   ALA  57          2HB       ALA  57  -9.631  -2.902  -0.732
  394   3HB   ALA  57          3HB       ALA  57  -9.516  -2.649   1.010
  395    H    LEU  58           H        LEU  58 -13.154  -4.520  -0.891
  396    HA   LEU  58           HA       LEU  58 -13.947  -1.724  -1.183
  397   1HB   LEU  58          2HB       LEU  58 -14.224  -4.058  -2.788
  398   2HB   LEU  58          1HB       LEU  58 -15.834  -3.507  -2.364
  399    HG   LEU  58           HG       LEU  58 -13.939  -1.449  -3.348
  400   1HD1  LEU  58          1HD1      LEU  58 -15.346  -2.971  -5.446
  401   2HD1  LEU  58          2HD1      LEU  58 -13.801  -2.123  -5.499
  402   3HD1  LEU  58          3HD1      LEU  58 -13.907  -3.719  -4.757
  403   1HD2  LEU  58          1HD2      LEU  58 -16.625  -1.718  -4.479
  404   2HD2  LEU  58          2HD2      LEU  58 -16.588  -1.503  -2.728
  405   3HD2  LEU  58          3HD2      LEU  58 -15.820  -0.313  -3.779
  406    H    LYS  59           H        LYS  59 -15.262  -4.817  -0.033
  407    HA   LYS  59           HA       LYS  59 -17.286  -3.320   1.496
  408   1HB   LYS  59          2HB       LYS  59 -17.263  -5.945   0.173
  409   2HB   LYS  59          1HB       LYS  59 -17.932  -5.972   1.799
  410   1HG   LYS  59          2HG       LYS  59 -19.820  -5.533   0.609
  411   2HG   LYS  59          1HG       LYS  59 -19.273  -3.881   0.909
  412   1HD   LYS  59          2HD       LYS  59 -17.970  -4.774  -1.429
  413   2HD   LYS  59          1HD       LYS  59 -19.670  -5.219  -1.585
  414   1HE   LYS  59          2HE       LYS  59 -19.775  -2.662  -0.575
  415   2HE   LYS  59          1HE       LYS  59 -18.403  -2.602  -1.678
  416   1HZ   LYS  59          1HZ       LYS  59 -21.165  -3.463  -2.339
  417   2HZ   LYS  59          2HZ       LYS  59 -19.848  -3.558  -3.403
  418   3HZ   LYS  59          3HZ       LYS  59 -20.390  -2.046  -2.859
  419    H    GLY  60           H        GLY  60 -16.252  -2.729   3.323
  420   1HA   GLY  60          1HA       GLY  60 -16.022  -3.906   5.604
  421   2HA   GLY  60          2HA       GLY  60 -14.754  -4.802   4.780
  422    H    LYS  61           H        LYS  61 -12.756  -4.007   4.825
  423    HA   LYS  61           HA       LYS  61 -12.361  -1.139   5.180
  424   1HB   LYS  61          2HB       LYS  61 -12.265  -2.700   7.394
  425   2HB   LYS  61          1HB       LYS  61 -10.598  -2.834   6.850
  426   1HG   LYS  61          2HG       LYS  61 -10.174  -0.908   7.851
  427   2HG   LYS  61          1HG       LYS  61 -11.236  -0.108   6.690
  428   1HD   LYS  61          2HD       LYS  61 -12.801  -1.398   8.723
  429   2HD   LYS  61          1HD       LYS  61 -11.590  -0.351   9.470
  430   1HE   LYS  61          2HE       LYS  61 -12.479   1.552   8.571
  431   2HE   LYS  61          1HE       LYS  61 -13.119   0.715   7.157
  432   1HZ   LYS  61          1HZ       LYS  61 -14.454   1.409   9.527
  433   2HZ   LYS  61          2HZ       LYS  61 -14.434  -0.282   9.409
  434   3HZ   LYS  61          3HZ       LYS  61 -15.081   0.647   8.146
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -7.671  11.369   8.175
    2   2H    GLY   1          2H        GLY   1  -9.300  11.761   7.927
    3   3H    GLY   1          3H        GLY   1  -8.481  10.787   6.804
    4   1HA   GLY   1          2HA       GLY   1  -8.106   9.319   8.960
    5   2HA   GLY   1          1HA       GLY   1  -9.618  10.099   9.397
    6    HA   PRO   2           HA       PRO   2 -10.835   6.380   7.037
    7   1HB   PRO   2          2HB       PRO   2 -13.293   6.163   8.206
    8   2HB   PRO   2          1HB       PRO   2 -11.817   5.482   8.898
    9   1HG   PRO   2          2HG       PRO   2 -13.235   8.024   9.584
   10   2HG   PRO   2          1HG       PRO   2 -12.477   6.833  10.658
   11   1HD   PRO   2          2HD       PRO   2 -11.273   9.162  10.007
   12   2HD   PRO   2          1HD       PRO   2 -10.359   7.669  10.306
   13    H    LEU   3           H        LEU   3 -12.363   9.489   7.420
   14    HA   LEU   3           HA       LEU   3 -14.424   9.050   5.471
   15   1HB   LEU   3          2HB       LEU   3 -13.306  11.639   6.543
   16   2HB   LEU   3          1HB       LEU   3 -14.785  11.469   5.618
   17    HG   LEU   3           HG       LEU   3 -14.305  10.272   8.347
   18   1HD1  LEU   3          1HD1      LEU   3 -14.748  12.296   9.135
   19   2HD1  LEU   3          2HD1      LEU   3 -15.100  12.917   7.522
   20   3HD1  LEU   3          3HD1      LEU   3 -16.371  12.132   8.460
   21   1HD2  LEU   3          1HD2      LEU   3 -16.469   9.469   8.302
   22   2HD2  LEU   3          2HD2      LEU   3 -16.961  10.563   7.010
   23   3HD2  LEU   3          3HD2      LEU   3 -15.932   9.177   6.648
   24    H    GLY   4           H        GLY   4 -14.365   9.350   3.328
   25   1HA   GLY   4          1HA       GLY   4 -13.586  10.088   1.256
   26   2HA   GLY   4          2HA       GLY   4 -12.239  10.878   2.063
   27    H    SER   5           H        SER   5 -10.930   8.980   3.356
   28    HA   SER   5           HA       SER   5  -9.625   7.535   1.288
   29   1HB   SER   5          2HB       SER   5  -9.278   7.059   4.246
   30   2HB   SER   5          1HB       SER   5  -8.086   6.865   2.957
   31    HG   SER   5           HG       SER   5  -8.273   9.185   2.639
   32    H    ASP   6           H        ASP   6 -12.467   6.890   2.848
   33    HA   ASP   6           HA       ASP   6 -12.329   4.085   3.245
   34   1HB   ASP   6          2HB       ASP   6 -14.105   5.386   4.268
   35   2HB   ASP   6          1HB       ASP   6 -14.683   5.906   2.689
   36    H    HIS   7           H        HIS   7 -12.983   6.140   0.498
   37    HA   HIS   7           HA       HIS   7 -13.668   3.927  -1.245
   38   1HB   HIS   7          2HB       HIS   7 -14.328   6.528  -1.361
   39   2HB   HIS   7          1HB       HIS   7 -12.885   6.569  -2.366
   40    HD2  HIS   7           2HD      HIS   7 -13.323   3.822  -4.044
   41    HE1  HIS   7           1HE      HIS   7 -17.053   5.548  -5.044
   42    HE2  HIS   7           2HE      HIS   7 -15.268   3.895  -5.760
   43    H    HIS   8           H        HIS   8 -11.085   6.366  -1.181
   44    HA   HIS   8           HA       HIS   8  -9.047   4.398  -1.606
   45   1HB   HIS   8          2HB       HIS   8  -8.180   5.699  -3.683
   46   2HB   HIS   8          1HB       HIS   8  -9.465   4.519  -3.906
   47    HD2  HIS   8           2HD      HIS   8  -9.242   8.443  -3.476
   48    HE1  HIS   8           1HE      HIS   8 -12.497   7.419  -5.981
   49    HE2  HIS   8           2HE      HIS   8 -11.059   9.319  -5.115
   50    H    MET   9           H        MET   9  -6.851   5.506  -1.690
   51    HA   MET   9           HA       MET   9  -6.886   8.204  -0.603
   52   1HB   MET   9          2HB       MET   9  -5.694   7.690   1.387
   53   2HB   MET   9          1HB       MET   9  -7.059   6.588   1.320
   54   1HG   MET   9          2HG       MET   9  -4.347   5.788   0.344
   55   2HG   MET   9          1HG       MET   9  -4.794   5.668   2.043
   56   1HE   MET   9          1HE       MET   9  -7.353   2.878   2.213
   57   2HE   MET   9          2HE       MET   9  -6.236   3.944   3.065
   58   3HE   MET   9          3HE       MET   9  -7.664   4.614   2.277
   59    H    GLU  10           H        GLU  10  -5.105   9.375  -1.036
   60    HA   GLU  10           HA       GLU  10  -3.245   8.253  -2.973
   61   1HB   GLU  10          2HB       GLU  10  -2.628  10.975  -2.431
   62   2HB   GLU  10          1HB       GLU  10  -3.371  10.298  -3.870
   63   1HG   GLU  10          2HG       GLU  10  -4.783  12.029  -3.078
   64   2HG   GLU  10          1HG       GLU  10  -5.581  10.496  -2.737
   65    H    PHE  11           H        PHE  11  -2.932   7.307  -0.353
   66    HA   PHE  11           HA       PHE  11  -0.148   7.834   0.062
   67   1HB   PHE  11          2HB       PHE  11  -0.398   8.497   2.455
   68   2HB   PHE  11          1HB       PHE  11  -0.955   9.723   1.325
   69    HD1  PHE  11           1HD      PHE  11  -1.913   7.374   3.935
   70    HD2  PHE  11           2HD      PHE  11  -3.331  10.231   1.116
   71    HE1  PHE  11           1HE      PHE  11  -4.066   7.471   5.118
   72    HE2  PHE  11           2HE      PHE  11  -5.488  10.329   2.295
   73    HZ   PHE  11           HZ       PHE  11  -5.855   8.949   4.299
   74    H    CYS  12           H        CYS  12   0.637   6.487   1.961
   75    HA   CYS  12           HA       CYS  12  -0.652   3.906   1.694
   76   1HB   CYS  12          2HB       CYS  12   1.434   3.149   1.897
   77   2HB   CYS  12          1HB       CYS  12   2.002   4.798   2.121
   78    HG   CYS  12           HG       CYS  12   2.539   4.680   4.622
   79    H    ARG  13           H        ARG  13  -2.148   3.237   3.015
   80    HA   ARG  13           HA       ARG  13  -3.222   4.773   5.015
   81   1HB   ARG  13          2HB       ARG  13  -4.360   2.566   5.736
   82   2HB   ARG  13          1HB       ARG  13  -4.658   3.187   4.120
   83   1HG   ARG  13          2HG       ARG  13  -3.450   1.522   3.106
   84   2HG   ARG  13          1HG       ARG  13  -2.448   1.238   4.531
   85   1HD   ARG  13          2HD       ARG  13  -3.996  -0.612   4.151
   86   2HD   ARG  13          1HD       ARG  13  -4.337   0.211   5.673
   87    HE   ARG  13           HE       ARG  13  -6.313   1.074   4.756
   88   1HH1  ARG  13          2HH1      ARG  13  -4.599  -0.989   2.500
   89   2HH1  ARG  13          1HH1      ARG  13  -5.950  -1.148   1.416
   90   1HH2  ARG  13          2HH2      ARG  13  -8.100   0.849   3.344
   91   2HH2  ARG  13          1HH2      ARG  13  -7.929  -0.087   1.879
   92    H    VAL  14           H        VAL  14  -0.633   2.480   5.316
   93    HA   VAL  14           HA       VAL  14  -0.865   1.951   8.068
   94    HB   VAL  14           HB       VAL  14   1.676   1.909   6.441
   95   1HG1  VAL  14          1HG1      VAL  14   2.079   1.747   8.815
   96   2HG1  VAL  14          2HG1      VAL  14   0.853   0.491   8.970
   97   3HG1  VAL  14          3HG1      VAL  14   2.336   0.168   8.068
   98   1HG2  VAL  14          1HG2      VAL  14  -0.695   0.391   6.101
   99   2HG2  VAL  14          2HG2      VAL  14   0.858   0.191   5.290
  100   3HG2  VAL  14          3HG2      VAL  14   0.531  -0.673   6.793
  101    H    CYS  15           H        CYS  15   1.824   3.816   6.651
  102    HA   CYS  15           HA       CYS  15   2.191   5.168   9.154
  103   1HB   CYS  15          2HB       CYS  15   4.245   5.918   8.301
  104   2HB   CYS  15          1HB       CYS  15   4.025   4.336   7.567
  105    H    LYS  16           H        LYS  16   0.252   5.735   6.545
  106    HA   LYS  16           HA       LYS  16  -1.151   7.413   5.973
  107   1HB   LYS  16          2HB       LYS  16   0.024   8.833   8.363
  108   2HB   LYS  16          1HB       LYS  16  -1.340   9.423   7.423
  109   1HG   LYS  16          2HG       LYS  16  -1.297   6.778   8.858
  110   2HG   LYS  16          1HG       LYS  16  -1.966   8.263   9.534
  111   1HD   LYS  16          2HD       LYS  16  -3.499   8.383   7.579
  112   2HD   LYS  16          1HD       LYS  16  -2.889   6.810   7.061
  113   1HE   LYS  16          2HE       LYS  16  -3.635   6.669   9.811
  114   2HE   LYS  16          1HE       LYS  16  -4.969   7.362   8.890
  115   1HZ   LYS  16          1HZ       LYS  16  -5.128   4.955   8.985
  116   2HZ   LYS  16          2HZ       LYS  16  -3.590   4.802   8.286
  117   3HZ   LYS  16          3HZ       LYS  16  -4.862   5.469   7.391
  118    H    ASP  17           H        ASP  17   2.090   7.529   5.670
  119    HA   ASP  17           HA       ASP  17   2.370  10.207   4.644
  120   1HB   ASP  17          2HB       ASP  17   4.156   8.358   5.556
  121   2HB   ASP  17          1HB       ASP  17   4.351   8.197   3.815
  122    H    GLY  18           H        GLY  18   2.725  10.793   2.495
  123   1HA   GLY  18          1HA       GLY  18   1.534   8.924   0.540
  124   2HA   GLY  18          2HA       GLY  18   1.428  10.679   0.435
  125    H    GLY  19           H        GLY  19   2.709  11.574  -0.998
  126   1HA   GLY  19          1HA       GLY  19   4.582  11.998  -2.269
  127   2HA   GLY  19          2HA       GLY  19   5.463  10.847  -1.273
  128    H    GLU  20           H        GLU  20   6.408   9.489  -2.640
  129    HA   GLU  20           HA       GLU  20   4.922   8.467  -4.946
  130   1HB   GLU  20          2HB       GLU  20   7.800   8.059  -4.105
  131   2HB   GLU  20          1HB       GLU  20   7.076   7.414  -5.573
  132   1HG   GLU  20          2HG       GLU  20   7.320  10.338  -4.905
  133   2HG   GLU  20          1HG       GLU  20   8.407   9.444  -5.967
  134    H    LEU  21           H        LEU  21   3.819   6.639  -4.793
  135    HA   LEU  21           HA       LEU  21   4.584   4.722  -2.694
  136   1HB   LEU  21          2HB       LEU  21   1.734   5.174  -3.501
  137   2HB   LEU  21          1HB       LEU  21   2.361   4.467  -2.025
  138    HG   LEU  21           HG       LEU  21   3.256   7.179  -2.191
  139   1HD1  LEU  21          1HD1      LEU  21   1.196   7.296  -3.694
  140   2HD1  LEU  21          2HD1      LEU  21   0.263   6.984  -2.232
  141   3HD1  LEU  21          3HD1      LEU  21   1.281   8.421  -2.337
  142   1HD2  LEU  21          1HD2      LEU  21   1.137   6.209  -0.328
  143   2HD2  LEU  21          2HD2      LEU  21   2.761   5.525  -0.237
  144   3HD2  LEU  21          3HD2      LEU  21   2.521   7.258  -0.017
  145    H    LEU  22           H        LEU  22   3.564   2.588  -2.981
  146    HA   LEU  22           HA       LEU  22   3.358   1.828  -5.816
  147   1HB   LEU  22          2HB       LEU  22   4.970   0.350  -5.276
  148   2HB   LEU  22          1HB       LEU  22   4.758   0.619  -3.558
  149    HG   LEU  22           HG       LEU  22   2.574  -0.904  -4.084
  150   1HD1  LEU  22          1HD1      LEU  22   4.330  -2.645  -5.510
  151   2HD1  LEU  22          2HD1      LEU  22   2.728  -2.063  -5.967
  152   3HD1  LEU  22          3HD1      LEU  22   4.159  -1.132  -6.401
  153   1HD2  LEU  22          1HD2      LEU  22   3.783  -1.612  -2.295
  154   2HD2  LEU  22          2HD2      LEU  22   4.298  -2.831  -3.459
  155   3HD2  LEU  22          3HD2      LEU  22   5.327  -1.437  -3.126
  156    H    CYS  23           H        CYS  23   1.323   1.538  -6.385
  157    HA   CYS  23           HA       CYS  23  -0.690   1.303  -4.321
  158   1HB   CYS  23          2HB       CYS  23  -1.210   1.491  -7.281
  159   2HB   CYS  23          1HB       CYS  23  -2.242   2.013  -5.954
  160    HG   CYS  23           HG       CYS  23  -1.020   4.139  -7.559
  161    H    CYS  24           H        CYS  24  -2.398  -0.210  -4.331
  162    HA   CYS  24           HA       CYS  24  -1.782  -2.867  -4.592
  163   1HB   CYS  24          2HB       CYS  24  -4.503  -1.593  -4.890
  164   2HB   CYS  24          1HB       CYS  24  -4.191  -3.269  -4.464
  165    H    ASP  25           H        ASP  25  -2.621  -4.490  -6.013
  166    HA   ASP  25           HA       ASP  25  -2.865  -3.607  -8.808
  167   1HB   ASP  25          2HB       ASP  25  -1.286  -5.556  -7.968
  168   2HB   ASP  25          1HB       ASP  25  -2.774  -6.495  -8.027
  169    H    THR  26           H        THR  26  -4.644  -4.427  -6.124
  170    HA   THR  26           HA       THR  26  -6.951  -5.268  -7.744
  171    HB   THR  26           HB       THR  26  -7.774  -6.202  -5.481
  172    HG1  THR  26           1HG      THR  26  -6.332  -5.483  -3.993
  173   1HG2  THR  26          1HG2      THR  26  -5.823  -7.292  -7.384
  174   2HG2  THR  26          2HG2      THR  26  -7.341  -7.976  -6.798
  175   3HG2  THR  26          3HG2      THR  26  -5.876  -8.128  -5.830
  176    H    CYS  27           H        CYS  27  -6.341  -3.860  -4.539
  177    HA   CYS  27           HA       CYS  27  -8.789  -2.392  -4.586
  178   1HB   CYS  27          2HB       CYS  27  -6.884  -1.700  -2.501
  179   2HB   CYS  27          1HB       CYS  27  -8.476  -2.443  -2.360
  180    HA   PRO  28           HA       PRO  28  -7.037   1.497  -5.846
  181   1HB   PRO  28          2HB       PRO  28  -8.858   3.213  -4.776
  182   2HB   PRO  28          1HB       PRO  28  -9.211   2.149  -6.138
  183   1HG   PRO  28          2HG       PRO  28 -10.200   2.026  -3.399
  184   2HG   PRO  28          1HG       PRO  28 -10.774   1.163  -4.833
  185   1HD   PRO  28          2HD       PRO  28  -9.036   0.219  -2.699
  186   2HD   PRO  28          1HD       PRO  28  -9.808  -0.706  -4.000
  187    H    SER  29           H        SER  29  -5.979   0.465  -3.245
  188    HA   SER  29           HA       SER  29  -5.578   2.919  -1.721
  189   1HB   SER  29          2HB       SER  29  -4.185   0.823  -0.485
  190   2HB   SER  29          1HB       SER  29  -5.764   1.462  -0.025
  191    HG   SER  29           HG       SER  29  -5.158  -0.742  -1.702
  192    H    SER  30           H        SER  30  -3.326   3.243  -0.820
  193    HA   SER  30           HA       SER  30  -1.285   2.566  -2.826
  194   1HB   SER  30          2HB       SER  30  -1.295   5.168  -1.292
  195   2HB   SER  30          1HB       SER  30  -0.356   4.747  -2.725
  196    HG   SER  30           HG       SER  30  -3.064   5.469  -2.505
  197    H    TYR  31           H        TYR  31   0.786   2.104  -2.005
  198    HA   TYR  31           HA       TYR  31   0.976   1.917   0.929
  199   1HB   TYR  31          2HB       TYR  31   1.188  -0.245  -1.123
  200   2HB   TYR  31          1HB       TYR  31   2.172  -0.353   0.333
  201    HD1  TYR  31           1HD      TYR  31  -1.168  -0.590  -1.064
  202    HD2  TYR  31           2HD      TYR  31   1.096  -0.566   2.537
  203    HE1  TYR  31           1HE      TYR  31  -3.087  -1.528   0.144
  204    HE2  TYR  31           2HE      TYR  31  -0.825  -1.492   3.758
  205    HH   TYR  31           HH       TYR  31  -3.673  -2.638   2.083
  206    H    HIS  32           H        HIS  32   3.188   1.243   1.624
  207    HA   HIS  32           HA       HIS  32   5.293   2.304  -0.128
  208   1HB   HIS  32          2HB       HIS  32   4.989   2.503   2.868
  209   2HB   HIS  32          1HB       HIS  32   6.559   2.636   2.092
  210    HD2  HIS  32           2HD      HIS  32   6.083   4.722  -0.229
  211    HE1  HIS  32           1HE      HIS  32   4.154   7.088   2.713
  212    HE2  HIS  32           2HE      HIS  32   5.355   7.120   0.470
  213    H    ILE  33           H        ILE  33   7.281   1.081  -0.011
  214    HA   ILE  33           HA       ILE  33   6.794  -1.704   0.134
  215    HB   ILE  33           HB       ILE  33   9.352  -1.822  -0.200
  216   1HG1  ILE  33          2HG1      ILE  33   9.070   1.035  -1.066
  217   1HG2  ILE  33          1HG2      ILE  33   7.550  -2.074  -1.928
  218   2HG2  ILE  33          2HG2      ILE  33   7.757  -0.361  -2.294
  219   3HG2  ILE  33          3HG2      ILE  33   9.096  -1.485  -2.538
  220   1HD1  ILE  33          1HD1      ILE  33  11.547   0.928  -0.284
  221   2HD1  ILE  33          2HD1      ILE  33  11.324  -0.813  -0.464
  222   3HD1  ILE  33          3HD1      ILE  33  11.079   0.255  -1.846
  223    H    HIS  34           H        HIS  34   7.941   0.566   2.451
  224    HA   HIS  34           HA       HIS  34   9.054  -1.574   4.114
  225   1HB   HIS  34          2HB       HIS  34  10.023   0.334   5.438
  226   2HB   HIS  34          1HB       HIS  34  10.591   0.224   3.776
  227    HD2  HIS  34           2HD      HIS  34   8.462   2.560   6.046
  228    HE1  HIS  34           1HE      HIS  34   9.051   4.438   2.301
  229    HE2  HIS  34           2HE      HIS  34   7.925   4.625   4.567
  230    H    CYS  35           H        CYS  35   6.144  -0.122   3.767
  231    HA   CYS  35           HA       CYS  35   5.631   0.156   6.629
  232   1HB   CYS  35          2HB       CYS  35   3.985   0.981   4.230
  233   2HB   CYS  35          1HB       CYS  35   3.527   1.261   5.909
  234    H    LEU  36           H        LEU  36   5.796  -2.413   4.977
  235    HA   LEU  36           HA       LEU  36   3.275  -3.559   5.986
  236   1HB   LEU  36          2HB       LEU  36   4.872  -4.938   3.870
  237   2HB   LEU  36          1HB       LEU  36   3.160  -5.065   4.229
  238    HG   LEU  36           HG       LEU  36   3.909  -2.405   3.304
  239   1HD1  LEU  36          1HD1      LEU  36   5.355  -3.048   1.721
  240   2HD1  LEU  36          2HD1      LEU  36   4.901  -4.747   1.859
  241   3HD1  LEU  36          3HD1      LEU  36   3.926  -3.650   0.882
  242   1HD2  LEU  36          1HD2      LEU  36   1.730  -4.273   3.191
  243   2HD2  LEU  36          2HD2      LEU  36   1.729  -2.533   2.898
  244   3HD2  LEU  36          3HD2      LEU  36   2.090  -3.650   1.581
  245    H    ARG  37           H        ARG  37   3.587  -5.979   6.474
  246    HA   ARG  37           HA       ARG  37   5.766  -6.276   8.308
  247   1HB   ARG  37          2HB       ARG  37   3.358  -7.757   7.653
  248   2HB   ARG  37          1HB       ARG  37   4.736  -8.835   7.841
  249   1HG   ARG  37          2HG       ARG  37   3.789  -6.815   9.864
  250   2HG   ARG  37          1HG       ARG  37   3.521  -8.556   9.934
  251   1HD   ARG  37          2HD       ARG  37   6.030  -6.993  10.365
  252   2HD   ARG  37          1HD       ARG  37   5.338  -8.293  11.332
  253    HE   ARG  37           HE       ARG  37   5.987  -9.712   9.266
  254   1HH1  ARG  37          2HH1      ARG  37   7.796  -7.005  10.549
  255   2HH1  ARG  37          1HH1      ARG  37   9.327  -7.571   9.949
  256   1HH2  ARG  37          2HH2      ARG  37   7.983 -10.460   8.465
  257   2HH2  ARG  37          1HH2      ARG  37   9.435  -9.553   8.780
  258    HA   PRO  38           HA       PRO  38   7.684  -9.115   4.942
  259   1HB   PRO  38          2HB       PRO  38   6.107  -9.066   2.538
  260   2HB   PRO  38          1HB       PRO  38   6.456 -10.448   3.578
  261   1HG   PRO  38          2HG       PRO  38   3.963  -9.333   3.261
  262   2HG   PRO  38          1HG       PRO  38   4.468 -10.267   4.678
  263   1HD   PRO  38          2HD       PRO  38   4.299  -7.304   4.324
  264   2HD   PRO  38          1HD       PRO  38   3.872  -8.295   5.735
  265    H    ALA  39           H        ALA  39   8.345  -6.692   5.346
  266    HA   ALA  39           HA       ALA  39   8.016  -4.739   3.414
  267   1HB   ALA  39          1HB       ALA  39   9.156  -3.510   4.870
  268   2HB   ALA  39          2HB       ALA  39   9.359  -4.968   5.842
  269   3HB   ALA  39          3HB       ALA  39  10.601  -4.506   4.678
  270    H    LEU  40           H        LEU  40   9.298  -3.944   1.765
  271    HA   LEU  40           HA       LEU  40  11.270  -5.839   0.672
  272   1HB   LEU  40          2HB       LEU  40   9.449  -4.029  -0.919
  273   2HB   LEU  40          1HB       LEU  40  10.570  -5.214  -1.559
  274    HG   LEU  40           HG       LEU  40   8.854  -6.642   0.148
  275   1HD1  LEU  40          1HD1      LEU  40   7.432  -4.515  -0.121
  276   2HD1  LEU  40          2HD1      LEU  40   7.184  -5.070  -1.777
  277   3HD1  LEU  40          3HD1      LEU  40   6.674  -6.079  -0.423
  278   1HD2  LEU  40          1HD2      LEU  40   8.004  -7.465  -2.143
  279   2HD2  LEU  40          2HD2      LEU  40   9.243  -6.401  -2.810
  280   3HD2  LEU  40          3HD2      LEU  40   9.698  -7.716  -1.727
  281    H    TYR  41           H        TYR  41  12.953  -4.858  -0.613
  282    HA   TYR  41           HA       TYR  41  13.615  -2.160   0.350
  283   1HB   TYR  41          2HB       TYR  41  15.375  -4.341  -0.795
  284   2HB   TYR  41          1HB       TYR  41  15.944  -2.732  -0.363
  285    HD1  TYR  41           1HD      TYR  41  15.349  -6.034   0.800
  286    HD2  TYR  41           2HD      TYR  41  15.591  -1.984   2.086
  287    HE1  TYR  41           1HE      TYR  41  15.704  -6.794   3.111
  288    HE2  TYR  41           2HE      TYR  41  15.949  -2.736   4.396
  289    HH   TYR  41           HH       TYR  41  15.267  -5.740   5.477
  290    H    GLU  42           H        GLU  42  12.420  -3.783  -2.280
  291    HA   GLU  42           HA       GLU  42  12.933  -1.467  -3.983
  292   1HB   GLU  42          2HB       GLU  42  13.876  -4.129  -4.503
  293   2HB   GLU  42          1HB       GLU  42  12.670  -3.696  -5.708
  294   1HG   GLU  42          2HG       GLU  42  15.191  -2.200  -5.048
  295   2HG   GLU  42          1HG       GLU  42  14.835  -3.093  -6.525
  296    H    VAL  43           H        VAL  43  11.316  -1.457  -5.850
  297    HA   VAL  43           HA       VAL  43   8.707  -2.022  -4.661
  298    HB   VAL  43           HB       VAL  43   9.157  -0.461  -7.196
  299   1HG1  VAL  43          1HG1      VAL  43   7.063   0.093  -5.149
  300   2HG1  VAL  43          2HG1      VAL  43   7.026   0.344  -6.895
  301   3HG1  VAL  43          3HG1      VAL  43   6.862  -1.283  -6.234
  302   1HG2  VAL  43          1HG2      VAL  43   9.091   0.753  -4.443
  303   2HG2  VAL  43          2HG2      VAL  43  10.590   0.393  -5.297
  304   3HG2  VAL  43          3HG2      VAL  43   9.445   1.548  -5.978
  305    HA   PRO  44           HA       PRO  44   8.278  -5.423  -7.528
  306   1HB   PRO  44          2HB       PRO  44   5.741  -5.994  -6.284
  307   2HB   PRO  44          1HB       PRO  44   7.264  -6.865  -6.111
  308   1HG   PRO  44          2HG       PRO  44   6.078  -5.430  -4.094
  309   2HG   PRO  44          1HG       PRO  44   7.816  -5.767  -4.187
  310   1HD   PRO  44          2HD       PRO  44   6.323  -3.281  -4.937
  311   2HD   PRO  44          1HD       PRO  44   7.890  -3.452  -4.114
  312    H    ASP  45           H        ASP  45   7.917  -3.580  -9.116
  313    HA   ASP  45           HA       ASP  45   5.260  -2.701  -9.647
  314   1HB   ASP  45          2HB       ASP  45   7.189  -1.358 -10.337
  315   2HB   ASP  45          1HB       ASP  45   7.716  -2.645 -11.418
  316    H    GLY  46           H        GLY  46   3.689  -3.894 -10.458
  317   1HA   GLY  46          1HA       GLY  46   2.877  -5.072 -12.455
  318   2HA   GLY  46          2HA       GLY  46   4.388  -5.972 -12.441
  319    H    GLU  47           H        GLU  47   4.708  -7.594 -10.901
  320    HA   GLU  47           HA       GLU  47   2.230  -8.794  -9.982
  321   1HB   GLU  47          2HB       GLU  47   5.001  -9.729 -10.457
  322   2HB   GLU  47          1HB       GLU  47   4.091 -10.560  -9.202
  323   1HG   GLU  47          2HG       GLU  47   3.294 -10.238 -12.084
  324   2HG   GLU  47          1HG       GLU  47   3.844 -11.717 -11.294
  325    H    TRP  48           H        TRP  48   1.465  -8.032  -8.147
  326    HA   TRP  48           HA       TRP  48   2.829  -8.563  -5.720
  327   1HB   TRP  48          2HB       TRP  48   3.990  -6.455  -6.258
  328   2HB   TRP  48          1HB       TRP  48   2.438  -5.633  -6.387
  329    HD1  TRP  48           HD       TRP  48   4.521  -7.503  -3.698
  330    HE1  TRP  48           1HE      TRP  48   3.995  -6.454  -1.400
  331    HE3  TRP  48           3HE      TRP  48   0.930  -4.156  -5.146
  332    HZ2  TRP  48           2HZ      TRP  48   2.294  -4.460  -0.359
  333    HZ3  TRP  48           3HZ      TRP  48  -0.097  -2.718  -3.434
  334    HH2  TRP  48           HH       TRP  48   0.571  -2.869  -1.089
  335    H    GLN  49           H        GLN  49   1.365  -8.983  -4.218
  336    HA   GLN  49           HA       GLN  49  -1.276  -7.715  -4.435
  337   1HB   GLN  49          2HB       GLN  49  -0.934 -10.377  -4.823
  338   2HB   GLN  49          1HB       GLN  49  -1.153 -10.338  -3.078
  339   1HG   GLN  49          2HG       GLN  49  -3.074  -8.831  -4.768
  340   2HG   GLN  49          1HG       GLN  49  -3.188 -10.589  -4.726
  341   1HE2  GLN  49          1HE2      GLN  49  -3.615  -7.648  -2.959
  342   2HE2  GLN  49          2HE2      GLN  49  -4.365  -8.352  -1.572
  343    H    CYS  50           H        CYS  50  -1.853  -6.632  -2.708
  344    HA   CYS  50           HA       CYS  50  -0.074  -6.095  -0.646
  345   1HB   CYS  50          2HB       CYS  50  -2.528  -5.258   0.249
  346   2HB   CYS  50          1HB       CYS  50  -1.485  -4.356  -0.856
  347    HA   PRO  51           HA       PRO  51  -1.247  -9.355   2.188
  348   1HB   PRO  51          2HB       PRO  51   0.659  -8.919   4.008
  349   2HB   PRO  51          1HB       PRO  51   1.054  -9.572   2.414
  350   1HG   PRO  51          2HG       PRO  51   1.431  -6.818   3.476
  351   2HG   PRO  51          1HG       PRO  51   2.440  -7.738   2.347
  352   1HD   PRO  51          2HD       PRO  51   0.541  -5.774   1.672
  353   2HD   PRO  51          1HD       PRO  51   1.314  -6.916   0.558
  354    H    ARG  52           H        ARG  52  -2.716  -6.828   2.218
  355    HA   ARG  52           HA       ARG  52  -3.359  -6.749   5.061
  356   1HB   ARG  52          2HB       ARG  52  -1.687  -4.905   4.443
  357   2HB   ARG  52          1HB       ARG  52  -3.013  -4.171   3.552
  358   1HG   ARG  52          2HG       ARG  52  -4.319  -3.957   5.555
  359   2HG   ARG  52          1HG       ARG  52  -3.113  -4.851   6.482
  360   1HD   ARG  52          2HD       ARG  52  -1.756  -2.735   5.222
  361   2HD   ARG  52          1HD       ARG  52  -3.237  -2.055   5.889
  362    HE   ARG  52           HE       ARG  52  -1.060  -3.331   7.395
  363   1HH1  ARG  52          2HH1      ARG  52  -4.166  -1.682   7.426
  364   2HH1  ARG  52          1HH1      ARG  52  -4.058  -1.255   9.109
  365   1HH2  ARG  52          2HH2      ARG  52  -0.949  -2.794   9.610
  366   2HH2  ARG  52          1HH2      ARG  52  -2.241  -1.887  10.344
  367    H    CYS  53           H        CYS  53  -4.243  -5.191   1.943
  368    HA   CYS  53           HA       CYS  53  -7.001  -5.205   2.813
  369   1HB   CYS  53          2HB       CYS  53  -7.009  -4.009   0.371
  370   2HB   CYS  53          1HB       CYS  53  -6.799  -3.168   1.900
  371    H    THR  54           H        THR  54  -6.747  -7.634   2.582
  372    HA   THR  54           HA       THR  54  -6.874  -8.828   0.015
  373    HB   THR  54           HB       THR  54  -8.355 -10.496   1.618
  374    HG1  THR  54           1HG      THR  54  -6.758 -10.246   3.594
  375   1HG2  THR  54          1HG2      THR  54  -6.484 -11.286   0.398
  376   2HG2  THR  54          2HG2      THR  54  -6.097 -11.572   2.095
  377   3HG2  THR  54          3HG2      THR  54  -5.379 -10.201   1.246
  378    H    CYS  55           H        CYS  55  -9.072  -7.173   2.051
  379    HA   CYS  55           HA       CYS  55 -10.918  -6.958  -0.180
  380   1HB   CYS  55          2HB       CYS  55 -12.373  -6.753   2.324
  381   2HB   CYS  55          1HB       CYS  55 -12.753  -7.706   0.895
  382    HG   CYS  55           HG       CYS  55 -11.423  -9.961   1.643
  383    HA   PRO  56           HA       PRO  56  -9.461  -2.842   0.696
  384   1HB   PRO  56          2HB       PRO  56 -11.533  -1.617  -0.782
  385   2HB   PRO  56          1HB       PRO  56  -9.914  -2.017  -1.358
  386   1HG   PRO  56          2HG       PRO  56 -12.468  -3.491  -1.709
  387   2HG   PRO  56          1HG       PRO  56 -11.058  -3.403  -2.780
  388   1HD   PRO  56          2HD       PRO  56 -11.596  -5.593  -1.324
  389   2HD   PRO  56          1HD       PRO  56  -9.927  -5.064  -1.630
  390    H    ALA  57           H        ALA  57 -12.892  -3.625   0.893
  391    HA   ALA  57           HA       ALA  57 -13.160  -1.745   3.138
  392   1HB   ALA  57          1HB       ALA  57 -15.572  -3.078   2.097
  393   2HB   ALA  57          2HB       ALA  57 -15.324  -1.405   2.595
  394   3HB   ALA  57          3HB       ALA  57 -14.792  -1.939   1.000
  395    H    LEU  58           H        LEU  58 -12.029  -3.174   4.529
  396    HA   LEU  58           HA       LEU  58 -12.736  -5.872   4.928
  397   1HB   LEU  58          2HB       LEU  58 -11.367  -3.963   6.828
  398   2HB   LEU  58          1HB       LEU  58 -11.410  -5.706   7.001
  399    HG   LEU  58           HG       LEU  58 -10.281  -4.629   4.474
  400   1HD1  LEU  58          1HD1      LEU  58  -8.505  -3.600   5.341
  401   2HD1  LEU  58          2HD1      LEU  58  -9.421  -3.530   6.847
  402   3HD1  LEU  58          3HD1      LEU  58  -8.280  -4.846   6.570
  403   1HD2  LEU  58          1HD2      LEU  58  -8.759  -6.623   5.881
  404   2HD2  LEU  58          2HD2      LEU  58 -10.453  -7.102   5.767
  405   3HD2  LEU  58          3HD2      LEU  58  -9.544  -6.719   4.305
  406    H    LYS  59           H        LYS  59 -14.883  -6.184   5.276
  407    HA   LYS  59           HA       LYS  59 -16.017  -4.932   7.693
  408   1HB   LYS  59          2HB       LYS  59 -17.410  -5.786   5.144
  409   2HB   LYS  59          1HB       LYS  59 -18.235  -5.208   6.587
  410   1HG   LYS  59          2HG       LYS  59 -17.147  -3.050   6.379
  411   2HG   LYS  59          1HG       LYS  59 -16.245  -3.623   4.977
  412   1HD   LYS  59          2HD       LYS  59 -19.191  -3.874   4.868
  413   2HD   LYS  59          1HD       LYS  59 -18.525  -2.244   4.777
  414   1HE   LYS  59          2HE       LYS  59 -16.910  -3.465   3.033
  415   2HE   LYS  59          1HE       LYS  59 -18.334  -4.487   2.858
  416   1HZ   LYS  59          1HZ       LYS  59 -19.643  -2.475   2.418
  417   2HZ   LYS  59          2HZ       LYS  59 -18.409  -2.701   1.273
  418   3HZ   LYS  59          3HZ       LYS  59 -18.230  -1.541   2.500
  419    H    GLY  60           H        GLY  60 -15.665  -7.871   5.803
  420   1HA   GLY  60          1HA       GLY  60 -16.554  -9.381   8.180
  421   2HA   GLY  60          2HA       GLY  60 -17.109  -9.831   6.575
  422    H    LYS  61           H        LYS  61 -14.185  -9.407   8.533
  423    HA   LYS  61           HA       LYS  61 -12.829 -11.358   6.794
  424   1HB   LYS  61          2HB       LYS  61 -11.952  -8.939   8.145
  425   2HB   LYS  61          1HB       LYS  61 -10.941 -10.314   8.573
  426   1HG   LYS  61          2HG       LYS  61 -11.556  -9.405   5.769
  427   2HG   LYS  61          1HG       LYS  61 -10.066  -9.076   6.654
  428   1HD   LYS  61          2HD       LYS  61  -9.446 -11.352   6.651
  429   2HD   LYS  61          1HD       LYS  61 -11.061 -11.870   6.164
  430   1HE   LYS  61          2HE       LYS  61 -10.202 -10.101   4.175
  431   2HE   LYS  61          1HE       LYS  61  -8.805 -11.111   4.540
  432   1HZ   LYS  61          1HZ       LYS  61 -11.395 -11.861   3.399
  433   2HZ   LYS  61          2HZ       LYS  61 -10.610 -12.991   4.392
  434   3HZ   LYS  61          3HZ       LYS  61  -9.832 -12.403   3.004
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -4.982  14.986   0.783
    2   2H    GLY   1          2H        GLY   1  -4.450  15.727  -0.648
    3   3H    GLY   1          3H        GLY   1  -4.975  14.112  -0.673
    4   1HA   GLY   1          2HA       GLY   1  -6.591  16.563  -0.327
    5   2HA   GLY   1          1HA       GLY   1  -6.747  15.324  -1.565
    6    HA   PRO   2           HA       PRO   2  -8.973  14.458   2.769
    7   1HB   PRO   2          2HB       PRO   2 -11.145  16.221   1.760
    8   2HB   PRO   2          1HB       PRO   2 -10.537  16.011   3.406
    9   1HG   PRO   2          2HG       PRO   2  -9.935  18.194   2.004
   10   2HG   PRO   2          1HG       PRO   2  -8.735  17.429   3.064
   11   1HD   PRO   2          2HD       PRO   2  -8.976  17.333   0.087
   12   2HD   PRO   2          1HD       PRO   2  -7.521  17.417   1.100
   13    H    LEU   3           H        LEU   3 -10.279  14.987  -0.478
   14    HA   LEU   3           HA       LEU   3 -11.910  12.556  -0.159
   15   1HB   LEU   3          2HB       LEU   3 -12.224  15.026  -1.813
   16   2HB   LEU   3          1HB       LEU   3 -12.932  13.527  -2.379
   17    HG   LEU   3           HG       LEU   3 -13.526  14.743   0.317
   18   1HD1  LEU   3          1HD1      LEU   3 -15.475  15.691  -0.557
   19   2HD1  LEU   3          2HD1      LEU   3 -14.224  16.104  -1.730
   20   3HD1  LEU   3          3HD1      LEU   3 -15.348  14.787  -2.065
   21   1HD2  LEU   3          1HD2      LEU   3 -15.042  12.646  -1.220
   22   2HD2  LEU   3          2HD2      LEU   3 -13.837  12.268   0.012
   23   3HD2  LEU   3          3HD2      LEU   3 -15.294  13.163   0.447
   24    H    GLY   4           H        GLY   4  -8.995  12.845  -0.815
   25   1HA   GLY   4          1HA       GLY   4  -8.865  11.909  -3.575
   26   2HA   GLY   4          2HA       GLY   4  -7.499  12.282  -2.534
   27    H    SER   5           H        SER   5  -9.853  10.373  -1.035
   28    HA   SER   5           HA       SER   5  -8.319   7.930  -1.618
   29   1HB   SER   5          2HB       SER   5  -9.646   7.961   0.986
   30   2HB   SER   5          1HB       SER   5  -7.975   7.561   0.580
   31    HG   SER   5           HG       SER   5  -7.640   9.897   0.409
   32    H    ASP   6           H        ASP   6 -10.296   8.275  -3.261
   33    HA   ASP   6           HA       ASP   6 -12.545   6.715  -2.160
   34   1HB   ASP   6          2HB       ASP   6 -12.814   9.236  -3.008
   35   2HB   ASP   6          1HB       ASP   6 -12.987   8.414  -4.555
   36    H    HIS   7           H        HIS   7 -11.132   7.602  -5.307
   37    HA   HIS   7           HA       HIS   7 -11.817   5.086  -6.526
   38   1HB   HIS   7          2HB       HIS   7 -11.374   7.410  -7.651
   39   2HB   HIS   7          1HB       HIS   7  -9.682   6.940  -7.554
   40    HD2  HIS   7           2HD      HIS   7  -9.298   4.253  -8.828
   41    HE1  HIS   7           1HE      HIS   7 -12.231   5.249 -11.708
   42    HE2  HIS   7           2HE      HIS   7 -10.202   3.814 -11.218
   43    H    HIS   8           H        HIS   8  -9.028   6.592  -5.066
   44    HA   HIS   8           HA       HIS   8  -7.880   3.988  -4.527
   45   1HB   HIS   8          2HB       HIS   8  -6.940   5.261  -6.737
   46   2HB   HIS   8          1HB       HIS   8  -5.884   5.948  -5.507
   47    HD2  HIS   8           2HD      HIS   8  -4.687   3.752  -3.862
   48    HE1  HIS   8           1HE      HIS   8  -4.570   1.269  -7.283
   49    HE2  HIS   8           2HE      HIS   8  -3.790   1.546  -4.884
   50    H    MET   9           H        MET   9  -5.444   6.107  -4.101
   51    HA   MET   9           HA       MET   9  -6.304   7.842  -2.110
   52   1HB   MET   9          2HB       MET   9  -5.433   6.845  -0.067
   53   2HB   MET   9          1HB       MET   9  -6.668   5.808  -0.760
   54   1HG   MET   9          2HG       MET   9  -4.677   4.551  -1.823
   55   2HG   MET   9          1HG       MET   9  -3.718   5.389  -0.606
   56   1HE   MET   9          1HE       MET   9  -5.254   5.583   1.912
   57   2HE   MET   9          2HE       MET   9  -5.093   4.032   2.737
   58   3HE   MET   9          3HE       MET   9  -3.693   4.765   1.955
   59    H    GLU  10           H        GLU  10  -4.801   9.382  -1.894
   60    HA   GLU  10           HA       GLU  10  -2.231   8.931  -3.194
   61   1HB   GLU  10          2HB       GLU  10  -2.580  11.611  -2.188
   62   2HB   GLU  10          1HB       GLU  10  -2.387  11.062  -3.847
   63   1HG   GLU  10          2HG       GLU  10  -4.527  11.409  -4.289
   64   2HG   GLU  10          1HG       GLU  10  -5.038  10.488  -2.875
   65    H    PHE  11           H        PHE  11  -2.600   7.671  -0.738
   66    HA   PHE  11           HA       PHE  11  -0.261   8.527   0.635
   67   1HB   PHE  11          2HB       PHE  11  -1.191   9.065   2.782
   68   2HB   PHE  11          1HB       PHE  11  -1.986  10.090   1.595
   69    HD1  PHE  11           1HD      PHE  11  -2.507   8.125   4.398
   70    HD2  PHE  11           2HD      PHE  11  -4.220   8.995   0.602
   71    HE1  PHE  11           1HE      PHE  11  -4.703   7.374   5.217
   72    HE2  PHE  11           2HE      PHE  11  -6.413   8.249   1.416
   73    HZ   PHE  11           HZ       PHE  11  -6.662   7.440   3.727
   74    H    CYS  12           H        CYS  12   0.207   7.051   2.460
   75    HA   CYS  12           HA       CYS  12  -0.579   4.385   1.628
   76   1HB   CYS  12          2HB       CYS  12   1.572   3.938   2.013
   77   2HB   CYS  12          1HB       CYS  12   1.794   5.618   2.486
   78    HG   CYS  12           HG       CYS  12   2.508   5.126   4.830
   79    H    ARG  13           H        ARG  13  -1.131   2.723   3.163
   80    HA   ARG  13           HA       ARG  13  -3.142   3.655   4.922
   81   1HB   ARG  13          2HB       ARG  13  -2.049   0.855   4.611
   82   2HB   ARG  13          1HB       ARG  13  -3.566   1.288   5.387
   83   1HG   ARG  13          2HG       ARG  13  -3.793   2.451   2.904
   84   2HG   ARG  13          1HG       ARG  13  -2.946   0.939   2.567
   85   1HD   ARG  13          2HD       ARG  13  -5.529   1.212   4.101
   86   2HD   ARG  13          1HD       ARG  13  -5.380   0.674   2.428
   87    HE   ARG  13           HE       ARG  13  -4.028  -1.221   3.365
   88   1HH1  ARG  13          2HH1      ARG  13  -6.443   0.428   5.307
   89   2HH1  ARG  13          1HH1      ARG  13  -6.707  -0.937   6.351
   90   1HH2  ARG  13          2HH2      ARG  13  -4.377  -2.999   4.736
   91   2HH2  ARG  13          1HH2      ARG  13  -5.525  -2.887   6.036
   92    H    VAL  14           H        VAL  14   0.055   2.251   5.541
   93    HA   VAL  14           HA       VAL  14  -0.394   2.243   8.399
   94    HB   VAL  14           HB       VAL  14   2.198   1.763   6.921
   95   1HG1  VAL  14          1HG1      VAL  14   2.227   0.294   9.241
   96   2HG1  VAL  14          2HG1      VAL  14   3.041   1.836   8.990
   97   3HG1  VAL  14          3HG1      VAL  14   1.444   1.793   9.736
   98   1HG2  VAL  14          1HG2      VAL  14   1.212  -0.660   7.864
   99   2HG2  VAL  14          2HG2      VAL  14  -0.186   0.143   7.152
  100   3HG2  VAL  14          3HG2      VAL  14   1.267  -0.123   6.186
  101    H    CYS  15           H        CYS  15   2.480   3.553   6.790
  102    HA   CYS  15           HA       CYS  15   2.404   5.878   8.503
  103   1HB   CYS  15          2HB       CYS  15   4.502   6.334   6.855
  104   2HB   CYS  15          1HB       CYS  15   4.607   5.438   8.360
  105    H    LYS  16           H        LYS  16   0.394   6.499   7.601
  106    HA   LYS  16           HA       LYS  16  -0.423   6.954   5.143
  107   1HB   LYS  16          2HB       LYS  16  -1.058   8.900   7.349
  108   2HB   LYS  16          1HB       LYS  16  -2.083   8.438   5.998
  109   1HG   LYS  16          2HG       LYS  16  -1.780   6.039   7.085
  110   2HG   LYS  16          1HG       LYS  16  -1.518   7.017   8.529
  111   1HD   LYS  16          2HD       LYS  16  -3.683   7.541   8.688
  112   2HD   LYS  16          1HD       LYS  16  -3.794   7.930   6.969
  113   1HE   LYS  16          2HE       LYS  16  -4.332   5.751   6.381
  114   2HE   LYS  16          1HE       LYS  16  -3.652   5.080   7.861
  115   1HZ   LYS  16          1HZ       LYS  16  -5.918   4.926   8.188
  116   2HZ   LYS  16          2HZ       LYS  16  -6.246   6.427   7.468
  117   3HZ   LYS  16          3HZ       LYS  16  -5.536   6.364   9.006
  118    H    ASP  17           H        ASP  17   1.792   7.578   4.383
  119    HA   ASP  17           HA       ASP  17   1.990  10.507   4.065
  120   1HB   ASP  17          2HB       ASP  17   3.840   8.998   5.193
  121   2HB   ASP  17          1HB       ASP  17   4.246   8.607   3.528
  122    H    GLY  18           H        GLY  18   3.044  11.123   1.948
  123   1HA   GLY  18          1HA       GLY  18   1.837   9.545  -0.216
  124   2HA   GLY  18          2HA       GLY  18   2.356  11.226  -0.332
  125    H    GLY  19           H        GLY  19   4.153  11.544  -1.441
  126   1HA   GLY  19          1HA       GLY  19   6.287  11.259  -2.244
  127   2HA   GLY  19          2HA       GLY  19   6.515  10.030  -1.007
  128    H    GLU  20           H        GLU  20   7.299   8.288  -1.991
  129    HA   GLU  20           HA       GLU  20   6.296   7.517  -4.623
  130   1HB   GLU  20          2HB       GLU  20   8.761   7.188  -3.258
  131   2HB   GLU  20          1HB       GLU  20   8.093   5.583  -3.519
  132   1HG   GLU  20          2HG       GLU  20   9.520   6.174  -5.355
  133   2HG   GLU  20          1HG       GLU  20   7.847   6.098  -5.909
  134    H    LEU  21           H        LEU  21   4.359   6.594  -4.506
  135    HA   LEU  21           HA       LEU  21   3.870   4.664  -2.352
  136   1HB   LEU  21          2HB       LEU  21   2.011   6.344  -4.017
  137   2HB   LEU  21          1HB       LEU  21   1.446   5.046  -2.982
  138    HG   LEU  21           HG       LEU  21   3.105   7.294  -1.881
  139   1HD1  LEU  21          1HD1      LEU  21   0.582   7.946  -1.160
  140   2HD1  LEU  21          2HD1      LEU  21   1.454   8.673  -2.511
  141   3HD1  LEU  21          3HD1      LEU  21   0.320   7.353  -2.801
  142   1HD2  LEU  21          1HD2      LEU  21   1.017   6.158  -0.232
  143   2HD2  LEU  21          2HD2      LEU  21   2.134   4.926  -0.816
  144   3HD2  LEU  21          3HD2      LEU  21   2.745   6.312   0.083
  145    H    LEU  22           H        LEU  22   4.042   2.644  -2.883
  146    HA   LEU  22           HA       LEU  22   3.555   1.667  -5.576
  147   1HB   LEU  22          2HB       LEU  22   5.102   0.233  -4.745
  148   2HB   LEU  22          1HB       LEU  22   4.679   0.587  -3.080
  149    HG   LEU  22           HG       LEU  22   2.526  -0.865  -3.761
  150   1HD1  LEU  22          1HD1      LEU  22   4.378  -1.274  -5.910
  151   2HD1  LEU  22          2HD1      LEU  22   4.133  -2.781  -5.029
  152   3HD1  LEU  22          3HD1      LEU  22   2.750  -1.917  -5.702
  153   1HD2  LEU  22          1HD2      LEU  22   4.221  -1.174  -1.905
  154   2HD2  LEU  22          2HD2      LEU  22   3.492  -2.646  -2.550
  155   3HD2  LEU  22          3HD2      LEU  22   5.126  -2.186  -3.030
  156    H    CYS  23           H        CYS  23   1.564   1.240  -6.251
  157    HA   CYS  23           HA       CYS  23  -0.561   1.181  -4.237
  158   1HB   CYS  23          2HB       CYS  23  -1.183   1.448  -7.134
  159   2HB   CYS  23          1HB       CYS  23  -1.918   2.245  -5.747
  160    HG   CYS  23           HG       CYS  23   1.094   3.383  -5.839
  161    H    CYS  24           H        CYS  24  -2.120  -0.396  -4.178
  162    HA   CYS  24           HA       CYS  24  -1.435  -2.993  -4.807
  163   1HB   CYS  24          2HB       CYS  24  -4.246  -1.940  -4.555
  164   2HB   CYS  24          1HB       CYS  24  -3.676  -3.565  -4.196
  165    H    ASP  25           H        ASP  25  -2.334  -4.495  -6.306
  166    HA   ASP  25           HA       ASP  25  -2.441  -3.512  -8.976
  167   1HB   ASP  25          2HB       ASP  25  -1.496  -5.717  -8.418
  168   2HB   ASP  25          1HB       ASP  25  -3.087  -6.272  -7.917
  169    H    THR  26           H        THR  26  -4.837  -5.697  -7.548
  170    HA   THR  26           HA       THR  26  -6.915  -4.282  -9.053
  171    HB   THR  26           HB       THR  26  -6.695  -6.695  -9.457
  172    HG1  THR  26           1HG      THR  26  -9.056  -5.773  -8.167
  173   1HG2  THR  26          1HG2      THR  26  -5.852  -7.427  -7.314
  174   2HG2  THR  26          2HG2      THR  26  -7.343  -8.295  -7.686
  175   3HG2  THR  26          3HG2      THR  26  -7.362  -6.965  -6.526
  176    H    CYS  27           H        CYS  27  -5.714  -3.550  -6.355
  177    HA   CYS  27           HA       CYS  27  -8.261  -3.281  -4.927
  178   1HB   CYS  27          2HB       CYS  27  -7.175  -4.893  -3.655
  179   2HB   CYS  27          1HB       CYS  27  -5.588  -4.221  -3.968
  180    HA   PRO  28           HA       PRO  28  -7.194   0.932  -5.154
  181   1HB   PRO  28          2HB       PRO  28  -9.186   1.980  -3.713
  182   2HB   PRO  28          1HB       PRO  28  -9.503   1.075  -5.199
  183   1HG   PRO  28          2HG       PRO  28  -9.778   0.209  -2.353
  184   2HG   PRO  28          1HG       PRO  28 -10.816  -0.156  -3.742
  185   1HD   PRO  28          2HD       PRO  28  -8.859  -1.843  -2.706
  186   2HD   PRO  28          1HD       PRO  28  -9.564  -1.965  -4.327
  187    H    SER  29           H        SER  29  -5.337  -0.094  -3.400
  188    HA   SER  29           HA       SER  29  -5.306   1.982  -1.319
  189   1HB   SER  29          2HB       SER  29  -4.105  -0.718  -0.800
  190   2HB   SER  29          1HB       SER  29  -4.654   0.494   0.357
  191    HG   SER  29           HG       SER  29  -6.300  -1.094  -1.345
  192    H    SER  30           H        SER  30  -3.106   2.438  -0.496
  193    HA   SER  30           HA       SER  30  -0.982   1.840  -2.422
  194   1HB   SER  30          2HB       SER  30  -1.267   4.631  -1.353
  195   2HB   SER  30          1HB       SER  30  -0.422   4.075  -2.797
  196    HG   SER  30           HG       SER  30  -2.575   5.188  -3.016
  197    H    TYR  31           H        TYR  31   1.071   1.810  -1.587
  198    HA   TYR  31           HA       TYR  31   1.385   2.305   1.293
  199   1HB   TYR  31          2HB       TYR  31   2.156  -0.225  -0.184
  200   2HB   TYR  31          1HB       TYR  31   2.719   0.176   1.432
  201    HD1  TYR  31           1HD      TYR  31  -0.078  -1.015  -0.569
  202    HD2  TYR  31           2HD      TYR  31   1.164   0.140   3.331
  203    HE1  TYR  31           1HE      TYR  31  -2.064  -2.109   0.380
  204    HE2  TYR  31           2HE      TYR  31  -0.822  -0.944   4.290
  205    HH   TYR  31           HH       TYR  31  -3.206  -2.585   2.195
  206    H    HIS  32           H        HIS  32   3.847   1.790   1.775
  207    HA   HIS  32           HA       HIS  32   5.485   3.145  -0.267
  208   1HB   HIS  32          2HB       HIS  32   5.901   2.720   2.709
  209   2HB   HIS  32          1HB       HIS  32   7.175   3.272   1.636
  210    HD2  HIS  32           2HD      HIS  32   6.698   5.846   0.485
  211    HE1  HIS  32           1HE      HIS  32   4.010   6.921   3.576
  212    HE2  HIS  32           2HE      HIS  32   5.287   7.754   1.538
  213    H    ILE  33           H        ILE  33   7.796   1.818   1.286
  214    HA   ILE  33           HA       ILE  33   7.298  -0.951   0.441
  215    HB   ILE  33           HB       ILE  33   9.671  -1.211  -0.137
  216   1HG1  ILE  33          2HG1      ILE  33   9.932   1.788  -0.065
  217   1HG2  ILE  33          1HG2      ILE  33   8.251   0.980  -1.642
  218   2HG2  ILE  33          2HG2      ILE  33   9.605   0.030  -2.259
  219   3HG2  ILE  33          3HG2      ILE  33   8.070  -0.758  -1.895
  220   1HD1  ILE  33          1HD1      ILE  33  12.115   1.510  -0.543
  221   2HD1  ILE  33          2HD1      ILE  33  12.222  -0.028   0.313
  222   3HD1  ILE  33          3HD1      ILE  33  11.509   0.036  -1.300
  223    H    HIS  34           H        HIS  34   7.357   0.827   3.008
  224    HA   HIS  34           HA       HIS  34   8.737  -1.170   4.645
  225   1HB   HIS  34          2HB       HIS  34   9.852   1.334   4.095
  226   2HB   HIS  34          1HB       HIS  34   9.164   1.496   5.708
  227    HD2  HIS  34           2HD      HIS  34  10.011  -0.849   7.387
  228    HE1  HIS  34           1HE      HIS  34  13.800  -0.751   5.507
  229    HE2  HIS  34           2HE      HIS  34  12.429  -1.789   7.375
  230    H    CYS  35           H        CYS  35   5.890  -0.304   4.090
  231    HA   CYS  35           HA       CYS  35   5.026   0.733   6.661
  232   1HB   CYS  35          2HB       CYS  35   3.106  -0.266   4.608
  233   2HB   CYS  35          1HB       CYS  35   2.995   1.147   5.656
  234    H    LEU  36           H        LEU  36   4.269  -2.110   4.682
  235    HA   LEU  36           HA       LEU  36   2.998  -3.443   6.878
  236   1HB   LEU  36          2HB       LEU  36   3.449  -5.314   4.838
  237   2HB   LEU  36          1HB       LEU  36   1.963  -4.454   5.192
  238    HG   LEU  36           HG       LEU  36   3.219  -2.588   3.704
  239   1HD1  LEU  36          1HD1      LEU  36   4.658  -5.049   3.250
  240   2HD1  LEU  36          2HD1      LEU  36   3.900  -4.464   1.769
  241   3HD1  LEU  36          3HD1      LEU  36   4.999  -3.419   2.669
  242   1HD2  LEU  36          1HD2      LEU  36   1.901  -3.544   1.778
  243   2HD2  LEU  36          2HD2      LEU  36   1.491  -4.894   2.840
  244   3HD2  LEU  36          3HD2      LEU  36   0.993  -3.256   3.264
  245    H    ARG  37           H        ARG  37   3.594  -5.629   7.569
  246    HA   ARG  37           HA       ARG  37   6.210  -5.794   8.526
  247   1HB   ARG  37          2HB       ARG  37   3.819  -7.368   8.696
  248   2HB   ARG  37          1HB       ARG  37   5.199  -8.425   8.434
  249   1HG   ARG  37          2HG       ARG  37   5.136  -6.314  10.571
  250   2HG   ARG  37          1HG       ARG  37   4.598  -7.974  10.830
  251   1HD   ARG  37          2HD       ARG  37   6.719  -8.410  11.376
  252   2HD   ARG  37          1HD       ARG  37   7.049  -8.312   9.646
  253    HE   ARG  37           HE       ARG  37   7.232  -5.896  11.316
  254   1HH1  ARG  37          2HH1      ARG  37   8.739  -8.267   9.213
  255   2HH1  ARG  37          1HH1      ARG  37  10.217  -7.354   9.051
  256   1HH2  ARG  37          2HH2      ARG  37   9.147  -4.712  11.094
  257   2HH2  ARG  37          1HH2      ARG  37  10.457  -5.346  10.137
  258    HA   PRO  38           HA       PRO  38   7.300  -8.773   4.907
  259   1HB   PRO  38          2HB       PRO  38   5.618  -8.983   2.816
  260   2HB   PRO  38          1HB       PRO  38   5.471 -10.020   4.240
  261   1HG   PRO  38          2HG       PRO  38   3.905  -7.588   3.496
  262   2HG   PRO  38          1HG       PRO  38   3.342  -9.111   4.204
  263   1HD   PRO  38          2HD       PRO  38   3.778  -6.825   5.651
  264   2HD   PRO  38          1HD       PRO  38   3.876  -8.460   6.333
  265    H    ALA  39           H        ALA  39   8.133  -6.392   5.194
  266    HA   ALA  39           HA       ALA  39   7.508  -4.386   3.396
  267   1HB   ALA  39          1HB       ALA  39  10.264  -4.163   4.095
  268   2HB   ALA  39          2HB       ALA  39   8.884  -3.262   4.724
  269   3HB   ALA  39          3HB       ALA  39   9.368  -4.777   5.484
  270    H    LEU  40           H        LEU  40   8.781  -3.464   1.696
  271    HA   LEU  40           HA       LEU  40   9.890  -5.542  -0.047
  272   1HB   LEU  40          2HB       LEU  40   8.575  -2.890  -0.604
  273   2HB   LEU  40          1HB       LEU  40   9.460  -3.768  -1.833
  274    HG   LEU  40           HG       LEU  40   7.296  -4.397  -2.278
  275   1HD1  LEU  40          1HD1      LEU  40   7.524  -6.602  -2.189
  276   2HD1  LEU  40          2HD1      LEU  40   8.945  -6.335  -1.177
  277   3HD1  LEU  40          3HD1      LEU  40   7.370  -6.617  -0.433
  278   1HD2  LEU  40          1HD2      LEU  40   6.798  -4.471   0.689
  279   2HD2  LEU  40          2HD2      LEU  40   6.190  -3.287  -0.470
  280   3HD2  LEU  40          3HD2      LEU  40   5.626  -4.957  -0.535
  281    H    TYR  41           H        TYR  41  11.968  -5.475  -0.569
  282    HA   TYR  41           HA       TYR  41  13.629  -3.320   0.447
  283   1HB   TYR  41          2HB       TYR  41  14.371  -5.829  -1.081
  284   2HB   TYR  41          1HB       TYR  41  15.510  -4.712  -0.335
  285    HD1  TYR  41           1HD      TYR  41  15.756  -4.619   2.088
  286    HD2  TYR  41           2HD      TYR  41  13.098  -7.390   0.258
  287    HE1  TYR  41           1HE      TYR  41  15.619  -5.872   4.198
  288    HE2  TYR  41           2HE      TYR  41  12.948  -8.648   2.364
  289    HH   TYR  41           HH       TYR  41  15.078  -8.353   4.827
  290    H    GLU  42           H        GLU  42  12.156  -4.377  -2.446
  291    HA   GLU  42           HA       GLU  42  13.178  -2.003  -3.816
  292   1HB   GLU  42          2HB       GLU  42  13.129  -3.353  -5.970
  293   2HB   GLU  42          1HB       GLU  42  14.463  -3.693  -4.875
  294   1HG   GLU  42          2HG       GLU  42  12.303  -5.415  -4.217
  295   2HG   GLU  42          1HG       GLU  42  12.566  -5.486  -5.960
  296    H    VAL  43           H        VAL  43  11.642  -1.117  -5.312
  297    HA   VAL  43           HA       VAL  43   8.959  -1.476  -4.438
  298    HB   VAL  43           HB       VAL  43   9.698   0.035  -6.929
  299   1HG1  VAL  43          1HG1      VAL  43   7.492   0.399  -6.806
  300   2HG1  VAL  43          2HG1      VAL  43   7.399  -0.154  -5.135
  301   3HG1  VAL  43          3HG1      VAL  43   7.889   1.503  -5.490
  302   1HG2  VAL  43          1HG2      VAL  43  11.298   0.919  -5.497
  303   2HG2  VAL  43          2HG2      VAL  43   9.929   2.005  -5.262
  304   3HG2  VAL  43          3HG2      VAL  43  10.268   0.746  -4.076
  305    HA   PRO  44           HA       PRO  44   8.020  -4.817  -7.231
  306   1HB   PRO  44          2HB       PRO  44   5.292  -4.571  -6.189
  307   2HB   PRO  44          1HB       PRO  44   6.428  -5.911  -6.031
  308   1HG   PRO  44          2HG       PRO  44   5.750  -4.347  -3.940
  309   2HG   PRO  44          1HG       PRO  44   7.364  -5.068  -4.102
  310   1HD   PRO  44          2HD       PRO  44   6.466  -2.272  -4.702
  311   2HD   PRO  44          1HD       PRO  44   7.953  -2.829  -3.902
  312    H    ASP  45           H        ASP  45   7.050  -5.026  -9.201
  313    HA   ASP  45           HA       ASP  45   5.046  -3.099 -10.064
  314   1HB   ASP  45          2HB       ASP  45   7.013  -1.853 -10.597
  315   2HB   ASP  45          1HB       ASP  45   7.817  -3.273 -11.258
  316    H    GLY  46           H        GLY  46   3.614  -4.048 -11.379
  317   1HA   GLY  46          1HA       GLY  46   3.444  -5.477 -13.451
  318   2HA   GLY  46          2HA       GLY  46   4.378  -6.654 -12.538
  319    H    GLU  47           H        GLU  47   3.400  -7.802 -10.856
  320    HA   GLU  47           HA       GLU  47   0.480  -7.502 -10.640
  321   1HB   GLU  47          2HB       GLU  47   1.659 -10.241 -10.495
  322   2HB   GLU  47          1HB       GLU  47   0.055  -9.740 -11.007
  323   1HG   GLU  47          2HG       GLU  47   0.813 -10.234 -13.047
  324   2HG   GLU  47          1HG       GLU  47   1.562  -8.640 -12.957
  325    H    TRP  48           H        TRP  48   1.040  -6.333  -8.690
  326    HA   TRP  48           HA       TRP  48   2.002  -8.058  -6.510
  327   1HB   TRP  48          2HB       TRP  48   3.285  -5.997  -6.832
  328   2HB   TRP  48          1HB       TRP  48   1.817  -5.039  -6.670
  329    HD1  TRP  48           HD       TRP  48   4.131  -7.293  -4.553
  330    HE1  TRP  48           1HE      TRP  48   3.897  -6.594  -2.080
  331    HE3  TRP  48           3HE      TRP  48   0.374  -3.857  -5.036
  332    HZ2  TRP  48           2HZ      TRP  48   2.325  -4.814  -0.550
  333    HZ3  TRP  48           3HZ      TRP  48  -0.439  -2.701  -3.020
  334    HH2  TRP  48           HH       TRP  48   0.519  -3.170  -0.823
  335    H    GLN  49           H        GLN  49   0.432  -8.985  -5.387
  336    HA   GLN  49           HA       GLN  49  -2.045  -7.478  -4.904
  337   1HB   GLN  49          2HB       GLN  49  -1.712 -10.123  -5.675
  338   2HB   GLN  49          1HB       GLN  49  -2.021 -10.236  -3.948
  339   1HG   GLN  49          2HG       GLN  49  -3.897  -9.980  -5.991
  340   2HG   GLN  49          1HG       GLN  49  -4.189  -9.889  -4.255
  341   1HE2  GLN  49          1HE2      GLN  49  -4.797  -7.998  -3.385
  342   2HE2  GLN  49          2HE2      GLN  49  -4.921  -6.504  -4.251
  343    H    CYS  50           H        CYS  50  -2.548  -6.846  -2.895
  344    HA   CYS  50           HA       CYS  50  -0.405  -6.642  -1.087
  345   1HB   CYS  50          2HB       CYS  50  -2.526  -5.692   0.287
  346   2HB   CYS  50          1HB       CYS  50  -1.670  -4.780  -0.956
  347    HA   PRO  51           HA       PRO  51  -1.627  -9.864   1.768
  348   1HB   PRO  51          2HB       PRO  51   0.549  -9.720   3.307
  349   2HB   PRO  51          1HB       PRO  51   0.665 -10.275   1.633
  350   1HG   PRO  51          2HG       PRO  51   1.542  -7.718   2.829
  351   2HG   PRO  51          1HG       PRO  51   2.124  -8.534   1.370
  352   1HD   PRO  51          2HD       PRO  51   0.204  -6.385   1.581
  353   2HD   PRO  51          1HD       PRO  51   0.846  -7.150   0.112
  354    H    ARG  52           H        ARG  52  -2.485  -6.921   2.149
  355    HA   ARG  52           HA       ARG  52  -2.688  -7.009   5.076
  356   1HB   ARG  52          2HB       ARG  52  -0.996  -5.315   3.710
  357   2HB   ARG  52          1HB       ARG  52  -2.397  -4.304   4.046
  358   1HG   ARG  52          2HG       ARG  52  -1.173  -3.944   5.933
  359   2HG   ARG  52          1HG       ARG  52  -2.149  -5.320   6.455
  360   1HD   ARG  52          2HD       ARG  52   0.442  -5.889   5.126
  361   2HD   ARG  52          1HD       ARG  52   0.490  -5.244   6.764
  362    HE   ARG  52           HE       ARG  52  -0.817  -7.772   5.974
  363   1HH1  ARG  52          2HH1      ARG  52   0.671  -5.711   8.401
  364   2HH1  ARG  52          1HH1      ARG  52   0.720  -6.962   9.612
  365   1HH2  ARG  52          2HH2      ARG  52  -0.756  -9.413   7.562
  366   2HH2  ARG  52          1HH2      ARG  52  -0.111  -9.061   9.142
  367    H    CYS  53           H        CYS  53  -3.868  -4.995   2.313
  368    HA   CYS  53           HA       CYS  53  -6.038  -3.988   3.696
  369   1HB   CYS  53          2HB       CYS  53  -6.405  -4.453   0.791
  370   2HB   CYS  53          1HB       CYS  53  -6.686  -3.003   1.744
  371    H    THR  54           H        THR  54  -5.845  -6.904   1.721
  372    HA   THR  54           HA       THR  54  -7.258  -8.636   1.354
  373    HB   THR  54           HB       THR  54  -8.749  -9.135   3.541
  374    HG1  THR  54           1HG      THR  54  -7.611  -7.030   4.365
  375   1HG2  THR  54          1HG2      THR  54  -7.125 -10.664   2.649
  376   2HG2  THR  54          2HG2      THR  54  -6.810 -10.459   4.371
  377   3HG2  THR  54          3HG2      THR  54  -5.797  -9.636   3.187
  378    H    CYS  55           H        CYS  55  -8.252  -6.747   0.008
  379    HA   CYS  55           HA       CYS  55 -10.794  -5.737   0.733
  380   1HB   CYS  55          2HB       CYS  55 -10.833  -5.579  -1.952
  381   2HB   CYS  55          1HB       CYS  55  -9.919  -4.463  -0.942
  382    HG   CYS  55           HG       CYS  55  -7.731  -4.882  -2.197
  383    HA   PRO  56           HA       PRO  56 -13.541  -9.051  -0.225
  384   1HB   PRO  56          2HB       PRO  56 -15.343  -7.217  -1.657
  385   2HB   PRO  56          1HB       PRO  56 -15.608  -8.108  -0.155
  386   1HG   PRO  56          2HG       PRO  56 -15.272  -5.451  -0.164
  387   2HG   PRO  56          1HG       PRO  56 -14.633  -6.462   1.146
  388   1HD   PRO  56          2HD       PRO  56 -13.199  -5.289  -1.212
  389   2HD   PRO  56          1HD       PRO  56 -12.691  -5.358   0.490
  390    H    ALA  57           H        ALA  57 -11.740  -7.705  -2.544
  391    HA   ALA  57           HA       ALA  57 -13.030  -8.870  -4.870
  392   1HB   ALA  57          1HB       ALA  57 -10.884  -6.982  -4.394
  393   2HB   ALA  57          2HB       ALA  57 -10.418  -8.212  -5.568
  394   3HB   ALA  57          3HB       ALA  57 -11.859  -7.234  -5.841
  395    H    LEU  58           H        LEU  58 -13.046 -10.939  -3.605
  396    HA   LEU  58           HA       LEU  58 -10.703 -12.536  -4.313
  397   1HB   LEU  58          2HB       LEU  58 -11.371 -11.727  -1.650
  398   2HB   LEU  58          1HB       LEU  58 -11.627 -13.456  -1.787
  399    HG   LEU  58           HG       LEU  58  -9.135 -12.967  -2.989
  400   1HD1  LEU  58          1HD1      LEU  58  -9.405 -10.748  -1.692
  401   2HD1  LEU  58          2HD1      LEU  58  -9.107 -11.736  -0.262
  402   3HD1  LEU  58          3HD1      LEU  58  -7.895 -11.646  -1.542
  403   1HD2  LEU  58          1HD2      LEU  58  -8.486 -14.629  -1.608
  404   2HD2  LEU  58          2HD2      LEU  58  -9.203 -13.875  -0.184
  405   3HD2  LEU  58          3HD2      LEU  58 -10.219 -14.772  -1.313
  406    H    LYS  59           H        LYS  59 -12.825 -12.658  -5.821
  407    HA   LYS  59           HA       LYS  59 -14.934 -14.322  -4.950
  408   1HB   LYS  59          2HB       LYS  59 -13.915 -13.671  -7.714
  409   2HB   LYS  59          1HB       LYS  59 -15.380 -14.595  -7.409
  410   1HG   LYS  59          2HG       LYS  59 -15.878 -12.435  -5.896
  411   2HG   LYS  59          1HG       LYS  59 -14.869 -11.709  -7.148
  412   1HD   LYS  59          2HD       LYS  59 -16.343 -12.654  -8.866
  413   2HD   LYS  59          1HD       LYS  59 -17.358 -13.351  -7.603
  414   1HE   LYS  59          2HE       LYS  59 -18.142 -11.277  -6.914
  415   2HE   LYS  59          1HE       LYS  59 -16.782 -10.416  -7.637
  416   1HZ   LYS  59          1HZ       LYS  59 -17.672 -10.644  -9.762
  417   2HZ   LYS  59          2HZ       LYS  59 -19.020 -10.271  -8.801
  418   3HZ   LYS  59          3HZ       LYS  59 -18.750 -11.871  -9.297
  419    H    GLY  60           H        GLY  60 -11.792 -14.973  -6.318
  420   1HA   GLY  60          1HA       GLY  60 -12.359 -17.856  -5.999
  421   2HA   GLY  60          2HA       GLY  60 -11.372 -17.245  -7.320
  422    H    LYS  61           H        LYS  61  -9.489 -15.862  -6.593
  423    HA   LYS  61           HA       LYS  61  -8.382 -16.729  -4.024
  424   1HB   LYS  61          2HB       LYS  61  -6.159 -17.062  -5.192
  425   2HB   LYS  61          1HB       LYS  61  -7.374 -18.293  -5.508
  426   1HG   LYS  61          2HG       LYS  61  -7.168 -17.950  -7.682
  427   2HG   LYS  61          1HG       LYS  61  -7.645 -16.265  -7.473
  428   1HD   LYS  61          2HD       LYS  61  -5.595 -15.705  -8.132
  429   2HD   LYS  61          1HD       LYS  61  -5.009 -16.361  -6.600
  430   1HE   LYS  61          2HE       LYS  61  -3.752 -17.640  -7.981
  431   2HE   LYS  61          1HE       LYS  61  -5.207 -18.635  -7.991
  432   1HZ   LYS  61          1HZ       LYS  61  -3.953 -17.495 -10.165
  433   2HZ   LYS  61          2HZ       LYS  61  -5.383 -16.609  -9.964
  434   3HZ   LYS  61          3HZ       LYS  61  -5.450 -18.291 -10.151
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -7.702  -0.192  13.676
    2   2H    GLY   1          2H        GLY   1  -8.680  -0.916  12.490
    3   3H    GLY   1          3H        GLY   1  -9.388  -0.016  13.744
    4   1HA   GLY   1          2HA       GLY   1  -8.179   1.971  12.911
    5   2HA   GLY   1          1HA       GLY   1  -7.708   1.002  11.521
    6    HA   PRO   2           HA       PRO   2 -12.503   2.177  11.608
    7   1HB   PRO   2          2HB       PRO   2 -11.910   5.076  11.779
    8   2HB   PRO   2          1HB       PRO   2 -13.208   4.148  12.536
    9   1HG   PRO   2          2HG       PRO   2 -11.153   5.052  13.973
   10   2HG   PRO   2          1HG       PRO   2 -11.871   3.463  14.296
   11   1HD   PRO   2          2HD       PRO   2  -9.335   4.139  12.857
   12   2HD   PRO   2          1HD       PRO   2  -9.671   2.815  13.992
   13    H    LEU   3           H        LEU   3 -13.277   2.262   9.604
   14    HA   LEU   3           HA       LEU   3 -11.566   3.400   7.521
   15   1HB   LEU   3          2HB       LEU   3 -13.612   1.253   7.634
   16   2HB   LEU   3          1HB       LEU   3 -13.440   2.123   6.120
   17    HG   LEU   3           HG       LEU   3 -10.831   1.420   6.964
   18   1HD1  LEU   3          1HD1      LEU   3 -12.861  -0.763   7.308
   19   2HD1  LEU   3          2HD1      LEU   3 -11.187  -1.110   6.876
   20   3HD1  LEU   3          3HD1      LEU   3 -11.553  -0.285   8.392
   21   1HD2  LEU   3          1HD2      LEU   3 -12.188   1.572   4.655
   22   2HD2  LEU   3          2HD2      LEU   3 -10.656   0.715   4.827
   23   3HD2  LEU   3          3HD2      LEU   3 -12.177  -0.177   4.880
   24    H    GLY   4           H        GLY   4 -12.034   5.307   6.687
   25   1HA   GLY   4          1HA       GLY   4 -14.634   6.520   7.179
   26   2HA   GLY   4          2HA       GLY   4 -13.233   7.302   6.455
   27    H    SER   5           H        SER   5 -15.351   7.943   5.149
   28    HA   SER   5           HA       SER   5 -16.074   5.999   3.135
   29   1HB   SER   5          2HB       SER   5 -16.801   8.872   2.848
   30   2HB   SER   5          1HB       SER   5 -17.779   7.429   2.575
   31    HG   SER   5           HG       SER   5 -17.142   8.719   5.013
   32    H    ASP   6           H        ASP   6 -13.444   6.183   2.936
   33    HA   ASP   6           HA       ASP   6 -12.821   8.079   0.787
   34   1HB   ASP   6          2HB       ASP   6 -11.274   6.806   2.905
   35   2HB   ASP   6          1HB       ASP   6 -10.513   6.619   1.327
   36    H    HIS   7           H        HIS   7 -13.250   7.366  -1.171
   37    HA   HIS   7           HA       HIS   7 -13.377   4.524  -1.709
   38   1HB   HIS   7          2HB       HIS   7 -13.887   5.739  -4.117
   39   2HB   HIS   7          1HB       HIS   7 -15.103   5.304  -2.925
   40    HD2  HIS   7           2HD      HIS   7 -13.374   8.442  -4.410
   41    HE1  HIS   7           1HE      HIS   7 -16.407   9.692  -1.738
   42    HE2  HIS   7           2HE      HIS   7 -14.568  10.462  -3.305
   43    H    HIS   8           H        HIS   8 -11.024   6.886  -1.883
   44    HA   HIS   8           HA       HIS   8  -9.276   5.099  -3.336
   45   1HB   HIS   8          2HB       HIS   8 -10.460   6.840  -4.949
   46   2HB   HIS   8          1HB       HIS   8  -9.235   7.927  -4.306
   47    HD2  HIS   8           2HD      HIS   8  -6.537   7.055  -4.808
   48    HE1  HIS   8           1HE      HIS   8  -7.735   4.627  -8.056
   49    HE2  HIS   8           2HE      HIS   8  -5.793   5.854  -6.986
   50    H    MET   9           H        MET   9  -7.163   5.303  -2.698
   51    HA   MET   9           HA       MET   9  -6.547   7.507  -0.849
   52   1HB   MET   9          2HB       MET   9  -6.864   4.875  -0.095
   53   2HB   MET   9          1HB       MET   9  -5.124   5.006  -0.315
   54   1HG   MET   9          2HG       MET   9  -4.877   6.503   1.388
   55   2HG   MET   9          1HG       MET   9  -6.523   7.114   1.227
   56   1HE   MET   9          1HE       MET   9  -7.378   7.019   3.739
   57   2HE   MET   9          2HE       MET   9  -8.452   6.423   2.473
   58   3HE   MET   9          3HE       MET   9  -8.317   5.548   3.996
   59    H    GLU  10           H        GLU  10  -5.052   8.721  -1.760
   60    HA   GLU  10           HA       GLU  10  -3.189   7.635  -3.701
   61   1HB   GLU  10          2HB       GLU  10  -3.352  10.433  -2.565
   62   2HB   GLU  10          1HB       GLU  10  -2.470   9.935  -4.001
   63   1HG   GLU  10          2HG       GLU  10  -4.306   9.929  -5.292
   64   2HG   GLU  10          1HG       GLU  10  -5.341   9.312  -4.006
   65    H    PHE  11           H        PHE  11  -3.289   8.321  -0.358
   66    HA   PHE  11           HA       PHE  11  -0.372   8.091  -0.135
   67   1HB   PHE  11          2HB       PHE  11  -0.650   8.825   2.200
   68   2HB   PHE  11          1HB       PHE  11  -1.308  10.001   1.071
   69    HD1  PHE  11           1HD      PHE  11  -3.790  10.147   0.775
   70    HD2  PHE  11           2HD      PHE  11  -1.994   7.829   3.861
   71    HE1  PHE  11           1HE      PHE  11  -5.920  10.134   2.004
   72    HE2  PHE  11           2HE      PHE  11  -4.126   7.804   5.087
   73    HZ   PHE  11           HZ       PHE  11  -6.091   8.961   4.162
   74    H    CYS  12           H        CYS  12   0.449   6.632   1.563
   75    HA   CYS  12           HA       CYS  12  -0.753   4.086   1.237
   76   1HB   CYS  12          2HB       CYS  12   1.170   3.211   2.114
   77   2HB   CYS  12          1HB       CYS  12   1.758   4.787   1.606
   78    HG   CYS  12           HG       CYS  12   2.925   5.061   3.878
   79    H    ARG  13           H        ARG  13  -1.792   2.768   2.675
   80    HA   ARG  13           HA       ARG  13  -3.527   4.079   4.437
   81   1HB   ARG  13          2HB       ARG  13  -2.953   1.121   4.200
   82   2HB   ARG  13          1HB       ARG  13  -4.341   1.826   5.020
   83   1HG   ARG  13          2HG       ARG  13  -4.487   2.968   2.534
   84   2HG   ARG  13          1HG       ARG  13  -3.875   1.351   2.179
   85   1HD   ARG  13          2HD       ARG  13  -6.385   2.058   3.695
   86   2HD   ARG  13          1HD       ARG  13  -6.278   1.323   2.097
   87    HE   ARG  13           HE       ARG  13  -5.848   0.022   4.666
   88   1HH1  ARG  13          2HH1      ARG  13  -5.781  -0.204   1.156
   89   2HH1  ARG  13          1HH1      ARG  13  -5.619  -1.937   1.158
   90   1HH2  ARG  13          2HH2      ARG  13  -5.665  -2.275   4.633
   91   2HH2  ARG  13          1HH2      ARG  13  -5.563  -3.097   3.103
   92    H    VAL  14           H        VAL  14  -0.865   1.820   5.165
   93    HA   VAL  14           HA       VAL  14  -1.259   1.897   7.944
   94    HB   VAL  14           HB       VAL  14   1.414   1.245   6.747
   95   1HG1  VAL  14          1HG1      VAL  14   1.450  -0.434   8.510
   96   2HG1  VAL  14          2HG1      VAL  14   1.138   1.164   9.186
   97   3HG1  VAL  14          3HG1      VAL  14  -0.187   0.016   8.991
   98   1HG2  VAL  14          1HG2      VAL  14  -1.119   0.057   6.027
   99   2HG2  VAL  14          2HG2      VAL  14   0.488  -0.238   5.364
  100   3HG2  VAL  14          3HG2      VAL  14  -0.054  -1.122   6.791
  101    H    CYS  15           H        CYS  15   1.760   3.048   6.411
  102    HA   CYS  15           HA       CYS  15   1.996   4.952   8.564
  103   1HB   CYS  15          2HB       CYS  15   4.218   5.389   7.049
  104   2HB   CYS  15          1HB       CYS  15   4.098   4.297   8.415
  105    H    LYS  16           H        LYS  16  -0.044   5.413   6.665
  106    HA   LYS  16           HA       LYS  16  -0.793   7.032   5.104
  107   1HB   LYS  16          2HB       LYS  16  -0.227   8.326   7.764
  108   2HB   LYS  16          1HB       LYS  16  -1.259   9.033   6.529
  109   1HG   LYS  16          2HG       LYS  16  -2.952   7.584   6.913
  110   2HG   LYS  16          1HG       LYS  16  -1.870   6.261   7.353
  111   1HD   LYS  16          2HD       LYS  16  -2.947   6.831   9.354
  112   2HD   LYS  16          1HD       LYS  16  -1.367   7.609   9.465
  113   1HE   LYS  16          2HE       LYS  16  -2.235   9.706   9.293
  114   2HE   LYS  16          1HE       LYS  16  -3.570   9.184   8.264
  115   1HZ   LYS  16          1HZ       LYS  16  -3.402   8.552  11.159
  116   2HZ   LYS  16          2HZ       LYS  16  -4.740   8.357  10.135
  117   3HZ   LYS  16          3HZ       LYS  16  -4.208   9.914  10.549
  118    H    ASP  17           H        ASP  17   1.493   6.908   3.940
  119    HA   ASP  17           HA       ASP  17   2.305   9.684   3.568
  120   1HB   ASP  17          2HB       ASP  17   3.790   8.736   5.337
  121   2HB   ASP  17          1HB       ASP  17   4.323   7.514   4.192
  122    H    GLY  18           H        GLY  18   3.611   9.988   1.620
  123   1HA   GLY  18          1HA       GLY  18   3.068   7.870  -0.364
  124   2HA   GLY  18          2HA       GLY  18   3.127   9.590  -0.736
  125    H    GLY  19           H        GLY  19   4.796   9.846  -2.074
  126   1HA   GLY  19          1HA       GLY  19   7.029  10.080  -2.652
  127   2HA   GLY  19          2HA       GLY  19   7.475   9.356  -1.110
  128    H    GLU  20           H        GLU  20   7.372   7.059  -0.915
  129    HA   GLU  20           HA       GLU  20   7.962   5.633  -3.395
  130   1HB   GLU  20          2HB       GLU  20   9.021   5.376  -0.897
  131   2HB   GLU  20          1HB       GLU  20   7.771   4.140  -0.844
  132   1HG   GLU  20          2HG       GLU  20   9.482   2.894  -1.644
  133   2HG   GLU  20          1HG       GLU  20   8.834   3.484  -3.173
  134    H    LEU  21           H        LEU  21   5.942   5.683  -4.373
  135    HA   LEU  21           HA       LEU  21   3.719   4.596  -2.815
  136   1HB   LEU  21          2HB       LEU  21   4.015   6.882  -4.441
  137   2HB   LEU  21          1HB       LEU  21   2.898   5.821  -5.277
  138    HG   LEU  21           HG       LEU  21   1.237   6.191  -3.799
  139   1HD1  LEU  21          1HD1      LEU  21   1.607   6.528  -1.349
  140   2HD1  LEU  21          2HD1      LEU  21   2.172   4.977  -1.973
  141   3HD1  LEU  21          3HD1      LEU  21   3.327   6.266  -1.635
  142   1HD2  LEU  21          1HD2      LEU  21   2.621   8.451  -4.306
  143   2HD2  LEU  21          2HD2      LEU  21   1.087   8.402  -3.437
  144   3HD2  LEU  21          3HD2      LEU  21   2.606   8.465  -2.542
  145    H    LEU  22           H        LEU  22   3.742   2.482  -3.121
  146    HA   LEU  22           HA       LEU  22   3.683   1.320  -5.800
  147   1HB   LEU  22          2HB       LEU  22   4.170   0.345  -3.136
  148   2HB   LEU  22          1HB       LEU  22   2.847  -0.551  -3.854
  149    HG   LEU  22           HG       LEU  22   5.461  -0.194  -5.288
  150   1HD1  LEU  22          1HD1      LEU  22   6.314  -1.292  -3.489
  151   2HD1  LEU  22          2HD1      LEU  22   4.764  -2.009  -3.051
  152   3HD1  LEU  22          3HD1      LEU  22   5.695  -2.675  -4.393
  153   1HD2  LEU  22          1HD2      LEU  22   3.510  -2.459  -5.503
  154   2HD2  LEU  22          2HD2      LEU  22   3.298  -0.969  -6.424
  155   3HD2  LEU  22          3HD2      LEU  22   4.747  -1.948  -6.650
  156    H    CYS  23           H        CYS  23   1.783   0.167  -6.521
  157    HA   CYS  23           HA       CYS  23  -0.661   1.459  -5.555
  158   1HB   CYS  23          2HB       CYS  23  -1.026  -0.102  -7.949
  159   2HB   CYS  23          1HB       CYS  23  -1.229   1.631  -7.710
  160    HG   CYS  23           HG       CYS  23   0.716   2.272  -9.227
  161    H    CYS  24           H        CYS  24  -2.205   0.359  -4.549
  162    HA   CYS  24           HA       CYS  24  -2.014  -2.209  -3.577
  163   1HB   CYS  24          2HB       CYS  24  -4.031  -0.129  -3.803
  164   2HB   CYS  24          1HB       CYS  24  -4.739  -1.736  -3.871
  165    H    ASP  25           H        ASP  25  -2.883  -4.194  -4.188
  166    HA   ASP  25           HA       ASP  25  -2.773  -4.758  -6.941
  167   1HB   ASP  25          2HB       ASP  25  -2.236  -6.418  -5.209
  168   2HB   ASP  25          1HB       ASP  25  -3.932  -6.467  -4.737
  169    H    THR  26           H        THR  26  -5.625  -5.316  -4.856
  170    HA   THR  26           HA       THR  26  -7.268  -4.696  -7.223
  171    HB   THR  26           HB       THR  26  -7.485  -7.019  -6.584
  172    HG1  THR  26           1HG      THR  26  -9.638  -5.270  -6.208
  173   1HG2  THR  26          1HG2      THR  26  -8.697  -7.392  -4.282
  174   2HG2  THR  26          2HG2      THR  26  -7.881  -5.886  -3.856
  175   3HG2  THR  26          3HG2      THR  26  -6.937  -7.287  -4.373
  176    H    CYS  27           H        CYS  27  -6.278  -3.391  -4.429
  177    HA   CYS  27           HA       CYS  27  -8.825  -2.153  -3.723
  178   1HB   CYS  27          2HB       CYS  27  -6.484  -1.446  -2.125
  179   2HB   CYS  27          1HB       CYS  27  -8.018  -2.154  -1.619
  180    HA   PRO  28           HA       PRO  28  -7.461   1.683  -5.463
  181   1HB   PRO  28          2HB       PRO  28  -9.118   3.397  -4.295
  182   2HB   PRO  28          1HB       PRO  28  -9.752   2.053  -5.257
  183   1HG   PRO  28          2HG       PRO  28  -9.635   2.379  -2.298
  184   2HG   PRO  28          1HG       PRO  28 -10.859   1.577  -3.294
  185   1HD   PRO  28          2HD       PRO  28  -8.729   0.344  -1.903
  186   2HD   PRO  28          1HD       PRO  28  -9.806  -0.418  -3.090
  187    H    SER  29           H        SER  29  -5.933   0.879  -2.934
  188    HA   SER  29           HA       SER  29  -5.335   3.546  -1.871
  189   1HB   SER  29          2HB       SER  29  -3.909   1.575  -0.431
  190   2HB   SER  29          1HB       SER  29  -5.324   2.480   0.103
  191    HG   SER  29           HG       SER  29  -5.190  -0.060  -1.139
  192    H    SER  30           H        SER  30  -2.955   3.670  -1.121
  193    HA   SER  30           HA       SER  30  -1.165   2.520  -3.124
  194   1HB   SER  30          2HB       SER  30  -0.763   5.315  -2.067
  195   2HB   SER  30          1HB       SER  30  -0.015   4.554  -3.470
  196    HG   SER  30           HG       SER  30  -2.774   5.235  -3.219
  197    H    TYR  31           H        TYR  31   1.066   2.331  -2.298
  198    HA   TYR  31           HA       TYR  31   1.203   2.335   0.645
  199   1HB   TYR  31          2HB       TYR  31   1.347   0.012  -1.215
  200   2HB   TYR  31          1HB       TYR  31   2.428   0.014   0.172
  201    HD1  TYR  31           1HD      TYR  31   1.622  -0.505   2.340
  202    HD2  TYR  31           2HD      TYR  31  -1.125   0.111  -0.848
  203    HE1  TYR  31           1HE      TYR  31  -0.189  -1.400   3.736
  204    HE2  TYR  31           2HE      TYR  31  -2.947  -0.777   0.543
  205    HH   TYR  31           HH       TYR  31  -3.226  -2.260   2.466
  206    H    HIS  32           H        HIS  32   3.459   1.579   1.331
  207    HA   HIS  32           HA       HIS  32   5.523   2.926  -0.285
  208   1HB   HIS  32          2HB       HIS  32   5.364   1.976   2.573
  209   2HB   HIS  32          1HB       HIS  32   6.930   2.172   1.804
  210    HD2  HIS  32           2HD      HIS  32   7.468   4.892   0.987
  211    HE1  HIS  32           1HE      HIS  32   4.874   6.399   3.976
  212    HE2  HIS  32           2HE      HIS  32   6.578   7.014   2.198
  213    H    ILE  33           H        ILE  33   7.565   1.204   0.864
  214    HA   ILE  33           HA       ILE  33   6.819  -1.410  -0.250
  215    HB   ILE  33           HB       ILE  33   9.259  -1.843  -0.590
  216   1HG1  ILE  33          2HG1      ILE  33   9.493   1.135  -0.092
  217   1HG2  ILE  33          1HG2      ILE  33   7.981   0.424  -2.103
  218   2HG2  ILE  33          2HG2      ILE  33   9.444  -0.409  -2.632
  219   3HG2  ILE  33          3HG2      ILE  33   7.924  -1.296  -2.492
  220   1HD1  ILE  33          1HD1      ILE  33  10.983  -0.076  -1.906
  221   2HD1  ILE  33          2HD1      ILE  33  11.640   1.136  -0.805
  222   3HD1  ILE  33          3HD1      ILE  33  11.874  -0.579  -0.469
  223    H    HIS  34           H        HIS  34   6.843   0.139   2.468
  224    HA   HIS  34           HA       HIS  34   7.758  -2.126   4.063
  225   1HB   HIS  34          2HB       HIS  34   8.998  -0.469   5.579
  226   2HB   HIS  34          1HB       HIS  34   9.771  -0.923   4.065
  227    HD2  HIS  34           2HD      HIS  34   8.200   2.178   5.791
  228    HE1  HIS  34           1HE      HIS  34   9.945   3.387   2.132
  229    HE2  HIS  34           2HE      HIS  34   9.007   4.182   4.351
  230    H    CYS  35           H        CYS  35   5.125  -0.699   3.524
  231    HA   CYS  35           HA       CYS  35   4.421   0.408   6.100
  232   1HB   CYS  35          2HB       CYS  35   2.392  -0.583   4.125
  233   2HB   CYS  35          1HB       CYS  35   2.288   0.777   5.235
  234    H    LEU  36           H        LEU  36   4.369  -2.636   4.486
  235    HA   LEU  36           HA       LEU  36   2.669  -3.858   6.513
  236   1HB   LEU  36          2HB       LEU  36   3.394  -5.771   4.600
  237   2HB   LEU  36          1HB       LEU  36   1.860  -4.932   4.740
  238    HG   LEU  36           HG       LEU  36   3.507  -3.135   3.385
  239   1HD1  LEU  36          1HD1      LEU  36   3.818  -5.166   1.484
  240   2HD1  LEU  36          2HD1      LEU  36   5.084  -4.274   2.329
  241   3HD1  LEU  36          3HD1      LEU  36   4.485  -5.795   2.991
  242   1HD2  LEU  36          1HD2      LEU  36   1.432  -3.086   2.543
  243   2HD2  LEU  36          2HD2      LEU  36   2.042  -4.300   1.419
  244   3HD2  LEU  36          3HD2      LEU  36   1.153  -4.799   2.858
  245    H    ARG  37           H        ARG  37   3.292  -6.212   7.007
  246    HA   ARG  37           HA       ARG  37   5.826  -6.200   8.321
  247   1HB   ARG  37          2HB       ARG  37   3.691  -7.371   9.090
  248   2HB   ARG  37          1HB       ARG  37   4.073  -8.615   7.909
  249   1HG   ARG  37          2HG       ARG  37   4.808  -9.224  10.156
  250   2HG   ARG  37          1HG       ARG  37   6.165  -9.082   9.038
  251   1HD   ARG  37          2HD       ARG  37   5.532  -6.592  10.422
  252   2HD   ARG  37          1HD       ARG  37   5.988  -7.903  11.512
  253    HE   ARG  37           HE       ARG  37   7.998  -8.125   9.951
  254   1HH1  ARG  37          2HH1      ARG  37   6.389  -5.091  10.661
  255   2HH1  ARG  37          1HH1      ARG  37   7.793  -4.124  10.323
  256   1HH2  ARG  37          2HH2      ARG  37   9.844  -6.866   9.548
  257   2HH2  ARG  37          1HH2      ARG  37   9.766  -5.136   9.702
  258    HA   PRO  38           HA       PRO  38   7.184  -9.290   4.903
  259   1HB   PRO  38          2HB       PRO  38   5.166  -9.408   2.830
  260   2HB   PRO  38          1HB       PRO  38   5.788 -10.721   3.830
  261   1HG   PRO  38          2HG       PRO  38   3.240  -9.776   4.017
  262   2HG   PRO  38          1HG       PRO  38   4.112 -10.509   5.376
  263   1HD   PRO  38          2HD       PRO  38   3.691  -7.606   4.742
  264   2HD   PRO  38          1HD       PRO  38   3.570  -8.447   6.304
  265    H    ALA  39           H        ALA  39   7.764  -6.755   5.001
  266    HA   ALA  39           HA       ALA  39   7.176  -5.259   2.638
  267   1HB   ALA  39          1HB       ALA  39   7.481  -4.118   4.734
  268   2HB   ALA  39          2HB       ALA  39   9.113  -4.767   4.893
  269   3HB   ALA  39          3HB       ALA  39   8.746  -3.610   3.612
  270    H    LEU  40           H        LEU  40   9.189  -4.083   1.640
  271    HA   LEU  40           HA       LEU  40  11.277  -6.049   1.006
  272   1HB   LEU  40          2HB       LEU  40  10.303  -4.279  -1.183
  273   2HB   LEU  40          1HB       LEU  40  11.023  -5.875  -1.278
  274    HG   LEU  40           HG       LEU  40   8.468  -6.064   0.017
  275   1HD1  LEU  40          1HD1      LEU  40   7.164  -5.457  -2.101
  276   2HD1  LEU  40          2HD1      LEU  40   7.673  -4.141  -1.041
  277   3HD1  LEU  40          3HD1      LEU  40   8.566  -4.476  -2.522
  278   1HD2  LEU  40          1HD2      LEU  40   8.069  -7.719  -1.642
  279   2HD2  LEU  40          2HD2      LEU  40   9.294  -7.036  -2.710
  280   3HD2  LEU  40          3HD2      LEU  40   9.777  -7.824  -1.208
  281    H    TYR  41           H        TYR  41  13.118  -4.904  -0.198
  282    HA   TYR  41           HA       TYR  41  13.537  -2.277   1.070
  283   1HB   TYR  41          2HB       TYR  41  15.548  -4.302   0.054
  284   2HB   TYR  41          1HB       TYR  41  15.966  -2.714   0.695
  285    HD1  TYR  41           1HD      TYR  41  16.662  -5.650   1.664
  286    HD2  TYR  41           2HD      TYR  41  13.898  -2.677   2.937
  287    HE1  TYR  41           1HE      TYR  41  16.692  -6.597   3.933
  288    HE2  TYR  41           2HE      TYR  41  13.936  -3.605   5.210
  289    HH   TYR  41           HH       TYR  41  15.143  -4.970   6.617
  290    H    GLU  42           H        GLU  42  12.963  -3.859  -1.829
  291    HA   GLU  42           HA       GLU  42  13.649  -1.434  -3.346
  292   1HB   GLU  42          2HB       GLU  42  13.855  -4.332  -4.144
  293   2HB   GLU  42          1HB       GLU  42  13.705  -3.065  -5.350
  294   1HG   GLU  42          2HG       GLU  42  15.761  -2.073  -4.671
  295   2HG   GLU  42          1HG       GLU  42  15.873  -3.148  -3.276
  296    H    VAL  43           H        VAL  43  12.210  -1.327  -5.385
  297    HA   VAL  43           HA       VAL  43   9.479  -2.008  -4.543
  298    HB   VAL  43           HB       VAL  43   9.809   0.372  -4.938
  299   1HG1  VAL  43          1HG1      VAL  43  10.057   0.497  -7.764
  300   2HG1  VAL  43          2HG1      VAL  43  11.134   1.146  -6.527
  301   3HG1  VAL  43          3HG1      VAL  43  11.374  -0.493  -7.132
  302   1HG2  VAL  43          1HG2      VAL  43   8.158   0.419  -7.089
  303   2HG2  VAL  43          2HG2      VAL  43   7.953  -1.243  -6.532
  304   3HG2  VAL  43          3HG2      VAL  43   7.642   0.099  -5.432
  305    HA   PRO  44           HA       PRO  44   9.649  -5.299  -7.498
  306   1HB   PRO  44          2HB       PRO  44   6.934  -5.801  -7.533
  307   2HB   PRO  44          1HB       PRO  44   8.053  -6.426  -6.319
  308   1HG   PRO  44          2HG       PRO  44   6.231  -4.062  -6.179
  309   2HG   PRO  44          1HG       PRO  44   6.605  -5.267  -4.931
  310   1HD   PRO  44          2HD       PRO  44   7.712  -2.821  -4.903
  311   2HD   PRO  44          1HD       PRO  44   8.621  -4.257  -4.388
  312    H    ASP  45           H        ASP  45   9.038  -5.743  -9.639
  313    HA   ASP  45           HA       ASP  45   7.930  -3.418 -11.070
  314   1HB   ASP  45          2HB       ASP  45  10.227  -3.754 -11.676
  315   2HB   ASP  45          1HB       ASP  45   9.976  -5.483 -11.889
  316    H    GLY  46           H        GLY  46   5.923  -3.750 -11.756
  317   1HA   GLY  46          1HA       GLY  46   4.517  -4.911 -13.351
  318   2HA   GLY  46          2HA       GLY  46   5.258  -6.417 -12.831
  319    H    GLU  47           H        GLU  47   4.104  -7.625 -11.509
  320    HA   GLU  47           HA       GLU  47   1.663  -6.568 -10.369
  321   1HB   GLU  47          2HB       GLU  47   2.869  -9.292 -10.683
  322   2HB   GLU  47          1HB       GLU  47   1.560  -9.050  -9.533
  323   1HG   GLU  47          2HG       GLU  47   0.703  -7.810 -11.870
  324   2HG   GLU  47          1HG       GLU  47   1.474  -9.308 -12.396
  325    H    TRP  48           H        TRP  48   1.084  -6.644  -8.201
  326    HA   TRP  48           HA       TRP  48   2.927  -7.500  -6.192
  327   1HB   TRP  48          2HB       TRP  48   3.896  -5.288  -6.599
  328   2HB   TRP  48          1HB       TRP  48   2.314  -4.538  -6.402
  329    HD1  TRP  48           HD       TRP  48   4.688  -6.743  -4.246
  330    HE1  TRP  48           1HE      TRP  48   4.546  -5.921  -1.806
  331    HE3  TRP  48           3HE      TRP  48   1.176  -3.051  -4.826
  332    HZ2  TRP  48           2HZ      TRP  48   3.135  -3.980  -0.336
  333    HZ3  TRP  48           3HZ      TRP  48   0.487  -1.773  -2.845
  334    HH2  TRP  48           HH       TRP  48   1.447  -2.224  -0.647
  335    H    GLN  49           H        GLN  49   1.453  -8.701  -5.169
  336    HA   GLN  49           HA       GLN  49  -1.224  -7.681  -4.666
  337   1HB   GLN  49          2HB       GLN  49  -0.216 -10.213  -5.086
  338   2HB   GLN  49          1HB       GLN  49  -0.426 -10.179  -3.342
  339   1HG   GLN  49          2HG       GLN  49  -2.607  -9.432  -5.268
  340   2HG   GLN  49          1HG       GLN  49  -2.360 -11.073  -4.669
  341   1HE2  GLN  49          1HE2      GLN  49  -4.307  -8.607  -4.276
  342   2HE2  GLN  49          2HE2      GLN  49  -4.619  -8.674  -2.577
  343    H    CYS  50           H        CYS  50  -1.423  -6.280  -3.051
  344    HA   CYS  50           HA       CYS  50   0.510  -5.811  -1.119
  345   1HB   CYS  50          2HB       CYS  50  -1.737  -4.687  -0.054
  346   2HB   CYS  50          1HB       CYS  50  -0.757  -3.952  -1.321
  347    HA   PRO  51           HA       PRO  51  -0.629  -9.161   1.672
  348   1HB   PRO  51          2HB       PRO  51   1.593  -9.036   3.196
  349   2HB   PRO  51          1HB       PRO  51   1.587  -9.780   1.593
  350   1HG   PRO  51          2HG       PRO  51   2.552  -7.079   2.428
  351   2HG   PRO  51          1HG       PRO  51   3.263  -8.213   1.267
  352   1HD   PRO  51          2HD       PRO  51   1.753  -6.028   0.569
  353   2HD   PRO  51          1HD       PRO  51   1.940  -7.476  -0.439
  354    H    ARG  52           H        ARG  52  -1.997  -6.882   2.050
  355    HA   ARG  52           HA       ARG  52  -1.979  -6.605   4.954
  356   1HB   ARG  52          2HB       ARG  52  -1.234  -4.523   3.082
  357   2HB   ARG  52          1HB       ARG  52  -2.678  -4.066   3.974
  358   1HG   ARG  52          2HG       ARG  52  -0.273  -5.119   5.400
  359   2HG   ARG  52          1HG       ARG  52  -0.380  -3.424   4.916
  360   1HD   ARG  52          2HD       ARG  52  -1.541  -3.045   6.763
  361   2HD   ARG  52          1HD       ARG  52  -2.841  -4.017   6.084
  362    HE   ARG  52           HE       ARG  52  -0.724  -5.054   7.866
  363   1HH1  ARG  52          2HH1      ARG  52  -3.999  -5.083   6.639
  364   2HH1  ARG  52          1HH1      ARG  52  -4.501  -6.416   7.639
  365   1HH2  ARG  52          2HH2      ARG  52  -1.390  -6.800   9.216
  366   2HH2  ARG  52          1HH2      ARG  52  -3.023  -7.391   9.083
  367    H    CYS  53           H        CYS  53  -3.580  -5.328   2.055
  368    HA   CYS  53           HA       CYS  53  -6.210  -5.737   3.187
  369   1HB   CYS  53          2HB       CYS  53  -6.262  -5.021   0.438
  370   2HB   CYS  53          1HB       CYS  53  -6.614  -3.999   1.830
  371    H    THR  54           H        THR  54  -4.872  -8.119   3.009
  372    HA   THR  54           HA       THR  54  -5.312  -9.464   0.540
  373    HB   THR  54           HB       THR  54  -4.947 -11.372   2.582
  374    HG1  THR  54           1HG      THR  54  -2.849 -10.130   3.322
  375   1HG2  THR  54          1HG2      THR  54  -3.826 -11.753   0.597
  376   2HG2  THR  54          2HG2      THR  54  -2.513 -11.197   1.636
  377   3HG2  THR  54          3HG2      THR  54  -3.252 -10.088   0.480
  378    H    CYS  55           H        CYS  55  -7.645  -8.940   0.404
  379    HA   CYS  55           HA       CYS  55  -9.299 -10.789   1.989
  380   1HB   CYS  55          2HB       CYS  55 -10.780  -8.939   0.304
  381   2HB   CYS  55          1HB       CYS  55 -10.909  -9.216   2.038
  382    HG   CYS  55           HG       CYS  55  -8.962  -6.955   0.393
  383    HA   PRO  56           HA       PRO  56  -8.920 -13.204  -1.799
  384   1HB   PRO  56          2HB       PRO  56 -10.774 -14.943  -0.258
  385   2HB   PRO  56          1HB       PRO  56  -9.255 -15.350  -1.066
  386   1HG   PRO  56          2HG       PRO  56  -9.372 -15.156   1.586
  387   2HG   PRO  56          1HG       PRO  56  -7.957 -14.572   0.689
  388   1HD   PRO  56          2HD       PRO  56 -10.202 -13.023   1.911
  389   2HD   PRO  56          1HD       PRO  56  -8.473 -12.630   1.828
  390    H    ALA  57           H        ALA  57 -10.079 -13.062  -3.575
  391    HA   ALA  57           HA       ALA  57 -11.767 -12.688  -5.037
  392   1HB   ALA  57          1HB       ALA  57 -13.013 -14.352  -2.943
  393   2HB   ALA  57          2HB       ALA  57 -14.113 -13.514  -4.038
  394   3HB   ALA  57          3HB       ALA  57 -12.893 -14.611  -4.684
  395    H    LEU  58           H        LEU  58 -11.085 -10.414  -3.954
  396    HA   LEU  58           HA       LEU  58 -13.226  -9.052  -2.609
  397   1HB   LEU  58          2HB       LEU  58 -10.787  -8.431  -2.473
  398   2HB   LEU  58          1HB       LEU  58 -10.918  -7.819  -4.112
  399    HG   LEU  58           HG       LEU  58 -12.954  -6.475  -2.945
  400   1HD1  LEU  58          1HD1      LEU  58 -11.597  -5.618  -0.805
  401   2HD1  LEU  58          2HD1      LEU  58 -12.821  -6.884  -0.730
  402   3HD1  LEU  58          3HD1      LEU  58 -11.113  -7.315  -0.797
  403   1HD2  LEU  58          1HD2      LEU  58 -11.158  -5.533  -4.318
  404   2HD2  LEU  58          2HD2      LEU  58 -11.457  -4.563  -2.875
  405   3HD2  LEU  58          3HD2      LEU  58 -10.060  -5.635  -2.943
  406    H    LYS  59           H        LYS  59 -12.326  -9.674  -5.874
  407    HA   LYS  59           HA       LYS  59 -13.288  -9.279  -7.872
  408   1HB   LYS  59          2HB       LYS  59 -15.568  -9.067  -5.987
  409   2HB   LYS  59          1HB       LYS  59 -15.822  -8.435  -7.608
  410   1HG   LYS  59          2HG       LYS  59 -14.978 -10.672  -8.456
  411   2HG   LYS  59          1HG       LYS  59 -15.135 -11.240  -6.793
  412   1HD   LYS  59          2HD       LYS  59 -17.531 -10.471  -6.872
  413   2HD   LYS  59          1HD       LYS  59 -17.309 -10.204  -8.602
  414   1HE   LYS  59          2HE       LYS  59 -18.077 -12.326  -8.714
  415   2HE   LYS  59          1HE       LYS  59 -16.378 -12.703  -8.432
  416   1HZ   LYS  59          1HZ       LYS  59 -17.246 -13.951  -6.788
  417   2HZ   LYS  59          2HZ       LYS  59 -18.668 -13.032  -6.669
  418   3HZ   LYS  59          3HZ       LYS  59 -17.241 -12.489  -5.927
  419    H    GLY  60           H        GLY  60 -11.638  -7.396  -7.333
  420   1HA   GLY  60          1HA       GLY  60 -13.056  -4.852  -7.852
  421   2HA   GLY  60          2HA       GLY  60 -11.504  -4.957  -7.032
  422    H    LYS  61           H        LYS  61 -12.044  -7.065  -9.674
  423    HA   LYS  61           HA       LYS  61 -10.651  -5.279 -11.525
  424   1HB   LYS  61          2HB       LYS  61  -9.691  -7.886 -10.479
  425   2HB   LYS  61          1HB       LYS  61  -9.509  -7.629 -12.209
  426   1HG   LYS  61          2HG       LYS  61  -8.620  -5.277 -10.930
  427   2HG   LYS  61          1HG       LYS  61  -7.908  -6.644 -10.069
  428   1HD   LYS  61          2HD       LYS  61  -7.146  -7.549 -12.253
  429   2HD   LYS  61          1HD       LYS  61  -7.746  -6.081 -13.029
  430   1HE   LYS  61          2HE       LYS  61  -6.169  -5.185 -10.914
  431   2HE   LYS  61          1HE       LYS  61  -5.271  -6.536 -11.606
  432   1HZ   LYS  61          1HZ       LYS  61  -5.915  -5.309 -13.827
  433   2HZ   LYS  61          2HZ       LYS  61  -4.542  -4.864 -12.936
  434   3HZ   LYS  61          3HZ       LYS  61  -5.969  -3.958 -12.799
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -25.554   3.837  -2.483
    2   2H    GLY   1          2H        GLY   1 -24.517   2.756  -3.276
    3   3H    GLY   1          3H        GLY   1 -24.672   4.351  -3.837
    4   1HA   GLY   1          2HA       GLY   1 -23.801   3.955  -1.077
    5   2HA   GLY   1          1HA       GLY   1 -22.651   3.605  -2.359
    6    HA   PRO   2           HA       PRO   2 -22.052   8.045  -1.810
    7   1HB   PRO   2          2HB       PRO   2 -19.536   8.136  -2.718
    8   2HB   PRO   2          1HB       PRO   2 -19.917   7.486  -1.119
    9   1HG   PRO   2          2HG       PRO   2 -19.336   6.030  -3.668
   10   2HG   PRO   2          1HG       PRO   2 -18.787   5.669  -2.021
   11   1HD   PRO   2          2HD       PRO   2 -20.894   4.406  -3.259
   12   2HD   PRO   2          1HD       PRO   2 -20.707   4.546  -1.501
   13    H    LEU   3           H        LEU   3 -21.211   9.773  -3.334
   14    HA   LEU   3           HA       LEU   3 -22.451   9.434  -5.927
   15   1HB   LEU   3          2HB       LEU   3 -21.726  11.619  -4.224
   16   2HB   LEU   3          1HB       LEU   3 -20.982  11.859  -5.794
   17    HG   LEU   3           HG       LEU   3 -23.928  11.345  -5.389
   18   1HD1  LEU   3          1HD1      LEU   3 -23.100  13.473  -4.359
   19   2HD1  LEU   3          2HD1      LEU   3 -22.590  13.977  -5.970
   20   3HD1  LEU   3          3HD1      LEU   3 -24.296  13.679  -5.638
   21   1HD2  LEU   3          1HD2      LEU   3 -24.139  12.058  -7.687
   22   2HD2  LEU   3          2HD2      LEU   3 -22.404  12.365  -7.780
   23   3HD2  LEU   3          3HD2      LEU   3 -22.999  10.715  -7.587
   24    H    GLY   4           H        GLY   4 -21.124   7.829  -6.837
   25   1HA   GLY   4          1HA       GLY   4 -19.459   7.264  -8.364
   26   2HA   GLY   4          2HA       GLY   4 -18.713   8.835  -8.097
   27    H    SER   5           H        SER   5 -17.096   9.042  -6.639
   28    HA   SER   5           HA       SER   5 -16.421   6.654  -5.052
   29   1HB   SER   5          2HB       SER   5 -14.581   8.463  -6.621
   30   2HB   SER   5          1HB       SER   5 -14.005   7.339  -5.388
   31    HG   SER   5           HG       SER   5 -15.308   6.764  -7.840
   32    H    ASP   6           H        ASP   6 -15.930   6.973  -2.965
   33    HA   ASP   6           HA       ASP   6 -15.654   9.757  -2.035
   34   1HB   ASP   6          2HB       ASP   6 -17.885   8.855  -1.447
   35   2HB   ASP   6          1HB       ASP   6 -17.110   7.524  -0.596
   36    H    HIS   7           H        HIS   7 -13.904  10.140  -0.861
   37    HA   HIS   7           HA       HIS   7 -11.918   9.863   0.186
   38   1HB   HIS   7          2HB       HIS   7 -13.620   8.848   1.874
   39   2HB   HIS   7          1HB       HIS   7 -12.915   7.307   1.404
   40    HD2  HIS   7           2HD      HIS   7  -9.866   9.063   1.248
   41    HE1  HIS   7           1HE      HIS   7 -10.448   8.733   5.422
   42    HE2  HIS   7           2HE      HIS   7  -8.851   9.482   3.600
   43    H    HIS   8           H        HIS   8 -10.743   9.490  -1.690
   44    HA   HIS   8           HA       HIS   8 -10.229   6.744  -2.507
   45   1HB   HIS   8          2HB       HIS   8 -10.332   8.903  -4.019
   46   2HB   HIS   8          1HB       HIS   8  -8.652   9.077  -3.517
   47    HD2  HIS   8           2HD      HIS   8  -8.581   8.587  -6.490
   48    HE1  HIS   8           1HE      HIS   8  -8.494   4.422  -5.753
   49    HE2  HIS   8           2HE      HIS   8  -8.297   6.226  -7.525
   50    H    MET   9           H        MET   9  -8.417   5.620  -2.032
   51    HA   MET   9           HA       MET   9  -6.780   6.730   0.106
   52   1HB   MET   9          2HB       MET   9  -7.944   4.284  -0.175
   53   2HB   MET   9          1HB       MET   9  -6.308   3.943  -0.722
   54   1HG   MET   9          2HG       MET   9  -5.626   3.824   1.375
   55   2HG   MET   9          1HG       MET   9  -6.120   5.496   1.631
   56   1HE   MET   9          1HE       MET   9  -9.085   5.499   1.204
   57   2HE   MET   9          2HE       MET   9  -9.906   4.953   2.666
   58   3HE   MET   9          3HE       MET   9  -8.620   6.155   2.775
   59    H    GLU  10           H        GLU  10  -5.912   8.121  -1.783
   60    HA   GLU  10           HA       GLU  10  -3.772   6.829  -3.282
   61   1HB   GLU  10          2HB       GLU  10  -4.014   9.798  -3.145
   62   2HB   GLU  10          1HB       GLU  10  -3.578   8.770  -4.500
   63   1HG   GLU  10          2HG       GLU  10  -5.926   8.084  -4.713
   64   2HG   GLU  10          1HG       GLU  10  -6.346   9.180  -3.399
   65    H    PHE  11           H        PHE  11  -3.570   6.519  -0.563
   66    HA   PHE  11           HA       PHE  11  -0.988   7.653  -0.036
   67   1HB   PHE  11          2HB       PHE  11  -1.568   8.720   2.079
   68   2HB   PHE  11          1HB       PHE  11  -2.505   9.448   0.780
   69    HD1  PHE  11           1HD      PHE  11  -2.626   7.898   3.976
   70    HD2  PHE  11           2HD      PHE  11  -4.908   8.594   0.453
   71    HE1  PHE  11           1HE      PHE  11  -4.694   7.448   5.232
   72    HE2  PHE  11           2HE      PHE  11  -6.977   8.151   1.703
   73    HZ   PHE  11           HZ       PHE  11  -6.874   7.576   4.096
   74    H    CYS  12           H        CYS  12  -0.109   6.749   2.045
   75    HA   CYS  12           HA       CYS  12  -0.424   3.960   2.053
   76   1HB   CYS  12          2HB       CYS  12   0.923   5.868   3.945
   77   2HB   CYS  12          1HB       CYS  12   0.926   4.130   4.225
   78    HG   CYS  12           HG       CYS  12   3.191   5.649   2.765
   79    H    ARG  13           H        ARG  13  -1.501   2.553   3.351
   80    HA   ARG  13           HA       ARG  13  -3.765   3.542   4.789
   81   1HB   ARG  13          2HB       ARG  13  -2.782   0.966   3.875
   82   2HB   ARG  13          1HB       ARG  13  -3.465   0.864   5.493
   83   1HG   ARG  13          2HG       ARG  13  -5.488   2.073   4.565
   84   2HG   ARG  13          1HG       ARG  13  -4.804   1.781   2.968
   85   1HD   ARG  13          2HD       ARG  13  -4.670  -0.695   4.157
   86   2HD   ARG  13          1HD       ARG  13  -6.193  -0.040   4.764
   87    HE   ARG  13           HE       ARG  13  -5.558  -0.787   2.039
   88   1HH1  ARG  13          2HH1      ARG  13  -7.794   0.851   4.199
   89   2HH1  ARG  13          1HH1      ARG  13  -9.008   1.061   2.971
   90   1HH2  ARG  13          2HH2      ARG  13  -7.163  -0.488   0.435
   91   2HH2  ARG  13          1HH2      ARG  13  -8.666   0.284   0.856
   92    H    VAL  14           H        VAL  14  -0.531   2.667   5.674
   93    HA   VAL  14           HA       VAL  14  -1.235   2.660   8.530
   94    HB   VAL  14           HB       VAL  14   1.547   2.091   7.663
   95   1HG1  VAL  14          1HG1      VAL  14   1.323   1.858   9.928
   96   2HG1  VAL  14          2HG1      VAL  14  -0.324   1.238   9.815
   97   3HG1  VAL  14          3HG1      VAL  14   1.037   0.199   9.397
   98   1HG2  VAL  14          1HG2      VAL  14  -0.552  -0.049   7.372
   99   2HG2  VAL  14          2HG2      VAL  14   0.037   0.905   6.010
  100   3HG2  VAL  14          3HG2      VAL  14   1.151  -0.117   6.917
  101    H    CYS  15           H        CYS  15   1.565   3.691   6.652
  102    HA   CYS  15           HA       CYS  15   2.206   5.846   8.389
  103   1HB   CYS  15          2HB       CYS  15   3.763   5.993   6.081
  104   2HB   CYS  15          1HB       CYS  15   4.166   5.172   7.591
  105    H    LYS  16           H        LYS  16  -0.115   5.698   6.140
  106    HA   LYS  16           HA       LYS  16  -1.351   7.218   4.945
  107   1HB   LYS  16          2HB       LYS  16  -0.645   8.516   7.554
  108   2HB   LYS  16          1HB       LYS  16  -1.746   9.290   6.423
  109   1HG   LYS  16          2HG       LYS  16  -3.430   7.907   6.927
  110   2HG   LYS  16          1HG       LYS  16  -2.379   6.489   6.977
  111   1HD   LYS  16          2HD       LYS  16  -1.512   7.599   9.187
  112   2HD   LYS  16          1HD       LYS  16  -3.073   8.422   9.141
  113   1HE   LYS  16          2HE       LYS  16  -3.572   5.710   8.581
  114   2HE   LYS  16          1HE       LYS  16  -2.457   5.743   9.948
  115   1HZ   LYS  16          1HZ       LYS  16  -5.207   6.723   9.760
  116   2HZ   LYS  16          2HZ       LYS  16  -4.136   7.581  10.761
  117   3HZ   LYS  16          3HZ       LYS  16  -4.425   5.933  11.041
  118    H    ASP  17           H        ASP  17   1.556   7.428   4.288
  119    HA   ASP  17           HA       ASP  17   1.844  10.273   3.753
  120   1HB   ASP  17          2HB       ASP  17   4.091   9.650   2.936
  121   2HB   ASP  17          1HB       ASP  17   3.806   9.082   4.578
  122    H    GLY  18           H        GLY  18   2.447  11.006   1.601
  123   1HA   GLY  18          1HA       GLY  18   1.190   9.368  -0.511
  124   2HA   GLY  18          2HA       GLY  18   0.929  11.105  -0.380
  125    H    GLY  19           H        GLY  19   3.981   9.440   0.138
  126   1HA   GLY  19          1HA       GLY  19   5.238  11.130  -1.861
  127   2HA   GLY  19          2HA       GLY  19   6.053  10.012  -0.772
  128    H    GLU  20           H        GLU  20   6.895   8.282  -1.681
  129    HA   GLU  20           HA       GLU  20   6.351   7.556  -4.405
  130   1HB   GLU  20          2HB       GLU  20   8.212   6.740  -2.278
  131   2HB   GLU  20          1HB       GLU  20   7.699   5.421  -3.322
  132   1HG   GLU  20          2HG       GLU  20   9.823   6.694  -3.940
  133   2HG   GLU  20          1HG       GLU  20   8.644   6.381  -5.210
  134    H    LEU  21           H        LEU  21   4.395   6.735  -4.825
  135    HA   LEU  21           HA       LEU  21   3.169   5.002  -2.816
  136   1HB   LEU  21          2HB       LEU  21   2.212   7.030  -4.682
  137   2HB   LEU  21          1HB       LEU  21   1.216   5.590  -4.660
  138    HG   LEU  21           HG       LEU  21   0.246   6.198  -2.752
  139   1HD1  LEU  21          1HD1      LEU  21   1.376   5.785  -0.894
  140   2HD1  LEU  21          2HD1      LEU  21   2.879   5.821  -1.815
  141   3HD1  LEU  21          3HD1      LEU  21   2.265   7.298  -1.073
  142   1HD2  LEU  21          1HD2      LEU  21   0.638   8.564  -1.983
  143   2HD2  LEU  21          2HD2      LEU  21   1.861   8.678  -3.248
  144   3HD2  LEU  21          3HD2      LEU  21   0.179   8.363  -3.674
  145    H    LEU  22           H        LEU  22   3.574   2.966  -3.136
  146    HA   LEU  22           HA       LEU  22   3.241   1.804  -5.819
  147   1HB   LEU  22          2HB       LEU  22   5.311   1.099  -4.948
  148   2HB   LEU  22          1HB       LEU  22   4.667   0.912  -3.330
  149    HG   LEU  22           HG       LEU  22   3.260  -1.015  -4.426
  150   1HD1  LEU  22          1HD1      LEU  22   5.602  -0.761  -6.306
  151   2HD1  LEU  22          2HD1      LEU  22   4.531  -2.157  -6.198
  152   3HD1  LEU  22          3HD1      LEU  22   3.895  -0.596  -6.719
  153   1HD2  LEU  22          1HD2      LEU  22   4.619  -1.774  -2.785
  154   2HD2  LEU  22          2HD2      LEU  22   5.512  -2.423  -4.160
  155   3HD2  LEU  22          3HD2      LEU  22   6.031  -0.918  -3.404
  156    H    CYS  23           H        CYS  23   1.263   1.075  -6.197
  157    HA   CYS  23           HA       CYS  23  -0.457   0.493  -3.892
  158   1HB   CYS  23          2HB       CYS  23  -1.539   1.052  -6.614
  159   2HB   CYS  23          1HB       CYS  23  -2.189   1.494  -5.040
  160    HG   CYS  23           HG       CYS  23  -1.329   3.906  -5.057
  161    H    CYS  24           H        CYS  24  -1.960  -1.221  -3.911
  162    HA   CYS  24           HA       CYS  24  -1.172  -3.563  -5.377
  163   1HB   CYS  24          2HB       CYS  24  -3.725  -3.921  -4.196
  164   2HB   CYS  24          1HB       CYS  24  -2.175  -4.521  -3.621
  165    H    ASP  25           H        ASP  25  -2.894  -4.835  -6.576
  166    HA   ASP  25           HA       ASP  25  -4.209  -3.035  -8.470
  167   1HB   ASP  25          2HB       ASP  25  -2.697  -5.206  -8.963
  168   2HB   ASP  25          1HB       ASP  25  -4.281  -5.969  -8.902
  169    H    THR  26           H        THR  26  -4.904  -5.263  -5.947
  170    HA   THR  26           HA       THR  26  -7.617  -5.771  -6.733
  171    HB   THR  26           HB       THR  26  -7.722  -6.733  -4.349
  172    HG1  THR  26           1HG      THR  26  -5.938  -5.637  -3.468
  173   1HG2  THR  26          1HG2      THR  26  -5.958  -8.574  -5.123
  174   2HG2  THR  26          2HG2      THR  26  -6.093  -7.691  -6.646
  175   3HG2  THR  26          3HG2      THR  26  -7.528  -8.400  -5.905
  176    H    CYS  27           H        CYS  27  -5.961  -3.651  -4.476
  177    HA   CYS  27           HA       CYS  27  -8.555  -2.469  -3.754
  178   1HB   CYS  27          2HB       CYS  27  -6.463  -1.863  -1.869
  179   2HB   CYS  27          1HB       CYS  27  -7.978  -2.724  -1.604
  180    HA   PRO  28           HA       PRO  28  -6.956   1.347  -5.336
  181   1HB   PRO  28          2HB       PRO  28  -8.738   3.065  -4.310
  182   2HB   PRO  28          1HB       PRO  28  -9.215   1.855  -5.507
  183   1HG   PRO  28          2HG       PRO  28  -9.572   1.829  -2.541
  184   2HG   PRO  28          1HG       PRO  28 -10.704   1.325  -3.806
  185   1HD   PRO  28          2HD       PRO  28  -9.116  -0.397  -2.350
  186   2HD   PRO  28          1HD       PRO  28  -9.789  -0.762  -3.952
  187    H    SER  29           H        SER  29  -5.651   0.364  -2.891
  188    HA   SER  29           HA       SER  29  -5.212   2.864  -1.415
  189   1HB   SER  29          2HB       SER  29  -3.813   0.662  -0.251
  190   2HB   SER  29          1HB       SER  29  -5.185   1.555   0.407
  191    HG   SER  29           HG       SER  29  -5.207  -0.920  -0.270
  192    H    SER  30           H        SER  30  -2.927   3.272  -0.745
  193    HA   SER  30           HA       SER  30  -0.975   2.259  -2.684
  194   1HB   SER  30          2HB       SER  30  -0.897   5.139  -1.857
  195   2HB   SER  30          1HB       SER  30  -0.237   4.375  -3.303
  196    HG   SER  30           HG       SER  30  -3.020   4.468  -2.846
  197    H    TYR  31           H        TYR  31   1.210   2.281  -1.949
  198    HA   TYR  31           HA       TYR  31   1.568   2.748   0.936
  199   1HB   TYR  31          2HB       TYR  31   2.059   0.191  -0.599
  200   2HB   TYR  31          1HB       TYR  31   2.798   0.507   0.962
  201    HD1  TYR  31           1HD      TYR  31   1.472   0.439   3.005
  202    HD2  TYR  31           2HD      TYR  31  -0.321  -0.254  -0.792
  203    HE1  TYR  31           1HE      TYR  31  -0.506  -0.503   4.117
  204    HE2  TYR  31           2HE      TYR  31  -2.312  -1.184   0.314
  205    HH   TYR  31           HH       TYR  31  -3.251  -1.775   2.245
  206    H    HIS  32           H        HIS  32   3.941   1.913   1.400
  207    HA   HIS  32           HA       HIS  32   5.894   3.346  -0.265
  208   1HB   HIS  32          2HB       HIS  32   5.924   1.967   2.426
  209   2HB   HIS  32          1HB       HIS  32   7.425   2.148   1.550
  210    HD2  HIS  32           2HD      HIS  32   8.609   4.601   1.686
  211    HE1  HIS  32           1HE      HIS  32   5.798   6.174   4.442
  212    HE2  HIS  32           2HE      HIS  32   8.152   6.414   3.492
  213    H    ILE  33           H        ILE  33   7.835   1.227   0.590
  214    HA   ILE  33           HA       ILE  33   6.801  -1.108  -0.847
  215    HB   ILE  33           HB       ILE  33   9.147  -1.736  -1.379
  216   1HG1  ILE  33          2HG1      ILE  33  10.003   1.084  -0.859
  217   1HG2  ILE  33          1HG2      ILE  33   7.899  -0.762  -3.136
  218   2HG2  ILE  33          2HG2      ILE  33   8.070   0.855  -2.455
  219   3HG2  ILE  33          3HG2      ILE  33   9.471   0.038  -3.152
  220   1HD1  ILE  33          1HD1      ILE  33  11.900  -0.938  -0.161
  221   2HD1  ILE  33          2HD1      ILE  33  11.275  -1.230  -1.785
  222   3HD1  ILE  33          3HD1      ILE  33  12.007   0.325  -1.387
  223    H    HIS  34           H        HIS  34   7.062   0.036   2.075
  224    HA   HIS  34           HA       HIS  34   7.739  -2.509   3.300
  225   1HB   HIS  34          2HB       HIS  34   9.435  -1.408   4.825
  226   2HB   HIS  34          1HB       HIS  34   9.941  -1.634   3.155
  227    HD2  HIS  34           2HD      HIS  34   9.144   1.238   5.658
  228    HE1  HIS  34           1HE      HIS  34  10.711   2.893   2.092
  229    HE2  HIS  34           2HE      HIS  34  10.211   3.332   4.537
  230    H    CYS  35           H        CYS  35   5.379  -0.556   3.265
  231    HA   CYS  35           HA       CYS  35   5.185   0.481   5.919
  232   1HB   CYS  35          2HB       CYS  35   2.743  -0.196   4.355
  233   2HB   CYS  35          1HB       CYS  35   3.103   1.239   5.309
  234    H    LEU  36           H        LEU  36   3.989  -2.386   4.299
  235    HA   LEU  36           HA       LEU  36   2.654  -3.363   6.644
  236   1HB   LEU  36          2HB       LEU  36   2.713  -5.474   4.892
  237   2HB   LEU  36          1HB       LEU  36   1.440  -4.278   5.012
  238    HG   LEU  36           HG       LEU  36   3.417  -3.201   3.291
  239   1HD1  LEU  36          1HD1      LEU  36   4.388  -5.228   2.739
  240   2HD1  LEU  36          2HD1      LEU  36   2.862  -6.105   2.863
  241   3HD1  LEU  36          3HD1      LEU  36   3.154  -5.031   1.495
  242   1HD2  LEU  36          1HD2      LEU  36   1.216  -2.552   2.962
  243   2HD2  LEU  36          2HD2      LEU  36   1.511  -3.649   1.611
  244   3HD2  LEU  36          3HD2      LEU  36   0.617  -4.212   3.023
  245    H    ARG  37           H        ARG  37   3.027  -5.678   7.302
  246    HA   ARG  37           HA       ARG  37   5.482  -5.965   8.505
  247   1HB   ARG  37          2HB       ARG  37   3.423  -7.176   9.149
  248   2HB   ARG  37          1HB       ARG  37   3.606  -8.207   7.737
  249   1HG   ARG  37          2HG       ARG  37   4.408  -9.378   9.657
  250   2HG   ARG  37          1HG       ARG  37   5.785  -8.967   8.632
  251   1HD   ARG  37          2HD       ARG  37   6.115  -6.941  10.100
  252   2HD   ARG  37          1HD       ARG  37   4.922  -7.640  11.194
  253    HE   ARG  37           HE       ARG  37   6.446  -9.574  11.406
  254   1HH1  ARG  37          2HH1      ARG  37   7.743  -6.488  10.325
  255   2HH1  ARG  37          1HH1      ARG  37   9.370  -6.870  10.815
  256   1HH2  ARG  37          2HH2      ARG  37   8.604 -10.059  12.029
  257   2HH2  ARG  37          1HH2      ARG  37   9.854  -8.879  11.766
  258    HA   PRO  38           HA       PRO  38   7.101  -8.863   5.028
  259   1HB   PRO  38          2HB       PRO  38   5.335  -8.614   2.727
  260   2HB   PRO  38          1HB       PRO  38   5.823 -10.071   3.596
  261   1HG   PRO  38          2HG       PRO  38   3.294  -9.097   3.671
  262   2HG   PRO  38          1HG       PRO  38   4.025  -9.984   5.021
  263   1HD   PRO  38          2HD       PRO  38   3.680  -7.028   4.660
  264   2HD   PRO  38          1HD       PRO  38   3.423  -8.024   6.109
  265    H    ALA  39           H        ALA  39   8.068  -6.582   5.371
  266    HA   ALA  39           HA       ALA  39   7.812  -4.618   3.371
  267   1HB   ALA  39          1HB       ALA  39   9.452  -3.438   4.514
  268   2HB   ALA  39          2HB       ALA  39   8.721  -4.429   5.776
  269   3HB   ALA  39          3HB       ALA  39  10.264  -4.904   5.064
  270    H    LEU  40           H        LEU  40   9.011  -4.126   1.599
  271    HA   LEU  40           HA       LEU  40  10.723  -6.264   0.563
  272   1HB   LEU  40          2HB       LEU  40   9.338  -3.925  -0.742
  273   2HB   LEU  40          1HB       LEU  40  10.533  -4.895  -1.578
  274    HG   LEU  40           HG       LEU  40   8.652  -5.936  -2.308
  275   1HD1  LEU  40          1HD1      LEU  40   9.980  -7.589  -1.037
  276   2HD1  LEU  40          2HD1      LEU  40   8.939  -7.305   0.359
  277   3HD1  LEU  40          3HD1      LEU  40   8.264  -7.992  -1.119
  278   1HD2  LEU  40          1HD2      LEU  40   7.390  -5.176   0.312
  279   2HD2  LEU  40          2HD2      LEU  40   7.018  -4.556  -1.298
  280   3HD2  LEU  40          3HD2      LEU  40   6.602  -6.217  -0.874
  281    H    TYR  41           H        TYR  41  12.735  -5.726  -0.453
  282    HA   TYR  41           HA       TYR  41  13.974  -3.305   0.689
  283   1HB   TYR  41          2HB       TYR  41  15.251  -5.943  -0.069
  284   2HB   TYR  41          1HB       TYR  41  16.139  -4.520   0.476
  285    HD1  TYR  41           1HD      TYR  41  14.195  -7.396   1.489
  286    HD2  TYR  41           2HD      TYR  41  15.776  -3.673   2.810
  287    HE1  TYR  41           1HE      TYR  41  13.842  -8.079   3.825
  288    HE2  TYR  41           2HE      TYR  41  15.425  -4.348   5.148
  289    HH   TYR  41           HH       TYR  41  13.604  -6.190   6.270
  290    H    GLU  42           H        GLU  42  12.467  -3.982  -1.857
  291    HA   GLU  42           HA       GLU  42  14.094  -2.357  -3.588
  292   1HB   GLU  42          2HB       GLU  42  14.011  -5.212  -3.940
  293   2HB   GLU  42          1HB       GLU  42  13.182  -4.442  -5.285
  294   1HG   GLU  42          2HG       GLU  42  16.038  -4.266  -4.468
  295   2HG   GLU  42          1HG       GLU  42  15.337  -4.562  -6.058
  296    H    VAL  43           H        VAL  43  12.803  -1.773  -5.579
  297    HA   VAL  43           HA       VAL  43   9.997  -1.464  -4.789
  298    HB   VAL  43           HB       VAL  43  11.447  -0.108  -7.069
  299   1HG1  VAL  43          1HG1      VAL  43   9.147   1.207  -5.840
  300   2HG1  VAL  43          2HG1      VAL  43   9.540   0.964  -7.541
  301   3HG1  VAL  43          3HG1      VAL  43   8.755  -0.322  -6.626
  302   1HG2  VAL  43          1HG2      VAL  43  11.773   0.299  -4.296
  303   2HG2  VAL  43          2HG2      VAL  43  12.406   1.274  -5.622
  304   3HG2  VAL  43          3HG2      VAL  43  10.837   1.660  -4.914
  305    HA   PRO  44           HA       PRO  44   9.205  -4.790  -7.716
  306   1HB   PRO  44          2HB       PRO  44   6.446  -4.566  -6.754
  307   2HB   PRO  44          1HB       PRO  44   7.566  -5.925  -6.626
  308   1HG   PRO  44          2HG       PRO  44   6.835  -4.472  -4.478
  309   2HG   PRO  44          1HG       PRO  44   8.450  -5.186  -4.632
  310   1HD   PRO  44          2HD       PRO  44   7.575  -2.358  -5.122
  311   2HD   PRO  44          1HD       PRO  44   9.028  -2.961  -4.291
  312    H    ASP  45           H        ASP  45   9.417  -3.554  -9.603
  313    HA   ASP  45           HA       ASP  45   7.213  -1.834 -10.414
  314   1HB   ASP  45          2HB       ASP  45   9.773  -1.407 -10.761
  315   2HB   ASP  45          1HB       ASP  45   9.577  -2.469 -12.152
  316    H    GLY  46           H        GLY  46   5.478  -2.929 -11.102
  317   1HA   GLY  46          1HA       GLY  46   5.026  -3.940 -13.499
  318   2HA   GLY  46          2HA       GLY  46   5.846  -5.309 -12.762
  319    H    GLU  47           H        GLU  47   4.902  -6.177 -10.763
  320    HA   GLU  47           HA       GLU  47   2.018  -5.676 -10.519
  321   1HB   GLU  47          2HB       GLU  47   3.356  -8.242 -11.267
  322   2HB   GLU  47          1HB       GLU  47   1.902  -8.300 -10.280
  323   1HG   GLU  47          2HG       GLU  47   1.414  -6.538 -12.441
  324   2HG   GLU  47          1HG       GLU  47   2.140  -8.008 -13.088
  325    H    TRP  48           H        TRP  48   1.754  -5.099  -8.467
  326    HA   TRP  48           HA       TRP  48   3.112  -6.700  -6.407
  327   1HB   TRP  48          2HB       TRP  48   4.113  -4.439  -6.571
  328   2HB   TRP  48          1HB       TRP  48   2.529  -3.735  -6.264
  329    HD1  TRP  48           HD       TRP  48   5.173  -5.926  -4.478
  330    HE1  TRP  48           1HE      TRP  48   4.943  -5.549  -1.944
  331    HE3  TRP  48           3HE      TRP  48   1.047  -2.908  -4.480
  332    HZ2  TRP  48           2HZ      TRP  48   3.241  -4.156  -0.182
  333    HZ3  TRP  48           3HZ      TRP  48   0.177  -2.101  -2.325
  334    HH2  TRP  48           HH       TRP  48   1.253  -2.715  -0.218
  335    H    GLN  49           H        GLN  49   1.937  -7.242  -4.622
  336    HA   GLN  49           HA       GLN  49  -0.817  -6.293  -4.410
  337   1HB   GLN  49          2HB       GLN  49  -1.315  -8.264  -5.529
  338   2HB   GLN  49          1HB       GLN  49   0.078  -9.109  -4.873
  339   1HG   GLN  49          2HG       GLN  49  -1.595 -10.157  -3.749
  340   2HG   GLN  49          1HG       GLN  49  -1.235  -8.858  -2.614
  341   1HE2  GLN  49          1HE2      GLN  49  -2.862  -7.623  -1.966
  342   2HE2  GLN  49          2HE2      GLN  49  -4.413  -7.526  -2.734
  343    H    CYS  50           H        CYS  50  -1.401  -5.926  -2.347
  344    HA   CYS  50           HA       CYS  50   0.510  -6.111  -0.247
  345   1HB   CYS  50          2HB       CYS  50  -1.311  -5.181   1.128
  346   2HB   CYS  50          1HB       CYS  50  -1.197  -4.322  -0.407
  347    HA   PRO  51           HA       PRO  51  -0.626 -10.023   1.705
  348   1HB   PRO  51          2HB       PRO  51  -1.325  -8.660   4.219
  349   2HB   PRO  51          1HB       PRO  51  -0.067  -9.860   3.911
  350   1HG   PRO  51          2HG       PRO  51   0.503  -7.267   4.392
  351   2HG   PRO  51          1HG       PRO  51   1.487  -8.274   3.314
  352   1HD   PRO  51          2HD       PRO  51  -0.553  -6.198   2.642
  353   2HD   PRO  51          1HD       PRO  51   0.986  -6.572   1.839
  354    H    ARG  52           H        ARG  52  -2.593  -7.303   2.716
  355    HA   ARG  52           HA       ARG  52  -4.910  -7.948   1.407
  356   1HB   ARG  52          2HB       ARG  52  -4.682  -9.714   3.491
  357   2HB   ARG  52          1HB       ARG  52  -5.614  -8.417   4.230
  358   1HG   ARG  52          2HG       ARG  52  -7.445  -8.852   3.004
  359   2HG   ARG  52          1HG       ARG  52  -6.512  -9.281   1.567
  360   1HD   ARG  52          2HD       ARG  52  -7.074 -11.384   2.038
  361   2HD   ARG  52          1HD       ARG  52  -5.867 -11.282   3.316
  362    HE   ARG  52           HE       ARG  52  -8.765 -10.844   3.698
  363   1HH1  ARG  52          2HH1      ARG  52  -5.622 -11.821   4.894
  364   2HH1  ARG  52          1HH1      ARG  52  -6.206 -12.208   6.487
  365   1HH2  ARG  52          2HH2      ARG  52  -9.542 -11.353   5.776
  366   2HH2  ARG  52          1HH2      ARG  52  -8.444 -11.943   6.994
  367    H    CYS  53           H        CYS  53  -3.332  -5.767   1.875
  368    HA   CYS  53           HA       CYS  53  -3.156  -3.664   2.697
  369   1HB   CYS  53          2HB       CYS  53  -5.877  -4.153   1.795
  370   2HB   CYS  53          1HB       CYS  53  -5.773  -2.806   2.926
  371    H    THR  54           H        THR  54  -2.659  -5.213   4.718
  372    HA   THR  54           HA       THR  54  -4.408  -4.444   6.934
  373    HB   THR  54           HB       THR  54  -4.137  -6.821   6.760
  374    HG1  THR  54           1HG      THR  54  -4.134  -6.021   8.893
  375   1HG2  THR  54          1HG2      THR  54  -1.904  -6.638   5.532
  376   2HG2  THR  54          2HG2      THR  54  -2.104  -7.984   6.653
  377   3HG2  THR  54          3HG2      THR  54  -1.168  -6.568   7.131
  378    H    CYS  55           H        CYS  55  -3.805  -2.859   8.198
  379    HA   CYS  55           HA       CYS  55  -1.060  -1.916   8.186
  380   1HB   CYS  55          2HB       CYS  55  -3.132  -0.636   9.895
  381   2HB   CYS  55          1HB       CYS  55  -1.851   0.101   8.938
  382    HG   CYS  55           HG       CYS  55  -4.751  -1.212   7.669
  383    HA   PRO  56           HA       PRO  56  -1.364  -2.995  12.793
  384   1HB   PRO  56          2HB       PRO  56  -3.808  -4.227  13.568
  385   2HB   PRO  56          1HB       PRO  56  -3.266  -2.589  13.932
  386   1HG   PRO  56          2HG       PRO  56  -5.421  -3.249  12.302
  387   2HG   PRO  56          1HG       PRO  56  -4.589  -1.685  12.328
  388   1HD   PRO  56          2HD       PRO  56  -4.280  -3.970  10.426
  389   2HD   PRO  56          1HD       PRO  56  -4.221  -2.221  10.113
  390    H    ALA  57           H        ALA  57   0.067  -4.607  11.896
  391    HA   ALA  57           HA       ALA  57  -0.972  -7.353  11.916
  392   1HB   ALA  57          1HB       ALA  57   1.490  -6.095  10.761
  393   2HB   ALA  57          2HB       ALA  57   1.427  -7.832  11.064
  394   3HB   ALA  57          3HB       ALA  57   0.264  -7.085   9.968
  395    H    LEU  58           H        LEU  58   0.375  -8.997  12.986
  396    HA   LEU  58           HA       LEU  58   1.395  -9.901  14.799
  397   1HB   LEU  58          2HB       LEU  58   2.892  -7.465  14.309
  398   2HB   LEU  58          1HB       LEU  58   2.854  -7.849  16.018
  399    HG   LEU  58           HG       LEU  58   3.716  -9.821  13.909
  400   1HD1  LEU  58          1HD1      LEU  58   5.139  -7.745  14.003
  401   2HD1  LEU  58          2HD1      LEU  58   5.530  -8.186  15.664
  402   3HD1  LEU  58          3HD1      LEU  58   5.977  -9.260  14.340
  403   1HD2  LEU  58          1HD2      LEU  58   3.695  -9.769  16.900
  404   2HD2  LEU  58          2HD2      LEU  58   3.178 -11.043  15.796
  405   3HD2  LEU  58          3HD2      LEU  58   4.895 -10.727  16.034
  406    H    LYS  59           H        LYS  59   1.639  -6.873  16.472
  407    HA   LYS  59           HA       LYS  59  -0.715  -7.610  18.084
  408   1HB   LYS  59          2HB       LYS  59   2.008  -7.137  18.876
  409   2HB   LYS  59          1HB       LYS  59   0.969  -5.919  19.602
  410   1HG   LYS  59          2HG       LYS  59   0.299  -8.836  19.759
  411   2HG   LYS  59          1HG       LYS  59   1.397  -8.073  20.910
  412   1HD   LYS  59          2HD       LYS  59  -1.435  -7.191  20.356
  413   2HD   LYS  59          1HD       LYS  59  -0.928  -8.162  21.738
  414   1HE   LYS  59          2HE       LYS  59   0.249  -6.396  22.699
  415   2HE   LYS  59          1HE       LYS  59   0.339  -5.507  21.181
  416   1HZ   LYS  59          1HZ       LYS  59  -2.018  -5.061  21.319
  417   2HZ   LYS  59          2HZ       LYS  59  -1.246  -4.526  22.733
  418   3HZ   LYS  59          3HZ       LYS  59  -2.141  -5.964  22.749
  419    H    GLY  60           H        GLY  60   0.136  -5.603  15.768
  420   1HA   GLY  60          1HA       GLY  60  -1.629  -3.865  15.369
  421   2HA   GLY  60          2HA       GLY  60  -1.227  -3.275  16.975
  422    H    LYS  61           H        LYS  61  -1.034  -1.342  15.361
  423    HA   LYS  61           HA       LYS  61   1.813  -0.916  15.058
  424   1HB   LYS  61          2HB       LYS  61   0.961  -1.740  12.822
  425   2HB   LYS  61          1HB       LYS  61  -0.032  -0.291  12.747
  426   1HG   LYS  61          2HG       LYS  61   1.686   0.695  11.752
  427   2HG   LYS  61          1HG       LYS  61   2.497   0.668  13.319
  428   1HD   LYS  61          2HD       LYS  61   3.800  -1.136  12.767
  429   2HD   LYS  61          1HD       LYS  61   2.624  -1.767  11.613
  430   1HE   LYS  61          2HE       LYS  61   4.102  -0.978  10.100
  431   2HE   LYS  61          1HE       LYS  61   3.259   0.542  10.397
  432   1HZ   LYS  61          1HZ       LYS  61   5.209   1.379  10.987
  433   2HZ   LYS  61          2HZ       LYS  61   5.963  -0.137  10.924
  434   3HZ   LYS  61          3HZ       LYS  61   5.200   0.370  12.352
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1 -15.939   1.622  -4.667
    2   2H    GLY   1          2H        GLY   1 -16.629   1.399  -3.135
    3   3H    GLY   1          3H        GLY   1 -15.182   0.611  -3.532
    4   1HA   GLY   1          2HA       GLY   1 -14.006   2.695  -3.642
    5   2HA   GLY   1          1HA       GLY   1 -15.510   3.556  -3.334
    6    HA   PRO   2           HA       PRO   2 -13.826   1.240   0.614
    7   1HB   PRO   2          2HB       PRO   2 -11.024   2.123   0.421
    8   2HB   PRO   2          1HB       PRO   2 -11.679   0.526   0.800
    9   1HG   PRO   2          2HG       PRO   2 -10.494   1.015  -1.550
   10   2HG   PRO   2          1HG       PRO   2 -11.902  -0.057  -1.428
   11   1HD   PRO   2          2HD       PRO   2 -11.773   2.803  -2.327
   12   2HD   PRO   2          1HD       PRO   2 -12.673   1.439  -3.029
   13    H    LEU   3           H        LEU   3 -13.115   4.380  -0.613
   14    HA   LEU   3           HA       LEU   3 -12.988   5.450   2.124
   15   1HB   LEU   3          2HB       LEU   3 -12.243   6.787  -0.478
   16   2HB   LEU   3          1HB       LEU   3 -12.102   7.505   1.112
   17    HG   LEU   3           HG       LEU   3 -10.513   5.180   0.027
   18   1HD1  LEU   3          1HD1      LEU   3 -10.028   7.662  -0.562
   19   2HD1  LEU   3          2HD1      LEU   3  -9.411   7.742   1.088
   20   3HD1  LEU   3          3HD1      LEU   3  -8.706   6.608  -0.062
   21   1HD2  LEU   3          1HD2      LEU   3  -9.293   5.338   2.207
   22   2HD2  LEU   3          2HD2      LEU   3 -10.604   6.360   2.798
   23   3HD2  LEU   3          3HD2      LEU   3 -10.930   4.692   2.324
   24    H    GLY   4           H        GLY   4 -15.309   4.642   0.202
   25   1HA   GLY   4          1HA       GLY   4 -17.504   5.299   0.029
   26   2HA   GLY   4          2HA       GLY   4 -17.142   6.584   1.171
   27    H    SER   5           H        SER   5 -16.457   8.601   0.404
   28    HA   SER   5           HA       SER   5 -17.593   9.374  -2.092
   29   1HB   SER   5          2HB       SER   5 -15.945  11.445  -1.151
   30   2HB   SER   5          1HB       SER   5 -17.683  11.270  -0.900
   31    HG   SER   5           HG       SER   5 -17.330  10.758   1.106
   32    H    ASP   6           H        ASP   6 -14.401   8.561  -0.974
   33    HA   ASP   6           HA       ASP   6 -13.286   9.273  -3.604
   34   1HB   ASP   6          2HB       ASP   6 -12.324  10.072  -1.222
   35   2HB   ASP   6          1HB       ASP   6 -11.467   8.543  -1.371
   36    H    HIS   7           H        HIS   7 -11.614   7.769  -4.420
   37    HA   HIS   7           HA       HIS   7 -12.444   4.996  -3.889
   38   1HB   HIS   7          2HB       HIS   7 -12.790   5.955  -6.207
   39   2HB   HIS   7          1HB       HIS   7 -11.038   6.023  -6.356
   40    HD2  HIS   7           2HD      HIS   7 -10.435   4.018  -8.017
   41    HE1  HIS   7           1HE      HIS   7 -12.829   1.048  -6.189
   42    HE2  HIS   7           2HE      HIS   7 -11.280   1.563  -8.128
   43    H    HIS   8           H        HIS   8  -9.540   6.666  -5.119
   44    HA   HIS   8           HA       HIS   8  -7.889   4.638  -3.821
   45   1HB   HIS   8          2HB       HIS   8  -7.678   5.838  -6.265
   46   2HB   HIS   8          1HB       HIS   8  -6.553   6.799  -5.311
   47    HD2  HIS   8           2HD      HIS   8  -6.567   3.654  -7.318
   48    HE1  HIS   8           1HE      HIS   8  -3.389   3.254  -4.554
   49    HE2  HIS   8           2HE      HIS   8  -4.560   2.202  -6.540
   50    H    MET   9           H        MET   9  -5.727   5.586  -2.968
   51    HA   MET   9           HA       MET   9  -6.357   7.863  -1.204
   52   1HB   MET   9          2HB       MET   9  -5.654   5.221  -0.486
   53   2HB   MET   9          1HB       MET   9  -4.243   6.216  -0.156
   54   1HG   MET   9          2HG       MET   9  -5.401   7.551   1.370
   55   2HG   MET   9          1HG       MET   9  -6.972   6.980   0.806
   56   1HE   MET   9          1HE       MET   9  -7.121   3.350   2.188
   57   2HE   MET   9          2HE       MET   9  -7.958   4.620   1.295
   58   3HE   MET   9          3HE       MET   9  -6.539   3.840   0.598
   59    H    GLU  10           H        GLU  10  -4.749   9.397  -0.910
   60    HA   GLU  10           HA       GLU  10  -2.576   9.262  -2.880
   61   1HB   GLU  10          2HB       GLU  10  -3.604  11.659  -1.344
   62   2HB   GLU  10          1HB       GLU  10  -2.445  11.685  -2.667
   63   1HG   GLU  10          2HG       GLU  10  -5.073  10.441  -3.202
   64   2HG   GLU  10          1HG       GLU  10  -5.032  12.190  -2.999
   65    H    PHE  11           H        PHE  11  -2.599   7.919  -0.255
   66    HA   PHE  11           HA       PHE  11   0.061   8.553   0.561
   67   1HB   PHE  11          2HB       PHE  11  -0.422   9.187   2.874
   68   2HB   PHE  11          1HB       PHE  11  -1.130  10.351   1.763
   69    HD1  PHE  11           1HD      PHE  11  -3.591  10.319   1.365
   70    HD2  PHE  11           2HD      PHE  11  -1.741   7.957   4.384
   71    HE1  PHE  11           1HE      PHE  11  -5.769  10.039   2.474
   72    HE2  PHE  11           2HE      PHE  11  -3.917   7.664   5.493
   73    HZ   PHE  11           HZ       PHE  11  -5.934   8.707   4.539
   74    H    CYS  12           H        CYS  12   0.873   7.033   2.102
   75    HA   CYS  12           HA       CYS  12  -0.391   4.457   1.811
   76   1HB   CYS  12          2HB       CYS  12   1.752   3.812   1.932
   77   2HB   CYS  12          1HB       CYS  12   2.243   5.449   2.357
   78    HG   CYS  12           HG       CYS  12   2.820   5.025   4.792
   79    H    ARG  13           H        ARG  13  -1.935   3.770   3.136
   80    HA   ARG  13           HA       ARG  13  -2.846   5.263   5.285
   81   1HB   ARG  13          2HB       ARG  13  -4.028   2.946   5.873
   82   2HB   ARG  13          1HB       ARG  13  -4.542   3.960   4.534
   83   1HG   ARG  13          2HG       ARG  13  -2.645   2.397   3.349
   84   2HG   ARG  13          1HG       ARG  13  -3.354   1.292   4.528
   85   1HD   ARG  13          2HD       ARG  13  -5.585   2.439   3.530
   86   2HD   ARG  13          1HD       ARG  13  -4.533   2.503   2.118
   87    HE   ARG  13           HE       ARG  13  -4.266   0.038   2.426
   88   1HH1  ARG  13          2HH1      ARG  13  -7.031   1.633   3.857
   89   2HH1  ARG  13          1HH1      ARG  13  -8.102   0.279   3.611
   90   1HH2  ARG  13          2HH2      ARG  13  -5.668  -1.760   2.097
   91   2HH2  ARG  13          1HH2      ARG  13  -7.321  -1.650   2.635
   92    H    VAL  14           H        VAL  14  -0.300   2.999   5.277
   93    HA   VAL  14           HA       VAL  14  -0.464   2.087   7.945
   94    HB   VAL  14           HB       VAL  14   1.929   2.298   6.112
   95   1HG1  VAL  14          1HG1      VAL  14   2.773   0.442   7.707
   96   2HG1  VAL  14          2HG1      VAL  14   2.924   2.128   8.198
   97   3HG1  VAL  14          3HG1      VAL  14   1.623   1.132   8.851
   98   1HG2  VAL  14          1HG2      VAL  14   1.448  -0.307   6.258
   99   2HG2  VAL  14          2HG2      VAL  14  -0.192   0.273   6.551
  100   3HG2  VAL  14          3HG2      VAL  14   0.655   0.730   5.073
  101    H    CYS  15           H        CYS  15   1.339   4.797   6.479
  102    HA   CYS  15           HA       CYS  15   1.902   5.739   9.210
  103   1HB   CYS  15          2HB       CYS  15   4.069   6.397   8.576
  104   2HB   CYS  15          1HB       CYS  15   3.851   4.809   7.853
  105    H    LYS  16           H        LYS  16   0.147   6.422   6.551
  106    HA   LYS  16           HA       LYS  16  -1.075   8.205   5.894
  107   1HB   LYS  16          2HB       LYS  16   0.041   9.222   8.442
  108   2HB   LYS  16          1HB       LYS  16  -0.578  10.421   7.314
  109   1HG   LYS  16          2HG       LYS  16  -2.352   8.132   7.714
  110   2HG   LYS  16          1HG       LYS  16  -2.060   9.092   9.166
  111   1HD   LYS  16          2HD       LYS  16  -2.765  10.414   6.573
  112   2HD   LYS  16          1HD       LYS  16  -4.021   9.736   7.610
  113   1HE   LYS  16          2HE       LYS  16  -3.989  11.627   8.777
  114   2HE   LYS  16          1HE       LYS  16  -2.360  11.212   9.308
  115   1HZ   LYS  16          1HZ       LYS  16  -2.361  12.340   6.688
  116   2HZ   LYS  16          2HZ       LYS  16  -1.499  12.819   8.064
  117   3HZ   LYS  16          3HZ       LYS  16  -3.080  13.390   7.810
  118    H    ASP  17           H        ASP  17   2.222   8.043   5.766
  119    HA   ASP  17           HA       ASP  17   2.700  10.586   4.474
  120   1HB   ASP  17          2HB       ASP  17   4.300   8.713   5.759
  121   2HB   ASP  17          1HB       ASP  17   4.734   8.534   4.065
  122    H    GLY  18           H        GLY  18   3.196  10.906   2.299
  123   1HA   GLY  18          1HA       GLY  18   2.300   8.734   0.500
  124   2HA   GLY  18          2HA       GLY  18   2.188  10.452   0.124
  125    H    GLY  19           H        GLY  19   3.357  10.173  -1.819
  126   1HA   GLY  19          1HA       GLY  19   5.513  10.829  -2.663
  127   2HA   GLY  19          2HA       GLY  19   6.259   9.931  -1.349
  128    H    GLU  20           H        GLU  20   7.059   8.009  -1.817
  129    HA   GLU  20           HA       GLU  20   6.573   6.824  -4.416
  130   1HB   GLU  20          2HB       GLU  20   8.146   5.577  -2.171
  131   2HB   GLU  20          1HB       GLU  20   8.305   5.296  -3.900
  132   1HG   GLU  20          2HG       GLU  20   9.717   6.994  -4.160
  133   2HG   GLU  20          1HG       GLU  20   8.751   8.068  -3.149
  134    H    LEU  21           H        LEU  21   4.354   6.383  -4.209
  135    HA   LEU  21           HA       LEU  21   3.549   4.561  -2.097
  136   1HB   LEU  21          2HB       LEU  21   2.262   6.575  -3.764
  137   2HB   LEU  21          1HB       LEU  21   1.307   5.117  -3.606
  138    HG   LEU  21           HG       LEU  21   0.729   5.575  -1.485
  139   1HD1  LEU  21          1HD1      LEU  21   3.096   5.102  -0.755
  140   2HD1  LEU  21          2HD1      LEU  21   3.383   6.838  -0.862
  141   3HD1  LEU  21          3HD1      LEU  21   2.181   6.213   0.266
  142   1HD2  LEU  21          1HD2      LEU  21   1.596   8.241  -1.180
  143   2HD2  LEU  21          2HD2      LEU  21   1.246   7.992  -2.890
  144   3HD2  LEU  21          3HD2      LEU  21   0.009   7.656  -1.679
  145    H    LEU  22           H        LEU  22   3.954   2.515  -2.515
  146    HA   LEU  22           HA       LEU  22   3.408   1.359  -5.136
  147   1HB   LEU  22          2HB       LEU  22   5.253   0.306  -4.168
  148   2HB   LEU  22          1HB       LEU  22   4.543   0.315  -2.564
  149    HG   LEU  22           HG       LEU  22   2.806  -1.335  -3.649
  150   1HD1  LEU  22          1HD1      LEU  22   4.858  -1.076  -5.694
  151   2HD1  LEU  22          2HD1      LEU  22   4.588  -2.746  -5.194
  152   3HD1  LEU  22          3HD1      LEU  22   3.241  -1.774  -5.788
  153   1HD2  LEU  22          1HD2      LEU  22   3.968  -3.111  -2.697
  154   2HD2  LEU  22          2HD2      LEU  22   5.541  -2.437  -3.122
  155   3HD2  LEU  22          3HD2      LEU  22   4.585  -1.705  -1.833
  156    H    CYS  23           H        CYS  23   1.374   0.958  -5.627
  157    HA   CYS  23           HA       CYS  23  -0.505   0.390  -3.436
  158   1HB   CYS  23          2HB       CYS  23  -1.496   1.187  -6.128
  159   2HB   CYS  23          1HB       CYS  23  -2.126   1.584  -4.533
  160    HG   CYS  23           HG       CYS  23   0.846   2.976  -5.085
  161    H    CYS  24           H        CYS  24  -2.024  -1.291  -3.676
  162    HA   CYS  24           HA       CYS  24  -1.146  -3.590  -4.999
  163   1HB   CYS  24          2HB       CYS  24  -4.012  -3.487  -4.477
  164   2HB   CYS  24          1HB       CYS  24  -2.780  -4.541  -3.785
  165    H    ASP  25           H        ASP  25  -2.279  -4.798  -6.699
  166    HA   ASP  25           HA       ASP  25  -2.456  -3.269  -9.029
  167   1HB   ASP  25          2HB       ASP  25  -1.824  -5.626  -9.088
  168   2HB   ASP  25          1HB       ASP  25  -3.434  -6.092  -8.558
  169    H    THR  26           H        THR  26  -5.096  -5.399  -8.075
  170    HA   THR  26           HA       THR  26  -6.967  -3.539  -9.285
  171    HB   THR  26           HB       THR  26  -7.018  -5.914  -9.932
  172    HG1  THR  26           1HG      THR  26  -9.036  -4.439  -9.554
  173   1HG2  THR  26          1HG2      THR  26  -7.937  -6.460  -7.109
  174   2HG2  THR  26          2HG2      THR  26  -6.327  -6.826  -7.736
  175   3HG2  THR  26          3HG2      THR  26  -7.743  -7.638  -8.408
  176    H    CYS  27           H        CYS  27  -5.682  -3.674  -6.390
  177    HA   CYS  27           HA       CYS  27  -8.166  -2.945  -5.010
  178   1HB   CYS  27          2HB       CYS  27  -7.301  -4.772  -3.832
  179   2HB   CYS  27          1HB       CYS  27  -5.645  -4.233  -4.015
  180    HA   PRO  28           HA       PRO  28  -6.458   1.035  -5.315
  181   1HB   PRO  28          2HB       PRO  28  -8.498   2.374  -4.216
  182   2HB   PRO  28          1HB       PRO  28  -8.695   1.466  -5.720
  183   1HG   PRO  28          2HG       PRO  28  -9.537   0.749  -2.950
  184   2HG   PRO  28          1HG       PRO  28 -10.354   0.435  -4.490
  185   1HD   PRO  28          2HD       PRO  28  -8.787  -1.396  -3.066
  186   2HD   PRO  28          1HD       PRO  28  -9.260  -1.543  -4.768
  187    H    SER  29           H        SER  29  -4.980  -0.053  -3.330
  188    HA   SER  29           HA       SER  29  -5.156   1.971  -1.204
  189   1HB   SER  29          2HB       SER  29  -4.152  -0.822  -0.730
  190   2HB   SER  29          1HB       SER  29  -4.703   0.368   0.451
  191    HG   SER  29           HG       SER  29  -6.234  -1.173  -1.364
  192    H    SER  30           H        SER  30  -3.397   3.149  -0.936
  193    HA   SER  30           HA       SER  30  -0.980   2.411  -2.377
  194   1HB   SER  30          2HB       SER  30  -0.749   4.968  -1.171
  195   2HB   SER  30          1HB       SER  30  -1.012   4.595  -2.875
  196    HG   SER  30           HG       SER  30  -2.777   5.739  -2.383
  197    H    TYR  31           H        TYR  31   0.950   2.002  -1.419
  198    HA   TYR  31           HA       TYR  31   1.143   2.293   1.505
  199   1HB   TYR  31          2HB       TYR  31   1.635  -0.174  -0.158
  200   2HB   TYR  31          1HB       TYR  31   2.351   0.032   1.437
  201    HD1  TYR  31           1HD      TYR  31   0.601   0.701   3.320
  202    HD2  TYR  31           2HD      TYR  31  -0.360  -1.288  -0.311
  203    HE1  TYR  31           1HE      TYR  31  -1.450  -0.175   4.351
  204    HE2  TYR  31           2HE      TYR  31  -2.415  -2.166   0.706
  205    HH   TYR  31           HH       TYR  31  -3.660  -2.287   2.518
  206    H    HIS  32           H        HIS  32   3.449   1.626   2.167
  207    HA   HIS  32           HA       HIS  32   5.405   2.683   0.242
  208   1HB   HIS  32          2HB       HIS  32   5.288   2.850   3.245
  209   2HB   HIS  32          1HB       HIS  32   6.843   2.854   2.427
  210    HD2  HIS  32           2HD      HIS  32   6.679   4.984   0.212
  211    HE1  HIS  32           1HE      HIS  32   4.704   7.459   3.027
  212    HE2  HIS  32           2HE      HIS  32   6.140   7.427   0.926
  213    H    ILE  33           H        ILE  33   7.163   1.316  -0.168
  214    HA   ILE  33           HA       ILE  33   6.677  -1.413   0.046
  215    HB   ILE  33           HB       ILE  33   9.197  -1.665  -0.444
  216   1HG1  ILE  33          2HG1      ILE  33   8.899   1.320  -0.848
  217   1HG2  ILE  33          1HG2      ILE  33   8.549  -0.315  -2.755
  218   2HG2  ILE  33          2HG2      ILE  33   8.164  -1.995  -2.384
  219   3HG2  ILE  33          3HG2      ILE  33   6.980  -0.728  -2.067
  220   1HD1  ILE  33          1HD1      ILE  33  11.162   1.371  -1.545
  221   2HD1  ILE  33          2HD1      ILE  33  11.374  -0.344  -1.198
  222   3HD1  ILE  33          3HD1      ILE  33  10.337   0.163  -2.531
  223    H    HIS  34           H        HIS  34   8.358   0.724   2.249
  224    HA   HIS  34           HA       HIS  34   9.182  -1.558   3.888
  225   1HB   HIS  34          2HB       HIS  34  10.496   0.750   3.296
  226   2HB   HIS  34          1HB       HIS  34   9.780   1.163   4.851
  227    HD2  HIS  34           2HD      HIS  34  10.664  -0.386   7.025
  228    HE1  HIS  34           1HE      HIS  34  13.923  -2.037   4.899
  229    HE2  HIS  34           2HE      HIS  34  12.733  -1.948   7.133
  230    H    CYS  35           H        CYS  35   6.447   0.225   3.595
  231    HA   CYS  35           HA       CYS  35   5.953   0.428   6.474
  232   1HB   CYS  35          2HB       CYS  35   4.580   1.527   4.050
  233   2HB   CYS  35          1HB       CYS  35   3.692   1.380   5.563
  234    H    LEU  36           H        LEU  36   5.294  -1.565   3.773
  235    HA   LEU  36           HA       LEU  36   2.989  -2.905   4.779
  236   1HB   LEU  36          2HB       LEU  36   5.114  -3.734   2.802
  237   2HB   LEU  36          1HB       LEU  36   3.696  -4.699   3.168
  238    HG   LEU  36           HG       LEU  36   3.218  -1.898   2.338
  239   1HD1  LEU  36          1HD1      LEU  36   3.696  -3.900   0.191
  240   2HD1  LEU  36          2HD1      LEU  36   3.737  -2.138   0.119
  241   3HD1  LEU  36          3HD1      LEU  36   5.067  -3.022   0.868
  242   1HD2  LEU  36          1HD2      LEU  36   1.523  -3.765   2.923
  243   2HD2  LEU  36          2HD2      LEU  36   1.230  -2.752   1.509
  244   3HD2  LEU  36          3HD2      LEU  36   1.894  -4.374   1.310
  245    H    ARG  37           H        ARG  37   2.940  -5.061   5.654
  246    HA   ARG  37           HA       ARG  37   4.604  -5.424   7.848
  247   1HB   ARG  37          2HB       ARG  37   2.301  -6.597   6.944
  248   2HB   ARG  37          1HB       ARG  37   3.459  -7.913   6.802
  249   1HG   ARG  37          2HG       ARG  37   3.788  -6.579   9.320
  250   2HG   ARG  37          1HG       ARG  37   2.106  -7.061   9.092
  251   1HD   ARG  37          2HD       ARG  37   3.389  -8.816  10.195
  252   2HD   ARG  37          1HD       ARG  37   2.808  -9.341   8.616
  253    HE   ARG  37           HE       ARG  37   5.591  -8.560   9.221
  254   1HH1  ARG  37          2HH1      ARG  37   3.231 -10.335   7.331
  255   2HH1  ARG  37          1HH1      ARG  37   4.438 -11.170   6.388
  256   1HH2  ARG  37          2HH2      ARG  37   7.173  -9.648   7.964
  257   2HH2  ARG  37          1HH2      ARG  37   6.659 -10.789   6.752
  258    HA   PRO  38           HA       PRO  38   7.419  -8.344   5.420
  259   1HB   PRO  38          2HB       PRO  38   6.789  -9.098   2.881
  260   2HB   PRO  38          1HB       PRO  38   6.238  -9.972   4.311
  261   1HG   PRO  38          2HG       PRO  38   4.704  -8.343   2.444
  262   2HG   PRO  38          1HG       PRO  38   4.128  -9.486   3.666
  263   1HD   PRO  38          2HD       PRO  38   4.267  -6.590   3.795
  264   2HD   PRO  38          1HD       PRO  38   3.515  -7.721   4.936
  265    H    ALA  39           H        ALA  39   8.146  -6.034   5.553
  266    HA   ALA  39           HA       ALA  39   8.054  -4.149   3.619
  267   1HB   ALA  39          1HB       ALA  39   9.002  -3.706   5.788
  268   2HB   ALA  39          2HB       ALA  39  10.389  -4.734   5.428
  269   3HB   ALA  39          3HB       ALA  39  10.150  -3.234   4.535
  270    H    LEU  40           H        LEU  40   8.811  -3.804   1.676
  271    HA   LEU  40           HA       LEU  40  10.704  -5.732   0.531
  272   1HB   LEU  40          2HB       LEU  40   8.771  -3.794  -0.741
  273   2HB   LEU  40          1HB       LEU  40   9.934  -4.739  -1.651
  274    HG   LEU  40           HG       LEU  40   8.420  -6.498   0.024
  275   1HD1  LEU  40          1HD1      LEU  40   6.914  -4.264  -0.758
  276   2HD1  LEU  40          2HD1      LEU  40   6.445  -5.578  -1.835
  277   3HD1  LEU  40          3HD1      LEU  40   6.323  -5.784  -0.087
  278   1HD2  LEU  40          1HD2      LEU  40   9.657  -6.710  -2.294
  279   2HD2  LEU  40          2HD2      LEU  40   8.285  -7.741  -1.888
  280   3HD2  LEU  40          3HD2      LEU  40   8.053  -6.331  -2.923
  281    H    TYR  41           H        TYR  41  12.641  -5.100  -0.269
  282    HA   TYR  41           HA       TYR  41  13.539  -2.430   0.441
  283   1HB   TYR  41          2HB       TYR  41  14.929  -4.922  -0.515
  284   2HB   TYR  41          1HB       TYR  41  15.769  -3.374  -0.445
  285    HD1  TYR  41           1HD      TYR  41  15.432  -2.107   1.894
  286    HD2  TYR  41           2HD      TYR  41  15.136  -6.311   1.312
  287    HE1  TYR  41           1HE      TYR  41  15.912  -2.463   4.278
  288    HE2  TYR  41           2HE      TYR  41  15.607  -6.677   3.697
  289    HH   TYR  41           HH       TYR  41  15.822  -5.705   5.707
  290    H    GLU  42           H        GLU  42  12.442  -4.115  -2.308
  291    HA   GLU  42           HA       GLU  42  13.128  -1.799  -3.980
  292   1HB   GLU  42          2HB       GLU  42  13.521  -4.703  -4.552
  293   2HB   GLU  42          1HB       GLU  42  13.056  -3.648  -5.878
  294   1HG   GLU  42          2HG       GLU  42  15.188  -2.441  -4.409
  295   2HG   GLU  42          1HG       GLU  42  15.620  -4.098  -4.831
  296    H    VAL  43           H        VAL  43  11.565  -1.277  -5.574
  297    HA   VAL  43           HA       VAL  43   8.887  -1.806  -4.737
  298    HB   VAL  43           HB       VAL  43   9.826  -0.467  -7.281
  299   1HG1  VAL  43          1HG1      VAL  43   7.164  -0.488  -5.871
  300   2HG1  VAL  43          2HG1      VAL  43   7.595   0.666  -7.133
  301   3HG1  VAL  43          3HG1      VAL  43   7.530  -1.057  -7.500
  302   1HG2  VAL  43          1HG2      VAL  43   8.923   1.485  -5.535
  303   2HG2  VAL  43          2HG2      VAL  43   9.881   0.408  -4.518
  304   3HG2  VAL  43          3HG2      VAL  43  10.602   1.140  -5.951
  305    HA   PRO  44           HA       PRO  44   8.455  -5.729  -6.781
  306   1HB   PRO  44          2HB       PRO  44   5.574  -5.024  -6.522
  307   2HB   PRO  44          1HB       PRO  44   6.420  -6.498  -6.038
  308   1HG   PRO  44          2HG       PRO  44   5.674  -4.697  -4.225
  309   2HG   PRO  44          1HG       PRO  44   7.218  -5.557  -4.080
  310   1HD   PRO  44          2HD       PRO  44   6.682  -2.748  -4.925
  311   2HD   PRO  44          1HD       PRO  44   8.050  -3.415  -4.012
  312    H    ASP  45           H        ASP  45   7.992  -6.500  -8.788
  313    HA   ASP  45           HA       ASP  45   7.086  -4.502 -10.755
  314   1HB   ASP  45          2HB       ASP  45   9.227  -5.027 -11.432
  315   2HB   ASP  45          1HB       ASP  45   9.132  -6.675 -10.821
  316    H    GLY  46           H        GLY  46   5.473  -4.949 -12.147
  317   1HA   GLY  46          1HA       GLY  46   3.813  -6.082 -13.237
  318   2HA   GLY  46          2HA       GLY  46   4.669  -7.561 -12.841
  319    H    GLU  47           H        GLU  47   3.748  -8.928 -11.472
  320    HA   GLU  47           HA       GLU  47   1.101  -8.339 -10.562
  321   1HB   GLU  47          2HB       GLU  47   2.506 -10.788  -9.631
  322   2HB   GLU  47          1HB       GLU  47   0.867 -10.596 -10.237
  323   1HG   GLU  47          2HG       GLU  47   1.637 -11.604 -12.065
  324   2HG   GLU  47          1HG       GLU  47   2.346 -10.035 -12.454
  325    H    TRP  48           H        TRP  48   0.390  -7.839  -8.583
  326    HA   TRP  48           HA       TRP  48   1.780  -8.533  -6.232
  327   1HB   TRP  48          2HB       TRP  48   3.082  -6.476  -6.988
  328   2HB   TRP  48          1HB       TRP  48   1.619  -5.550  -6.655
  329    HD1  TRP  48           HD       TRP  48   4.317  -7.610  -4.853
  330    HE1  TRP  48           1HE      TRP  48   4.287  -6.997  -2.353
  331    HE3  TRP  48           3HE      TRP  48   0.196  -4.593  -4.815
  332    HZ2  TRP  48           2HZ      TRP  48   2.718  -5.436  -0.600
  333    HZ3  TRP  48           3HZ      TRP  48  -0.503  -3.575  -2.685
  334    HH2  TRP  48           HH       TRP  48   0.731  -3.994  -0.623
  335    H    GLN  49           H        GLN  49   0.333  -8.885  -4.740
  336    HA   GLN  49           HA       GLN  49  -2.036  -7.182  -4.614
  337   1HB   GLN  49          2HB       GLN  49  -2.023 -10.084  -5.095
  338   2HB   GLN  49          1HB       GLN  49  -3.063  -9.576  -3.771
  339   1HG   GLN  49          2HG       GLN  49  -3.201  -8.183  -6.410
  340   2HG   GLN  49          1HG       GLN  49  -4.018  -9.728  -6.170
  341   1HE2  GLN  49          1HE2      GLN  49  -3.670  -6.546  -4.620
  342   2HE2  GLN  49          2HE2      GLN  49  -5.313  -6.432  -4.097
  343    H    CYS  50           H        CYS  50  -2.907  -7.001  -2.503
  344    HA   CYS  50           HA       CYS  50  -0.881  -6.776  -0.605
  345   1HB   CYS  50          2HB       CYS  50  -3.310  -6.585   0.742
  346   2HB   CYS  50          1HB       CYS  50  -2.394  -5.271   0.006
  347    HA   PRO  51           HA       PRO  51  -1.065 -10.679   1.495
  348   1HB   PRO  51          2HB       PRO  51   0.252 -10.015   3.749
  349   2HB   PRO  51          1HB       PRO  51   1.070 -10.149   2.188
  350   1HG   PRO  51          2HG       PRO  51   0.157  -7.701   3.644
  351   2HG   PRO  51          1HG       PRO  51   1.657  -7.975   2.741
  352   1HD   PRO  51          2HD       PRO  51  -0.517  -6.632   1.741
  353   2HD   PRO  51          1HD       PRO  51   0.677  -7.476   0.735
  354    H    ARG  52           H        ARG  52  -2.284  -7.746   2.946
  355    HA   ARG  52           HA       ARG  52  -4.504  -9.125   4.102
  356   1HB   ARG  52          2HB       ARG  52  -4.040  -8.212   6.446
  357   2HB   ARG  52          1HB       ARG  52  -3.117  -9.620   5.947
  358   1HG   ARG  52          2HG       ARG  52  -1.380  -8.447   6.755
  359   2HG   ARG  52          1HG       ARG  52  -1.438  -7.649   5.181
  360   1HD   ARG  52          2HD       ARG  52  -2.232  -5.721   6.039
  361   2HD   ARG  52          1HD       ARG  52  -3.227  -6.542   7.240
  362    HE   ARG  52           HE       ARG  52  -0.841  -6.949   8.296
  363   1HH1  ARG  52          2HH1      ARG  52  -2.117  -4.061   6.773
  364   2HH1  ARG  52          1HH1      ARG  52  -1.189  -2.974   7.762
  365   1HH2  ARG  52          2HH2      ARG  52   0.375  -5.519   9.617
  366   2HH2  ARG  52          1HH2      ARG  52   0.244  -3.801   9.370
  367    H    CYS  53           H        CYS  53  -4.202  -7.075   2.180
  368    HA   CYS  53           HA       CYS  53  -5.339  -4.777   3.623
  369   1HB   CYS  53          2HB       CYS  53  -3.394  -3.906   2.743
  370   2HB   CYS  53          1HB       CYS  53  -3.433  -4.958   1.340
  371    H    THR  54           H        THR  54  -5.562  -6.872   0.817
  372    HA   THR  54           HA       THR  54  -7.872  -5.719  -0.350
  373    HB   THR  54           HB       THR  54  -7.903  -8.527  -0.773
  374    HG1  THR  54           1HG      THR  54  -5.277  -7.405  -1.037
  375   1HG2  THR  54          1HG2      THR  54  -6.750  -6.339  -2.504
  376   2HG2  THR  54          2HG2      THR  54  -8.465  -6.730  -2.388
  377   3HG2  THR  54          3HG2      THR  54  -7.335  -7.914  -3.044
  378    H    CYS  55           H        CYS  55  -7.309  -8.066   2.180
  379    HA   CYS  55           HA       CYS  55 -10.151  -7.910   2.901
  380   1HB   CYS  55          2HB       CYS  55  -9.112 -10.419   3.758
  381   2HB   CYS  55          1HB       CYS  55 -10.421 -10.114   2.619
  382    HG   CYS  55           HG       CYS  55  -7.127 -10.203   1.690
  383    HA   PRO  56           HA       PRO  56  -7.557  -6.628   6.440
  384   1HB   PRO  56          2HB       PRO  56  -9.828  -4.927   7.128
  385   2HB   PRO  56          1HB       PRO  56  -8.175  -4.463   6.719
  386   1HG   PRO  56          2HG       PRO  56 -10.271  -3.968   5.082
  387   2HG   PRO  56          1HG       PRO  56  -8.639  -4.298   4.471
  388   1HD   PRO  56          2HD       PRO  56 -10.997  -6.135   4.669
  389   2HD   PRO  56          1HD       PRO  56  -9.831  -5.945   3.342
  390    H    ALA  57           H        ALA  57  -9.086  -9.019   6.468
  391    HA   ALA  57           HA       ALA  57 -10.856  -8.958   8.746
  392   1HB   ALA  57          1HB       ALA  57  -9.732 -11.373   7.342
  393   2HB   ALA  57          2HB       ALA  57 -11.162 -11.298   8.370
  394   3HB   ALA  57          3HB       ALA  57 -11.165 -10.499   6.798
  395    H    LEU  58           H        LEU  58  -7.730 -10.495   8.011
  396    HA   LEU  58           HA       LEU  58  -7.235 -11.224  10.725
  397   1HB   LEU  58          2HB       LEU  58  -6.234 -12.442   8.859
  398   2HB   LEU  58          1HB       LEU  58  -5.360 -11.002   8.365
  399    HG   LEU  58           HG       LEU  58  -4.765 -11.656  11.118
  400   1HD1  LEU  58          1HD1      LEU  58  -3.611 -13.728   9.380
  401   2HD1  LEU  58          2HD1      LEU  58  -4.111 -13.806  11.070
  402   3HD1  LEU  58          3HD1      LEU  58  -5.314 -13.937   9.787
  403   1HD2  LEU  58          1HD2      LEU  58  -3.400 -10.199   9.758
  404   2HD2  LEU  58          2HD2      LEU  58  -2.462 -11.614  10.237
  405   3HD2  LEU  58          3HD2      LEU  58  -3.112 -11.499   8.603
  406    H    LYS  59           H        LYS  59  -6.027  -8.645   8.611
  407    HA   LYS  59           HA       LYS  59  -5.602  -6.920  10.890
  408   1HB   LYS  59          2HB       LYS  59  -3.442  -8.447   9.863
  409   2HB   LYS  59          1HB       LYS  59  -3.188  -6.788   9.344
  410   1HG   LYS  59          2HG       LYS  59  -2.373  -6.320  11.344
  411   2HG   LYS  59          1HG       LYS  59  -3.948  -6.685  12.052
  412   1HD   LYS  59          2HD       LYS  59  -2.651  -9.144  11.473
  413   2HD   LYS  59          1HD       LYS  59  -1.509  -8.111  12.336
  414   1HE   LYS  59          2HE       LYS  59  -4.333  -8.573  13.265
  415   2HE   LYS  59          1HE       LYS  59  -2.980  -9.585  13.767
  416   1HZ   LYS  59          1HZ       LYS  59  -3.072  -8.037  15.437
  417   2HZ   LYS  59          2HZ       LYS  59  -3.531  -6.767  14.408
  418   3HZ   LYS  59          3HZ       LYS  59  -1.929  -7.321  14.406
  419    H    GLY  60           H        GLY  60  -4.725  -4.745  10.083
  420   1HA   GLY  60          1HA       GLY  60  -4.880  -4.043   7.359
  421   2HA   GLY  60          2HA       GLY  60  -6.424  -3.700   8.134
  422    H    LYS  61           H        LYS  61  -6.544  -1.602   8.556
  423    HA   LYS  61           HA       LYS  61  -4.155  -0.184   9.491
  424   1HB   LYS  61          2HB       LYS  61  -6.157   0.555   7.720
  425   2HB   LYS  61          1HB       LYS  61  -6.588   1.401   9.200
  426   1HG   LYS  61          2HG       LYS  61  -3.775   1.666   8.708
  427   2HG   LYS  61          1HG       LYS  61  -4.695   2.152   7.283
  428   1HD   LYS  61          2HD       LYS  61  -4.821   4.131   8.353
  429   2HD   LYS  61          1HD       LYS  61  -6.140   3.347   9.226
  430   1HE   LYS  61          2HE       LYS  61  -4.905   4.113  10.992
  431   2HE   LYS  61          1HE       LYS  61  -4.174   2.525  10.776
  432   1HZ   LYS  61          1HZ       LYS  61  -2.291   3.723  10.774
  433   2HZ   LYS  61          2HZ       LYS  61  -3.055   5.164  10.305
  434   3HZ   LYS  61          3HZ       LYS  61  -2.669   3.991   9.143
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -17.205   0.341   7.649
    2   2H    GLY   1          2H        GLY   1 -17.067   0.506   5.971
    3   3H    GLY   1          3H        GLY   1 -16.397  -0.844   6.747
    4   1HA   GLY   1          2HA       GLY   1 -18.609  -1.597   7.396
    5   2HA   GLY   1          1HA       GLY   1 -19.293  -0.204   6.568
    6    HA   PRO   2           HA       PRO   2 -19.480  -3.753   3.568
    7   1HB   PRO   2          2HB       PRO   2 -21.575  -1.934   2.508
    8   2HB   PRO   2          1HB       PRO   2 -21.629  -3.681   2.777
    9   1HG   PRO   2          2HG       PRO   2 -22.911  -2.011   4.411
   10   2HG   PRO   2          1HG       PRO   2 -22.091  -3.453   5.036
   11   1HD   PRO   2          2HD       PRO   2 -21.226  -0.593   5.128
   12   2HD   PRO   2          1HD       PRO   2 -21.046  -1.868   6.350
   13    H    LEU   3           H        LEU   3 -20.047  -0.346   2.662
   14    HA   LEU   3           HA       LEU   3 -18.373  -0.667   0.297
   15   1HB   LEU   3          2HB       LEU   3 -20.412   1.218   1.195
   16   2HB   LEU   3          1HB       LEU   3 -19.011   2.021   0.512
   17    HG   LEU   3           HG       LEU   3 -19.271   0.634  -1.539
   18   1HD1  LEU   3          1HD1      LEU   3 -20.740  -1.031  -1.715
   19   2HD1  LEU   3          2HD1      LEU   3 -20.904  -0.925   0.037
   20   3HD1  LEU   3          3HD1      LEU   3 -22.039  -0.071  -1.007
   21   1HD2  LEU   3          1HD2      LEU   3 -20.283   2.945  -1.157
   22   2HD2  LEU   3          2HD2      LEU   3 -20.940   1.979  -2.478
   23   3HD2  LEU   3          3HD2      LEU   3 -21.820   2.104  -0.955
   24    H    GLY   4           H        GLY   4 -16.418  -1.100   1.394
   25   1HA   GLY   4          1HA       GLY   4 -15.355   0.748   3.308
   26   2HA   GLY   4          2HA       GLY   4 -14.511  -0.622   2.600
   27    H    SER   5           H        SER   5 -14.663   0.012  -0.080
   28    HA   SER   5           HA       SER   5 -12.645   2.061  -0.242
   29   1HB   SER   5          2HB       SER   5 -13.901   0.694  -2.607
   30   2HB   SER   5          1HB       SER   5 -12.247   1.278  -2.415
   31    HG   SER   5           HG       SER   5 -12.239  -0.410  -0.605
   32    H    ASP   6           H        ASP   6 -14.200   3.663   0.601
   33    HA   ASP   6           HA       ASP   6 -16.371   4.600  -0.968
   34   1HB   ASP   6          2HB       ASP   6 -16.382   5.164   1.340
   35   2HB   ASP   6          1HB       ASP   6 -14.754   5.827   1.265
   36    H    HIS   7           H        HIS   7 -12.979   5.481  -0.720
   37    HA   HIS   7           HA       HIS   7 -13.165   6.763  -3.330
   38   1HB   HIS   7          2HB       HIS   7 -13.429   8.638  -1.778
   39   2HB   HIS   7          1HB       HIS   7 -11.987   8.144  -0.901
   40    HD2  HIS   7           2HD      HIS   7 -10.054   9.876  -1.496
   41    HE1  HIS   7           1HE      HIS   7 -10.883  10.268  -5.623
   42    HE2  HIS   7           2HE      HIS   7  -9.426  11.069  -3.717
   43    H    HIS   8           H        HIS   8 -11.061   7.014  -4.338
   44    HA   HIS   8           HA       HIS   8  -9.355   4.787  -3.965
   45   1HB   HIS   8          2HB       HIS   8  -9.775   6.344  -6.054
   46   2HB   HIS   8          1HB       HIS   8  -8.444   7.270  -5.370
   47    HD2  HIS   8           2HD      HIS   8  -9.114   3.860  -7.109
   48    HE1  HIS   8           1HE      HIS   8  -4.940   4.457  -6.753
   49    HE2  HIS   8           2HE      HIS   8  -6.754   2.880  -7.564
   50    H    MET   9           H        MET   9  -7.926   4.532  -2.385
   51    HA   MET   9           HA       MET   9  -7.007   6.833  -0.873
   52   1HB   MET   9          2HB       MET   9  -6.794   3.855  -0.492
   53   2HB   MET   9          1HB       MET   9  -5.839   4.970   0.477
   54   1HG   MET   9          2HG       MET   9  -7.856   6.016   1.308
   55   2HG   MET   9          1HG       MET   9  -8.843   4.971   0.290
   56   1HE   MET   9          1HE       MET   9  -8.508   1.513   1.794
   57   2HE   MET   9          2HE       MET   9  -9.847   2.581   1.372
   58   3HE   MET   9          3HE       MET   9  -8.463   2.430   0.288
   59    H    GLU  10           H        GLU  10  -5.762   7.753  -2.584
   60    HA   GLU  10           HA       GLU  10  -3.474   6.323  -3.603
   61   1HB   GLU  10          2HB       GLU  10  -3.224   9.121  -4.076
   62   2HB   GLU  10          1HB       GLU  10  -3.610   7.847  -5.224
   63   1HG   GLU  10          2HG       GLU  10  -5.476   9.057  -5.513
   64   2HG   GLU  10          1HG       GLU  10  -6.017   8.168  -4.091
   65    H    PHE  11           H        PHE  11  -3.468   6.356  -0.864
   66    HA   PHE  11           HA       PHE  11  -0.925   7.594  -0.345
   67   1HB   PHE  11          2HB       PHE  11  -1.550   8.909   1.531
   68   2HB   PHE  11          1HB       PHE  11  -2.700   9.327   0.267
   69    HD1  PHE  11           1HD      PHE  11  -4.977   8.142   0.324
   70    HD2  PHE  11           2HD      PHE  11  -2.287   8.236   3.618
   71    HE1  PHE  11           1HE      PHE  11  -6.836   7.632   1.850
   72    HE2  PHE  11           2HE      PHE  11  -4.139   7.724   5.154
   73    HZ   PHE  11           HZ       PHE  11  -6.418   7.420   4.269
   74    H    CYS  12           H        CYS  12  -0.140   6.953   1.844
   75    HA   CYS  12           HA       CYS  12  -0.393   4.136   2.143
   76   1HB   CYS  12          2HB       CYS  12   1.289   6.267   3.147
   77   2HB   CYS  12          1HB       CYS  12   0.829   5.173   4.444
   78    HG   CYS  12           HG       CYS  12   3.371   4.817   2.865
   79    H    ARG  13           H        ARG  13  -2.027   3.140   3.162
   80    HA   ARG  13           HA       ARG  13  -3.488   4.506   5.289
   81   1HB   ARG  13          2HB       ARG  13  -4.575   2.087   5.400
   82   2HB   ARG  13          1HB       ARG  13  -5.062   3.258   4.186
   83   1HG   ARG  13          2HG       ARG  13  -3.965   2.144   2.482
   84   2HG   ARG  13          1HG       ARG  13  -2.893   1.293   3.597
   85   1HD   ARG  13          2HD       ARG  13  -5.438   0.487   4.358
   86   2HD   ARG  13          1HD       ARG  13  -5.513   0.534   2.596
   87    HE   ARG  13           HE       ARG  13  -3.389  -0.934   4.026
   88   1HH1  ARG  13          2HH1      ARG  13  -6.074  -0.918   1.777
   89   2HH1  ARG  13          1HH1      ARG  13  -5.619  -2.406   1.012
   90   1HH2  ARG  13          2HH2      ARG  13  -2.794  -2.901   3.049
   91   2HH2  ARG  13          1HH2      ARG  13  -3.732  -3.543   1.723
   92    H    VAL  14           H        VAL  14  -0.618   3.705   5.336
   93    HA   VAL  14           HA       VAL  14  -0.634   2.091   7.795
   94    HB   VAL  14           HB       VAL  14   1.814   2.330   6.081
   95   1HG1  VAL  14          1HG1      VAL  14   0.755   0.390   8.107
   96   2HG1  VAL  14          2HG1      VAL  14   2.093  -0.025   7.033
   97   3HG1  VAL  14          3HG1      VAL  14   2.244   1.334   8.148
   98   1HG2  VAL  14          1HG2      VAL  14  -0.647   0.929   5.335
   99   2HG2  VAL  14          2HG2      VAL  14   0.744   1.378   4.349
  100   3HG2  VAL  14          3HG2      VAL  14   0.791  -0.092   5.324
  101    H    CYS  15           H        CYS  15   1.265   4.549   6.029
  102    HA   CYS  15           HA       CYS  15   2.079   5.658   8.619
  103   1HB   CYS  15          2HB       CYS  15   4.118   6.307   7.660
  104   2HB   CYS  15          1HB       CYS  15   3.803   4.727   6.953
  105    H    LYS  16           H        LYS  16  -0.093   6.218   6.286
  106    HA   LYS  16           HA       LYS  16  -1.417   7.949   5.712
  107   1HB   LYS  16          2HB       LYS  16  -0.020   9.097   8.088
  108   2HB   LYS  16          1HB       LYS  16  -1.008  10.150   7.087
  109   1HG   LYS  16          2HG       LYS  16  -2.091   7.572   8.151
  110   2HG   LYS  16          1HG       LYS  16  -2.081   9.038   9.132
  111   1HD   LYS  16          2HD       LYS  16  -3.088   9.756   6.600
  112   2HD   LYS  16          1HD       LYS  16  -3.898   8.261   7.066
  113   1HE   LYS  16          2HE       LYS  16  -5.200   9.389   8.456
  114   2HE   LYS  16          1HE       LYS  16  -3.781   9.931   9.350
  115   1HZ   LYS  16          1HZ       LYS  16  -5.161  11.772   8.543
  116   2HZ   LYS  16          2HZ       LYS  16  -4.880  11.282   6.943
  117   3HZ   LYS  16          3HZ       LYS  16  -3.591  11.824   7.903
  118    H    ASP  17           H        ASP  17   1.601   7.723   4.793
  119    HA   ASP  17           HA       ASP  17   2.115  10.392   3.866
  120   1HB   ASP  17          2HB       ASP  17   3.867   8.567   4.334
  121   2HB   ASP  17          1HB       ASP  17   3.432   7.950   2.745
  122    H    GLY  18           H        GLY  18   1.725  11.282   1.897
  123   1HA   GLY  18          1HA       GLY  18   0.390   9.544  -0.086
  124   2HA   GLY  18          2HA       GLY  18  -0.199  11.162   0.283
  125    H    GLY  19           H        GLY  19   3.216  10.451   0.148
  126   1HA   GLY  19          1HA       GLY  19   3.504  12.400  -1.981
  127   2HA   GLY  19          2HA       GLY  19   4.803  11.631  -1.082
  128    H    GLU  20           H        GLU  20   5.722   9.757  -1.841
  129    HA   GLU  20           HA       GLU  20   4.833   8.913  -4.522
  130   1HB   GLU  20          2HB       GLU  20   7.602   8.574  -3.359
  131   2HB   GLU  20          1HB       GLU  20   7.099   8.280  -5.019
  132   1HG   GLU  20          2HG       GLU  20   7.771  10.329  -5.500
  133   2HG   GLU  20          1HG       GLU  20   6.431  10.937  -4.528
  134    H    LEU  21           H        LEU  21   3.771   7.054  -4.441
  135    HA   LEU  21           HA       LEU  21   4.749   4.949  -2.639
  136   1HB   LEU  21          2HB       LEU  21   1.809   5.408  -2.987
  137   2HB   LEU  21          1HB       LEU  21   2.644   4.531  -1.721
  138    HG   LEU  21           HG       LEU  21   3.416   7.300  -1.658
  139   1HD1  LEU  21          1HD1      LEU  21   1.125   7.466  -2.757
  140   2HD1  LEU  21          2HD1      LEU  21   0.479   6.884  -1.224
  141   3HD1  LEU  21          3HD1      LEU  21   1.382   8.397  -1.281
  142   1HD2  LEU  21          1HD2      LEU  21   2.674   5.152   0.096
  143   2HD2  LEU  21          2HD2      LEU  21   3.621   6.600   0.436
  144   3HD2  LEU  21          3HD2      LEU  21   1.863   6.642   0.574
  145    H    LEU  22           H        LEU  22   3.381   2.892  -3.095
  146    HA   LEU  22           HA       LEU  22   2.838   2.652  -5.967
  147   1HB   LEU  22          2HB       LEU  22   4.300   0.982  -6.269
  148   2HB   LEU  22          1HB       LEU  22   5.031   1.514  -4.770
  149    HG   LEU  22           HG       LEU  22   2.830  -0.408  -4.433
  150   1HD1  LEU  22          1HD1      LEU  22   4.963  -0.906  -6.339
  151   2HD1  LEU  22          2HD1      LEU  22   4.938  -2.086  -5.027
  152   3HD1  LEU  22          3HD1      LEU  22   3.498  -1.832  -6.012
  153   1HD2  LEU  22          1HD2      LEU  22   4.962  -1.419  -3.151
  154   2HD2  LEU  22          2HD2      LEU  22   5.448   0.274  -3.244
  155   3HD2  LEU  22          3HD2      LEU  22   3.927  -0.165  -2.469
  156    H    CYS  23           H        CYS  23   0.912   1.756  -6.401
  157    HA   CYS  23           HA       CYS  23  -0.780   1.296  -4.109
  158   1HB   CYS  23          2HB       CYS  23  -2.022   0.981  -6.732
  159   2HB   CYS  23          1HB       CYS  23  -2.432   2.072  -5.416
  160    HG   CYS  23           HG       CYS  23  -1.525   3.067  -8.176
  161    H    CYS  24           H        CYS  24  -2.520  -0.375  -4.287
  162    HA   CYS  24           HA       CYS  24  -1.337  -2.976  -4.512
  163   1HB   CYS  24          2HB       CYS  24  -3.016  -2.244  -2.765
  164   2HB   CYS  24          1HB       CYS  24  -4.240  -2.278  -4.026
  165    H    ASP  25           H        ASP  25  -3.023  -4.669  -5.490
  166    HA   ASP  25           HA       ASP  25  -3.556  -3.791  -8.256
  167   1HB   ASP  25          2HB       ASP  25  -1.772  -5.662  -7.699
  168   2HB   ASP  25          1HB       ASP  25  -3.198  -6.683  -7.590
  169    H    THR  26           H        THR  26  -4.906  -4.882  -5.364
  170    HA   THR  26           HA       THR  26  -7.336  -5.718  -6.799
  171    HB   THR  26           HB       THR  26  -7.631  -7.064  -4.510
  172    HG1  THR  26           1HG      THR  26  -5.784  -6.864  -3.443
  173   1HG2  THR  26          1HG2      THR  26  -5.872  -8.021  -6.769
  174   2HG2  THR  26          2HG2      THR  26  -7.634  -7.947  -6.841
  175   3HG2  THR  26          3HG2      THR  26  -6.844  -9.019  -5.686
  176    H    CYS  27           H        CYS  27  -6.035  -3.652  -4.373
  177    HA   CYS  27           HA       CYS  27  -8.756  -2.672  -3.925
  178   1HB   CYS  27          2HB       CYS  27  -8.373  -2.214  -1.606
  179   2HB   CYS  27          1HB       CYS  27  -7.969  -3.902  -1.886
  180    HA   PRO  28           HA       PRO  28  -6.980   1.155  -5.115
  181   1HB   PRO  28          2HB       PRO  28  -8.740   2.922  -4.124
  182   2HB   PRO  28          1HB       PRO  28  -9.193   1.779  -5.396
  183   1HG   PRO  28          2HG       PRO  28  -9.726   1.649  -2.455
  184   2HG   PRO  28          1HG       PRO  28 -10.803   1.262  -3.807
  185   1HD   PRO  28          2HD       PRO  28  -9.422  -0.614  -2.357
  186   2HD   PRO  28          1HD       PRO  28  -9.961  -0.851  -4.030
  187    H    SER  29           H        SER  29  -5.405   0.293  -3.109
  188    HA   SER  29           HA       SER  29  -5.120   2.648  -1.357
  189   1HB   SER  29          2HB       SER  29  -4.104  -0.032  -0.510
  190   2HB   SER  29          1HB       SER  29  -4.676   1.312   0.478
  191    HG   SER  29           HG       SER  29  -6.109  -0.720  -0.807
  192    H    SER  30           H        SER  30  -2.933   3.200  -0.745
  193    HA   SER  30           HA       SER  30  -0.911   2.116  -2.592
  194   1HB   SER  30          2HB       SER  30  -0.855   4.958  -1.595
  195   2HB   SER  30          1HB       SER  30  -0.021   4.260  -2.985
  196    HG   SER  30           HG       SER  30  -2.845   4.391  -2.814
  197    H    TYR  31           H        TYR  31   1.156   1.818  -1.809
  198    HA   TYR  31           HA       TYR  31   1.487   2.089   1.116
  199   1HB   TYR  31          2HB       TYR  31   1.743  -0.250  -0.688
  200   2HB   TYR  31          1HB       TYR  31   3.001  -0.074   0.526
  201    HD1  TYR  31           1HD      TYR  31  -0.702   0.472   0.620
  202    HD2  TYR  31           2HD      TYR  31   2.656  -1.592   2.208
  203    HE1  TYR  31           1HE      TYR  31  -2.167  -0.665   2.227
  204    HE2  TYR  31           2HE      TYR  31   1.205  -2.727   3.831
  205    HH   TYR  31           HH       TYR  31  -0.883  -2.632   4.823
  206    H    HIS  32           H        HIS  32   3.813   1.665   1.717
  207    HA   HIS  32           HA       HIS  32   5.713   2.793  -0.237
  208   1HB   HIS  32          2HB       HIS  32   5.658   2.829   2.770
  209   2HB   HIS  32          1HB       HIS  32   7.218   2.734   1.964
  210    HD2  HIS  32           2HD      HIS  32   7.623   4.987   0.101
  211    HE1  HIS  32           1HE      HIS  32   5.227   7.464   2.566
  212    HE2  HIS  32           2HE      HIS  32   6.772   7.407   0.548
  213    H    ILE  33           H        ILE  33   7.883   1.513  -0.103
  214    HA   ILE  33           HA       ILE  33   7.209  -1.297  -0.209
  215    HB   ILE  33           HB       ILE  33   9.441  -1.712  -0.964
  216   1HG1  ILE  33          2HG1      ILE  33  10.209   1.167  -0.573
  217   1HG2  ILE  33          1HG2      ILE  33   7.847   0.440  -2.136
  218   2HG2  ILE  33          2HG2      ILE  33   9.533   0.429  -2.654
  219   3HG2  ILE  33          3HG2      ILE  33   8.530  -1.005  -2.883
  220   1HD1  ILE  33          1HD1      ILE  33  12.057  -1.160  -0.400
  221   2HD1  ILE  33          2HD1      ILE  33  11.520  -0.585  -1.980
  222   3HD1  ILE  33          3HD1      ILE  33  12.378   0.504  -0.891
  223    H    HIS  34           H        HIS  34   8.114   0.825   2.190
  224    HA   HIS  34           HA       HIS  34   9.116  -1.356   3.896
  225   1HB   HIS  34          2HB       HIS  34  10.012   1.383   3.499
  226   2HB   HIS  34          1HB       HIS  34   9.677   1.046   5.193
  227    HD2  HIS  34           2HD      HIS  34  10.847  -1.978   5.365
  228    HE1  HIS  34           1HE      HIS  34  14.396  -0.195   3.911
  229    HE2  HIS  34           2HE      HIS  34  13.433  -2.139   5.228
  230    H    CYS  35           H        CYS  35   6.320  -0.086   3.205
  231    HA   CYS  35           HA       CYS  35   5.493   0.401   5.980
  232   1HB   CYS  35          2HB       CYS  35   4.530   1.462   3.356
  233   2HB   CYS  35          1HB       CYS  35   3.392   1.358   4.699
  234    H    LEU  36           H        LEU  36   5.852  -2.238   4.875
  235    HA   LEU  36           HA       LEU  36   3.165  -3.208   5.447
  236   1HB   LEU  36          2HB       LEU  36   3.426  -5.024   3.753
  237   2HB   LEU  36          1HB       LEU  36   3.194  -3.423   3.081
  238    HG   LEU  36           HG       LEU  36   6.009  -4.235   3.381
  239   1HD1  LEU  36          1HD1      LEU  36   4.418  -6.244   2.549
  240   2HD1  LEU  36          2HD1      LEU  36   4.711  -5.419   1.019
  241   3HD1  LEU  36          3HD1      LEU  36   6.070  -5.999   1.981
  242   1HD2  LEU  36          1HD2      LEU  36   5.490  -2.184   2.280
  243   2HD2  LEU  36          2HD2      LEU  36   6.046  -3.320   1.050
  244   3HD2  LEU  36          3HD2      LEU  36   4.324  -2.981   1.223
  245    H    ARG  37           H        ARG  37   3.141  -5.384   6.295
  246    HA   ARG  37           HA       ARG  37   5.031  -5.781   8.270
  247   1HB   ARG  37          2HB       ARG  37   2.631  -6.924   7.623
  248   2HB   ARG  37          1HB       ARG  37   3.745  -8.262   7.380
  249   1HG   ARG  37          2HG       ARG  37   3.926  -6.664   9.883
  250   2HG   ARG  37          1HG       ARG  37   2.627  -7.845   9.703
  251   1HD   ARG  37          2HD       ARG  37   5.586  -8.387   9.471
  252   2HD   ARG  37          1HD       ARG  37   4.541  -8.842  10.816
  253    HE   ARG  37           HE       ARG  37   3.308 -10.103   8.851
  254   1HH1  ARG  37          2HH1      ARG  37   6.756  -9.794   9.406
  255   2HH1  ARG  37          1HH1      ARG  37   7.126 -11.384   8.796
  256   1HH2  ARG  37          2HH2      ARG  37   3.784 -12.186   8.038
  257   2HH2  ARG  37          1HH2      ARG  37   5.433 -12.746   8.022
  258    HA   PRO  38           HA       PRO  38   7.508  -8.868   5.657
  259   1HB   PRO  38          2HB       PRO  38   6.670  -9.740   3.278
  260   2HB   PRO  38          1HB       PRO  38   6.026 -10.419   4.776
  261   1HG   PRO  38          2HG       PRO  38   4.782  -8.504   2.873
  262   2HG   PRO  38          1HG       PRO  38   4.023  -9.765   3.856
  263   1HD   PRO  38          2HD       PRO  38   4.135  -7.013   4.446
  264   2HD   PRO  38          1HD       PRO  38   3.640  -8.313   5.548
  265    H    ALA  39           H        ALA  39   8.091  -6.396   5.629
  266    HA   ALA  39           HA       ALA  39   7.989  -4.723   3.519
  267   1HB   ALA  39          1HB       ALA  39   8.943  -4.010   5.585
  268   2HB   ALA  39          2HB       ALA  39  10.296  -5.128   5.411
  269   3HB   ALA  39          3HB       ALA  39  10.143  -3.752   4.318
  270    H    LEU  40           H        LEU  40   8.952  -4.390   1.604
  271    HA   LEU  40           HA       LEU  40  10.327  -6.634   0.424
  272   1HB   LEU  40          2HB       LEU  40   9.641  -3.949  -0.777
  273   2HB   LEU  40          1HB       LEU  40  10.159  -5.373  -1.658
  274    HG   LEU  40           HG       LEU  40   7.815  -5.933  -0.051
  275   1HD1  LEU  40          1HD1      LEU  40   6.250  -4.577  -1.393
  276   2HD1  LEU  40          2HD1      LEU  40   7.288  -3.598  -0.354
  277   3HD1  LEU  40          3HD1      LEU  40   7.625  -3.713  -2.082
  278   1HD2  LEU  40          1HD2      LEU  40   8.895  -6.413  -2.724
  279   2HD2  LEU  40          2HD2      LEU  40   7.928  -7.458  -1.681
  280   3HD2  LEU  40          3HD2      LEU  40   7.142  -6.235  -2.677
  281    H    TYR  41           H        TYR  41  12.353  -6.425  -0.736
  282    HA   TYR  41           HA       TYR  41  14.192  -4.645   0.695
  283   1HB   TYR  41          2HB       TYR  41  14.644  -7.143  -0.948
  284   2HB   TYR  41          1HB       TYR  41  15.958  -6.138  -0.339
  285    HD1  TYR  41           1HD      TYR  41  16.026  -5.729   2.208
  286    HD2  TYR  41           2HD      TYR  41  13.769  -8.845   0.394
  287    HE1  TYR  41           1HE      TYR  41  15.955  -6.920   4.356
  288    HE2  TYR  41           2HE      TYR  41  13.700 -10.048   2.536
  289    HH   TYR  41           HH       TYR  41  14.744 -10.181   4.618
  290    H    GLU  42           H        GLU  42  12.494  -4.852  -2.137
  291    HA   GLU  42           HA       GLU  42  13.995  -2.647  -3.258
  292   1HB   GLU  42          2HB       GLU  42  13.850  -3.663  -5.567
  293   2HB   GLU  42          1HB       GLU  42  15.029  -4.398  -4.491
  294   1HG   GLU  42          2HG       GLU  42  14.001  -6.380  -4.516
  295   2HG   GLU  42          1HG       GLU  42  12.393  -5.660  -4.418
  296    H    VAL  43           H        VAL  43  12.721  -1.783  -5.230
  297    HA   VAL  43           HA       VAL  43   9.944  -1.562  -4.384
  298    HB   VAL  43           HB       VAL  43  11.351  -0.145  -6.655
  299   1HG1  VAL  43          1HG1      VAL  43   9.511   1.386  -6.635
  300   2HG1  VAL  43          2HG1      VAL  43   8.867  -0.250  -6.778
  301   3HG1  VAL  43          3HG1      VAL  43   8.802   0.593  -5.229
  302   1HG2  VAL  43          1HG2      VAL  43  11.701   1.703  -5.197
  303   2HG2  VAL  43          2HG2      VAL  43  10.775   0.940  -3.906
  304   3HG2  VAL  43          3HG2      VAL  43  12.335   0.272  -4.385
  305    HA   PRO  44           HA       PRO  44   8.761  -4.842  -7.167
  306   1HB   PRO  44          2HB       PRO  44   6.077  -3.642  -6.718
  307   2HB   PRO  44          1HB       PRO  44   6.610  -5.316  -6.526
  308   1HG   PRO  44          2HG       PRO  44   6.177  -3.774  -4.400
  309   2HG   PRO  44          1HG       PRO  44   7.531  -4.917  -4.436
  310   1HD   PRO  44          2HD       PRO  44   7.542  -1.954  -4.806
  311   2HD   PRO  44          1HD       PRO  44   8.713  -2.988  -3.962
  312    H    ASP  45           H        ASP  45   9.452  -4.302  -9.164
  313    HA   ASP  45           HA       ASP  45   8.321  -2.069 -10.619
  314   1HB   ASP  45          2HB       ASP  45  10.759  -3.082 -10.739
  315   2HB   ASP  45          1HB       ASP  45  10.026  -4.160 -11.923
  316    H    GLY  46           H        GLY  46   6.133  -2.670 -10.711
  317   1HA   GLY  46          1HA       GLY  46   4.924  -3.566 -12.837
  318   2HA   GLY  46          2HA       GLY  46   5.502  -5.105 -12.214
  319    H    GLU  47           H        GLU  47   3.521  -5.981 -11.789
  320    HA   GLU  47           HA       GLU  47   1.522  -4.539 -10.302
  321   1HB   GLU  47          2HB       GLU  47   1.366  -7.494 -10.580
  322   2HB   GLU  47          1HB       GLU  47   0.113  -6.281 -10.800
  323   1HG   GLU  47          2HG       GLU  47   0.355  -6.872 -12.956
  324   2HG   GLU  47          1HG       GLU  47   1.662  -5.687 -12.897
  325    H    TRP  48           H        TRP  48   1.267  -4.499  -8.166
  326    HA   TRP  48           HA       TRP  48   2.487  -6.622  -6.541
  327   1HB   TRP  48          2HB       TRP  48   3.954  -4.655  -6.429
  328   2HB   TRP  48          1HB       TRP  48   2.588  -3.652  -5.961
  329    HD1  TRP  48           HD       TRP  48   4.691  -6.589  -4.574
  330    HE1  TRP  48           1HE      TRP  48   4.634  -6.462  -2.002
  331    HE3  TRP  48           3HE      TRP  48   1.403  -2.712  -4.037
  332    HZ2  TRP  48           2HZ      TRP  48   3.356  -4.916  -0.018
  333    HZ3  TRP  48           3HZ      TRP  48   0.813  -1.974  -1.769
  334    HH2  TRP  48           HH       TRP  48   1.770  -3.054   0.200
  335    H    GLN  49           H        GLN  49   1.350  -7.088  -4.617
  336    HA   GLN  49           HA       GLN  49  -1.319  -5.867  -4.417
  337   1HB   GLN  49          2HB       GLN  49  -1.570  -8.045  -5.434
  338   2HB   GLN  49          1HB       GLN  49  -0.569  -8.786  -4.198
  339   1HG   GLN  49          2HG       GLN  49  -2.258  -8.358  -2.524
  340   2HG   GLN  49          1HG       GLN  49  -3.248  -7.511  -3.712
  341   1HE2  GLN  49          1HE2      GLN  49  -4.717  -8.635  -4.754
  342   2HE2  GLN  49          2HE2      GLN  49  -4.767 -10.369  -4.907
  343    H    CYS  50           H        CYS  50  -1.949  -5.285  -2.412
  344    HA   CYS  50           HA       CYS  50   0.000  -5.127  -0.375
  345   1HB   CYS  50          2HB       CYS  50  -1.554  -3.856   0.815
  346   2HB   CYS  50          1HB       CYS  50  -2.036  -3.587  -0.855
  347    HA   PRO  51           HA       PRO  51  -0.730  -8.854   1.875
  348   1HB   PRO  51          2HB       PRO  51   0.118  -7.640   4.351
  349   2HB   PRO  51          1HB       PRO  51   1.034  -8.705   3.284
  350   1HG   PRO  51          2HG       PRO  51   1.623  -6.060   3.681
  351   2HG   PRO  51          1HG       PRO  51   2.054  -6.961   2.217
  352   1HD   PRO  51          2HD       PRO  51  -0.235  -5.083   2.684
  353   2HD   PRO  51          1HD       PRO  51   0.810  -5.257   1.256
  354    H    ARG  52           H        ARG  52  -2.740  -6.343   2.057
  355    HA   ARG  52           HA       ARG  52  -4.217  -7.455   4.351
  356   1HB   ARG  52          2HB       ARG  52  -3.800  -4.673   3.438
  357   2HB   ARG  52          1HB       ARG  52  -5.409  -5.067   4.027
  358   1HG   ARG  52          2HG       ARG  52  -2.826  -5.408   5.535
  359   2HG   ARG  52          1HG       ARG  52  -4.044  -4.163   5.810
  360   1HD   ARG  52          2HD       ARG  52  -5.577  -5.680   6.680
  361   2HD   ARG  52          1HD       ARG  52  -4.768  -7.064   5.947
  362    HE   ARG  52           HE       ARG  52  -3.697  -5.546   8.244
  363   1HH1  ARG  52          2HH1      ARG  52  -4.245  -8.548   6.522
  364   2HH1  ARG  52          1HH1      ARG  52  -3.350  -9.514   7.654
  365   1HH2  ARG  52          2HH2      ARG  52  -2.541  -6.815   9.757
  366   2HH2  ARG  52          1HH2      ARG  52  -2.394  -8.530   9.514
  367    H    CYS  53           H        CYS  53  -4.121  -7.611   1.139
  368    HA   CYS  53           HA       CYS  53  -6.995  -7.460   0.671
  369   1HB   CYS  53          2HB       CYS  53  -4.585  -7.594  -1.007
  370   2HB   CYS  53          1HB       CYS  53  -5.914  -8.588  -1.589
  371    H    THR  54           H        THR  54  -5.159  -9.477   2.264
  372    HA   THR  54           HA       THR  54  -5.594 -12.026   1.139
  373    HB   THR  54           HB       THR  54  -5.409 -12.223   3.974
  374    HG1  THR  54           1HG      THR  54  -3.298 -10.609   3.082
  375   1HG2  THR  54          1HG2      THR  54  -2.900 -12.433   2.514
  376   2HG2  THR  54          2HG2      THR  54  -4.216 -13.305   1.731
  377   3HG2  THR  54          3HG2      THR  54  -3.793 -13.667   3.405
  378    H    CYS  55           H        CYS  55  -7.739 -12.310   0.598
  379    HA   CYS  55           HA       CYS  55  -9.883 -11.765   2.388
  380   1HB   CYS  55          2HB       CYS  55 -10.153 -13.726   0.143
  381   2HB   CYS  55          1HB       CYS  55 -11.282 -12.489   0.682
  382    HG   CYS  55           HG       CYS  55  -8.763 -10.789  -0.313
  383    HA   PRO  56           HA       PRO  56  -9.601 -15.364   4.931
  384   1HB   PRO  56          2HB       PRO  56 -12.191 -15.406   5.836
  385   2HB   PRO  56          1HB       PRO  56 -10.934 -14.342   6.475
  386   1HG   PRO  56          2HG       PRO  56 -13.102 -13.749   4.508
  387   2HG   PRO  56          1HG       PRO  56 -12.465 -12.740   5.819
  388   1HD   PRO  56          2HD       PRO  56 -11.786 -12.354   3.229
  389   2HD   PRO  56          1HD       PRO  56 -10.666 -12.028   4.569
  390    H    ALA  57           H        ALA  57 -11.841 -15.047   2.333
  391    HA   ALA  57           HA       ALA  57 -12.471 -17.906   2.341
  392   1HB   ALA  57          1HB       ALA  57 -14.388 -17.299   1.390
  393   2HB   ALA  57          2HB       ALA  57 -13.890 -15.612   1.508
  394   3HB   ALA  57          3HB       ALA  57 -13.520 -16.542   0.056
  395    H    LEU  58           H        LEU  58 -11.896 -19.242   0.587
  396    HA   LEU  58           HA       LEU  58  -9.370 -18.545  -0.605
  397   1HB   LEU  58          2HB       LEU  58 -10.992 -20.963  -0.258
  398   2HB   LEU  58          1HB       LEU  58 -10.150 -20.898  -1.795
  399    HG   LEU  58           HG       LEU  58  -8.062 -20.339  -0.319
  400   1HD1  LEU  58          1HD1      LEU  58  -8.094 -20.893   1.892
  401   2HD1  LEU  58          2HD1      LEU  58  -9.748 -20.302   1.712
  402   3HD1  LEU  58          3HD1      LEU  58  -9.423 -22.038   1.706
  403   1HD2  LEU  58          1HD2      LEU  58  -7.934 -22.941   0.128
  404   2HD2  LEU  58          2HD2      LEU  58  -9.366 -22.947  -0.901
  405   3HD2  LEU  58          3HD2      LEU  58  -7.849 -22.280  -1.504
  406    H    LYS  59           H        LYS  59  -9.415 -17.118  -2.231
  407    HA   LYS  59           HA       LYS  59 -11.520 -17.351  -4.264
  408   1HB   LYS  59          2HB       LYS  59 -10.174 -15.146  -3.037
  409   2HB   LYS  59          1HB       LYS  59  -9.828 -15.117  -4.762
  410   1HG   LYS  59          2HG       LYS  59 -12.639 -15.480  -3.820
  411   2HG   LYS  59          1HG       LYS  59 -11.908 -13.874  -3.821
  412   1HD   LYS  59          2HD       LYS  59 -11.810 -13.771  -6.102
  413   2HD   LYS  59          1HD       LYS  59 -11.638 -15.519  -6.282
  414   1HE   LYS  59          2HE       LYS  59 -13.987 -15.824  -5.754
  415   2HE   LYS  59          1HE       LYS  59 -14.176 -14.090  -5.486
  416   1HZ   LYS  59          1HZ       LYS  59 -14.453 -15.491  -7.874
  417   2HZ   LYS  59          2HZ       LYS  59 -13.060 -14.534  -8.039
  418   3HZ   LYS  59          3HZ       LYS  59 -14.542 -13.815  -7.634
  419    H    GLY  60           H        GLY  60  -8.008 -17.265  -3.870
  420   1HA   GLY  60          1HA       GLY  60  -7.445 -19.095  -5.869
  421   2HA   GLY  60          2HA       GLY  60  -7.397 -17.516  -6.642
  422    H    LYS  61           H        LYS  61  -6.262 -15.894  -4.891
  423    HA   LYS  61           HA       LYS  61  -3.712 -17.175  -4.168
  424   1HB   LYS  61          2HB       LYS  61  -4.256 -14.692  -5.690
  425   2HB   LYS  61          1HB       LYS  61  -2.955 -14.614  -4.508
  426   1HG   LYS  61          2HG       LYS  61  -1.679 -16.198  -5.622
  427   2HG   LYS  61          1HG       LYS  61  -3.065 -16.835  -6.508
  428   1HD   LYS  61          2HD       LYS  61  -3.149 -14.924  -7.919
  429   2HD   LYS  61          1HD       LYS  61  -1.998 -14.050  -6.905
  430   1HE   LYS  61          2HE       LYS  61  -0.212 -15.084  -7.815
  431   2HE   LYS  61          1HE       LYS  61  -1.050 -16.628  -7.959
  432   1HZ   LYS  61          1HZ       LYS  61  -0.632 -15.868 -10.134
  433   2HZ   LYS  61          2HZ       LYS  61  -1.196 -14.305  -9.792
  434   3HZ   LYS  61          3HZ       LYS  61  -2.287 -15.604  -9.866
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -8.298  11.182 -13.094
    2   2H    GLY   1          2H        GLY   1  -8.368  12.226 -14.431
    3   3H    GLY   1          3H        GLY   1  -7.007  11.248 -14.191
    4   1HA   GLY   1          2HA       GLY   1  -8.421  10.368 -15.943
    5   2HA   GLY   1          1HA       GLY   1  -8.283   9.266 -14.579
    6    HA   PRO   2           HA       PRO   2 -12.737  11.183 -14.852
    7   1HB   PRO   2          2HB       PRO   2 -13.661  11.239 -17.392
    8   2HB   PRO   2          1HB       PRO   2 -12.824  12.608 -16.653
    9   1HG   PRO   2          2HG       PRO   2 -11.772  10.534 -18.535
   10   2HG   PRO   2          1HG       PRO   2 -11.477  12.282 -18.515
   11   1HD   PRO   2          2HD       PRO   2  -9.718  10.451 -17.520
   12   2HD   PRO   2          1HD       PRO   2  -9.845  12.113 -16.910
   13    H    LEU   3           H        LEU   3 -12.558   8.947 -13.968
   14    HA   LEU   3           HA       LEU   3 -13.773   6.956 -15.767
   15   1HB   LEU   3          2HB       LEU   3 -11.641   6.821 -13.727
   16   2HB   LEU   3          1HB       LEU   3 -12.774   5.483 -13.722
   17    HG   LEU   3           HG       LEU   3 -12.269   5.211 -16.194
   18   1HD1  LEU   3          1HD1      LEU   3  -9.649   6.268 -16.146
   19   2HD1  LEU   3          2HD1      LEU   3 -10.987   6.704 -17.209
   20   3HD1  LEU   3          3HD1      LEU   3 -10.752   7.565 -15.687
   21   1HD2  LEU   3          1HD2      LEU   3 -10.184   3.992 -15.757
   22   2HD2  LEU   3          2HD2      LEU   3 -10.059   4.789 -14.190
   23   3HD2  LEU   3          3HD2      LEU   3 -11.401   3.693 -14.515
   24    H    GLY   4           H        GLY   4 -15.321   8.885 -14.366
   25   1HA   GLY   4          1HA       GLY   4 -17.358   8.824 -13.251
   26   2HA   GLY   4          2HA       GLY   4 -17.091   7.117 -12.914
   27    H    SER   5           H        SER   5 -16.631   6.581 -10.889
   28    HA   SER   5           HA       SER   5 -15.774   8.699  -9.046
   29   1HB   SER   5          2HB       SER   5 -16.348   6.050  -7.903
   30   2HB   SER   5          1HB       SER   5 -16.916   7.644  -7.400
   31    HG   SER   5           HG       SER   5 -18.311   7.476  -9.377
   32    H    ASP   6           H        ASP   6 -15.187   5.218  -9.428
   33    HA   ASP   6           HA       ASP   6 -13.344   3.929  -9.085
   34   1HB   ASP   6          2HB       ASP   6 -12.933   5.050 -11.321
   35   2HB   ASP   6          1HB       ASP   6 -11.867   6.167 -10.474
   36    H    HIS   7           H        HIS   7 -11.001   6.384  -9.130
   37    HA   HIS   7           HA       HIS   7  -9.602   7.286  -7.622
   38   1HB   HIS   7          2HB       HIS   7 -12.131   7.798  -6.670
   39   2HB   HIS   7          1HB       HIS   7 -11.332   7.078  -5.274
   40    HD2  HIS   7           2HD      HIS   7  -8.451   8.404  -5.380
   41    HE1  HIS   7           1HE      HIS   7 -10.516  12.077  -5.701
   42    HE2  HIS   7           2HE      HIS   7  -8.378  10.953  -4.931
   43    H    HIS   8           H        HIS   8  -8.515   6.965  -5.474
   44    HA   HIS   8           HA       HIS   8  -8.628   4.329  -4.344
   45   1HB   HIS   8          2HB       HIS   8  -6.413   3.628  -4.921
   46   2HB   HIS   8          1HB       HIS   8  -7.214   4.075  -6.420
   47    HD2  HIS   8           2HD      HIS   8  -4.092   4.907  -4.392
   48    HE1  HIS   8           1HE      HIS   8  -4.337   7.687  -7.574
   49    HE2  HIS   8           2HE      HIS   8  -2.951   6.906  -5.600
   50    H    MET   9           H        MET   9  -6.708   4.157  -2.700
   51    HA   MET   9           HA       MET   9  -6.887   6.493  -1.012
   52   1HB   MET   9          2HB       MET   9  -6.846   3.926  -0.390
   53   2HB   MET   9          1HB       MET   9  -5.106   4.162  -0.421
   54   1HG   MET   9          2HG       MET   9  -5.389   5.997   1.233
   55   2HG   MET   9          1HG       MET   9  -7.099   5.580   1.329
   56   1HE   MET   9          1HE       MET   9  -7.413   3.144   3.862
   57   2HE   MET   9          2HE       MET   9  -6.873   4.767   4.289
   58   3HE   MET   9          3HE       MET   9  -7.969   4.533   2.927
   59    H    GLU  10           H        GLU  10  -5.693   8.161  -1.813
   60    HA   GLU  10           HA       GLU  10  -3.114   7.729  -3.005
   61   1HB   GLU  10          2HB       GLU  10  -4.041  10.458  -2.224
   62   2HB   GLU  10          1HB       GLU  10  -3.189   9.936  -3.670
   63   1HG   GLU  10          2HG       GLU  10  -5.180  10.258  -4.641
   64   2HG   GLU  10          1HG       GLU  10  -5.525   8.647  -4.015
   65    H    PHE  11           H        PHE  11  -3.101   6.773  -0.406
   66    HA   PHE  11           HA       PHE  11  -0.752   7.971   0.562
   67   1HB   PHE  11          2HB       PHE  11  -1.503   8.797   2.730
   68   2HB   PHE  11          1HB       PHE  11  -2.305   9.673   1.432
   69    HD1  PHE  11           1HD      PHE  11  -4.696   9.199   0.931
   70    HD2  PHE  11           2HD      PHE  11  -2.710   7.546   4.308
   71    HE1  PHE  11           1HE      PHE  11  -6.876   8.705   1.961
   72    HE2  PHE  11           2HE      PHE  11  -4.888   7.031   5.341
   73    HZ   PHE  11           HZ       PHE  11  -6.975   7.614   4.168
   74    H    CYS  12           H        CYS  12   0.184   6.792   2.293
   75    HA   CYS  12           HA       CYS  12  -0.246   4.038   2.178
   76   1HB   CYS  12          2HB       CYS  12   1.171   5.663   4.300
   77   2HB   CYS  12          1HB       CYS  12   1.268   3.915   4.149
   78    HG   CYS  12           HG       CYS  12   3.240   6.080   2.867
   79    H    ARG  13           H        ARG  13  -1.156   2.560   3.584
   80    HA   ARG  13           HA       ARG  13  -3.371   3.460   5.176
   81   1HB   ARG  13          2HB       ARG  13  -2.194   0.833   4.439
   82   2HB   ARG  13          1HB       ARG  13  -3.147   0.893   5.915
   83   1HG   ARG  13          2HG       ARG  13  -4.965   1.980   4.530
   84   2HG   ARG  13          1HG       ARG  13  -4.023   1.507   3.116
   85   1HD   ARG  13          2HD       ARG  13  -4.055  -0.845   4.287
   86   2HD   ARG  13          1HD       ARG  13  -5.485  -0.192   5.084
   87    HE   ARG  13           HE       ARG  13  -5.192  -0.872   2.278
   88   1HH1  ARG  13          2HH1      ARG  13  -7.160   0.566   4.793
   89   2HH1  ARG  13          1HH1      ARG  13  -8.578   0.699   3.792
   90   1HH2  ARG  13          2HH2      ARG  13  -7.043  -0.719   0.955
   91   2HH2  ARG  13          1HH2      ARG  13  -8.512  -0.034   1.599
   92    H    VAL  14           H        VAL  14  -0.039   3.011   5.726
   93    HA   VAL  14           HA       VAL  14  -0.434   3.010   8.648
   94    HB   VAL  14           HB       VAL  14   2.202   2.482   7.290
   95   1HG1  VAL  14          1HG1      VAL  14   1.213   1.434   9.919
   96   2HG1  VAL  14          2HG1      VAL  14   2.873   1.588   9.344
   97   3HG1  VAL  14          3HG1      VAL  14   1.950   3.029   9.774
   98   1HG2  VAL  14          1HG2      VAL  14   0.707   0.843   6.355
   99   2HG2  VAL  14          2HG2      VAL  14   1.725   0.059   7.564
  100   3HG2  VAL  14          3HG2      VAL  14   0.055   0.469   7.951
  101    H    CYS  15           H        CYS  15   2.215   4.097   6.576
  102    HA   CYS  15           HA       CYS  15   2.636   6.442   8.116
  103   1HB   CYS  15          2HB       CYS  15   4.239   6.561   5.844
  104   2HB   CYS  15          1HB       CYS  15   4.673   5.933   7.432
  105    H    LYS  16           H        LYS  16   0.193   6.100   6.284
  106    HA   LYS  16           HA       LYS  16  -1.188   7.482   5.032
  107   1HB   LYS  16          2HB       LYS  16  -0.356   8.504   7.596
  108   2HB   LYS  16          1HB       LYS  16  -0.818   9.822   6.527
  109   1HG   LYS  16          2HG       LYS  16  -2.952   8.606   6.088
  110   2HG   LYS  16          1HG       LYS  16  -2.487   7.464   7.352
  111   1HD   LYS  16          2HD       LYS  16  -2.931   8.923   9.008
  112   2HD   LYS  16          1HD       LYS  16  -2.305  10.300   8.098
  113   1HE   LYS  16          2HE       LYS  16  -4.813   9.081   7.120
  114   2HE   LYS  16          1HE       LYS  16  -4.902   9.963   8.645
  115   1HZ   LYS  16          1HZ       LYS  16  -3.525  11.689   7.170
  116   2HZ   LYS  16          2HZ       LYS  16  -5.218  11.693   7.264
  117   3HZ   LYS  16          3HZ       LYS  16  -4.442  10.952   5.949
  118    H    ASP  17           H        ASP  17   1.483   7.592   3.811
  119    HA   ASP  17           HA       ASP  17   1.522  10.412   2.988
  120   1HB   ASP  17          2HB       ASP  17   3.897  10.136   2.541
  121   2HB   ASP  17          1HB       ASP  17   3.545   9.643   4.192
  122    H    GLY  18           H        GLY  18   2.328  10.834   0.804
  123   1HA   GLY  18          1HA       GLY  18   1.580   8.691  -1.092
  124   2HA   GLY  18          2HA       GLY  18   1.101  10.370  -1.334
  125    H    GLY  19           H        GLY  19   2.219  10.054  -3.427
  126   1HA   GLY  19          1HA       GLY  19   4.128  11.271  -4.376
  127   2HA   GLY  19          2HA       GLY  19   5.117  10.571  -3.102
  128    H    GLU  20           H        GLU  20   6.203   8.767  -3.537
  129    HA   GLU  20           HA       GLU  20   5.747   7.401  -6.072
  130   1HB   GLU  20          2HB       GLU  20   8.068   7.908  -5.199
  131   2HB   GLU  20          1HB       GLU  20   7.773   6.728  -3.929
  132   1HG   GLU  20          2HG       GLU  20   8.838   5.390  -5.407
  133   2HG   GLU  20          1HG       GLU  20   7.193   5.194  -6.007
  134    H    LEU  21           H        LEU  21   3.563   6.896  -5.192
  135    HA   LEU  21           HA       LEU  21   3.495   4.914  -3.091
  136   1HB   LEU  21          2HB       LEU  21   1.813   6.975  -3.949
  137   2HB   LEU  21          1HB       LEU  21   0.943   5.499  -4.315
  138    HG   LEU  21           HG       LEU  21   0.820   4.862  -2.065
  139   1HD1  LEU  21          1HD1      LEU  21   2.523   5.109  -0.669
  140   2HD1  LEU  21          2HD1      LEU  21   3.344   6.133  -1.848
  141   3HD1  LEU  21          3HD1      LEU  21   2.270   6.854  -0.648
  142   1HD2  LEU  21          1HD2      LEU  21   0.599   7.638  -1.298
  143   2HD2  LEU  21          2HD2      LEU  21  -0.116   7.340  -2.883
  144   3HD2  LEU  21          3HD2      LEU  21  -0.658   6.414  -1.484
  145    H    LEU  22           H        LEU  22   3.275   2.827  -3.351
  146    HA   LEU  22           HA       LEU  22   2.686   1.759  -6.019
  147   1HB   LEU  22          2HB       LEU  22   4.123   0.756  -3.617
  148   2HB   LEU  22          1HB       LEU  22   3.273  -0.430  -4.588
  149    HG   LEU  22           HG       LEU  22   4.658   0.938  -6.501
  150   1HD1  LEU  22          1HD1      LEU  22   6.981   1.077  -5.616
  151   2HD1  LEU  22          2HD1      LEU  22   5.881   2.285  -4.951
  152   3HD1  LEU  22          3HD1      LEU  22   6.320   0.872  -3.992
  153   1HD2  LEU  22          1HD2      LEU  22   6.129  -0.997  -6.541
  154   2HD2  LEU  22          2HD2      LEU  22   5.601  -1.451  -4.921
  155   3HD2  LEU  22          3HD2      LEU  22   4.459  -1.489  -6.264
  156    H    CYS  23           H        CYS  23   0.640   1.260  -6.394
  157    HA   CYS  23           HA       CYS  23  -1.146   0.820  -4.118
  158   1HB   CYS  23          2HB       CYS  23  -1.978   1.171  -6.991
  159   2HB   CYS  23          1HB       CYS  23  -2.932   1.452  -5.539
  160    HG   CYS  23           HG       CYS  23  -1.873   3.820  -4.866
  161    H    CYS  24           H        CYS  24  -2.720  -0.855  -4.150
  162    HA   CYS  24           HA       CYS  24  -1.799  -3.393  -4.821
  163   1HB   CYS  24          2HB       CYS  24  -3.543  -2.789  -3.125
  164   2HB   CYS  24          1HB       CYS  24  -4.671  -2.547  -4.450
  165    H    ASP  25           H        ASP  25  -3.374  -4.902  -6.023
  166    HA   ASP  25           HA       ASP  25  -3.908  -3.823  -8.715
  167   1HB   ASP  25          2HB       ASP  25  -2.198  -5.827  -8.230
  168   2HB   ASP  25          1HB       ASP  25  -3.687  -6.761  -8.257
  169    H    THR  26           H        THR  26  -5.249  -4.745  -5.857
  170    HA   THR  26           HA       THR  26  -7.791  -5.443  -7.165
  171    HB   THR  26           HB       THR  26  -8.174  -6.838  -4.965
  172    HG1  THR  26           1HG      THR  26  -5.518  -6.238  -4.831
  173   1HG2  THR  26          1HG2      THR  26  -6.361  -7.955  -7.099
  174   2HG2  THR  26          2HG2      THR  26  -8.080  -7.640  -7.356
  175   3HG2  THR  26          3HG2      THR  26  -7.572  -8.816  -6.143
  176    H    CYS  27           H        CYS  27  -6.345  -4.415  -4.060
  177    HA   CYS  27           HA       CYS  27  -8.777  -2.950  -3.394
  178   1HB   CYS  27          2HB       CYS  27  -6.364  -2.626  -1.708
  179   2HB   CYS  27          1HB       CYS  27  -8.034  -2.915  -1.236
  180    HA   PRO  28           HA       PRO  28  -7.076   0.878  -4.804
  181   1HB   PRO  28          2HB       PRO  28  -8.443   2.677  -3.388
  182   2HB   PRO  28          1HB       PRO  28  -9.264   1.574  -4.498
  183   1HG   PRO  28          2HG       PRO  28  -9.062   1.464  -1.523
  184   2HG   PRO  28          1HG       PRO  28 -10.433   1.069  -2.573
  185   1HD   PRO  28          2HD       PRO  28  -8.666  -0.770  -1.454
  186   2HD   PRO  28          1HD       PRO  28  -9.742  -1.079  -2.830
  187    H    SER  29           H        SER  29  -6.008  -0.330  -2.001
  188    HA   SER  29           HA       SER  29  -5.003   1.969  -0.657
  189   1HB   SER  29          2HB       SER  29  -3.515  -0.403  -0.022
  190   2HB   SER  29          1HB       SER  29  -4.696   0.462   0.964
  191    HG   SER  29           HG       SER  29  -4.973  -1.836  -0.531
  192    H    SER  30           H        SER  30  -2.847   2.652  -0.440
  193    HA   SER  30           HA       SER  30  -0.926   1.631  -2.389
  194   1HB   SER  30          2HB       SER  30  -1.084   4.585  -1.958
  195   2HB   SER  30          1HB       SER  30  -0.452   3.691  -3.338
  196    HG   SER  30           HG       SER  30  -3.066   4.442  -2.729
  197    H    TYR  31           H        TYR  31   1.254   1.917  -1.807
  198    HA   TYR  31           HA       TYR  31   1.762   2.837   0.947
  199   1HB   TYR  31          2HB       TYR  31   2.485   0.140  -0.215
  200   2HB   TYR  31          1HB       TYR  31   3.083   0.747   1.320
  201    HD1  TYR  31           1HD      TYR  31   0.221  -0.670  -0.448
  202    HD2  TYR  31           2HD      TYR  31   1.609   0.879   3.265
  203    HE1  TYR  31           1HE      TYR  31  -1.703  -1.687   0.691
  204    HE2  TYR  31           2HE      TYR  31  -0.324  -0.121   4.408
  205    HH   TYR  31           HH       TYR  31  -2.771  -1.990   2.620
  206    H    HIS  32           H        HIS  32   4.224   2.224   1.353
  207    HA   HIS  32           HA       HIS  32   5.955   3.579  -0.576
  208   1HB   HIS  32          2HB       HIS  32   6.262   2.383   2.177
  209   2HB   HIS  32          1HB       HIS  32   7.685   2.568   1.181
  210    HD2  HIS  32           2HD      HIS  32   8.715   5.103   0.985
  211    HE1  HIS  32           1HE      HIS  32   6.138   6.721   3.931
  212    HE2  HIS  32           2HE      HIS  32   8.134   7.178   2.422
  213    H    ILE  33           H        ILE  33   7.970   1.441   0.479
  214    HA   ILE  33           HA       ILE  33   6.982  -0.882  -1.003
  215    HB   ILE  33           HB       ILE  33   9.203  -1.486  -1.726
  216   1HG1  ILE  33          2HG1      ILE  33  10.402   1.096  -0.828
  217   1HG2  ILE  33          1HG2      ILE  33   9.467   0.036  -3.461
  218   2HG2  ILE  33          2HG2      ILE  33   7.784   0.259  -2.983
  219   3HG2  ILE  33          3HG2      ILE  33   9.009   1.411  -2.455
  220   1HD1  ILE  33          1HD1      ILE  33  11.411  -1.675  -1.353
  221   2HD1  ILE  33          2HD1      ILE  33  11.883  -0.159  -2.120
  222   3HD1  ILE  33          3HD1      ILE  33  12.362  -0.492  -0.456
  223    H    HIS  34           H        HIS  34   7.382   0.283   1.945
  224    HA   HIS  34           HA       HIS  34   8.107  -2.283   3.114
  225   1HB   HIS  34          2HB       HIS  34   9.893  -1.298   4.505
  226   2HB   HIS  34          1HB       HIS  34  10.270  -1.225   2.787
  227    HD2  HIS  34           2HD      HIS  34  10.239   1.016   5.803
  228    HE1  HIS  34           1HE      HIS  34  10.157   3.565   2.430
  229    HE2  HIS  34           2HE      HIS  34  10.733   3.398   4.894
  230    H    CYS  35           H        CYS  35   5.813  -0.122   3.179
  231    HA   CYS  35           HA       CYS  35   5.706   0.798   5.854
  232   1HB   CYS  35          2HB       CYS  35   3.183   0.223   4.375
  233   2HB   CYS  35          1HB       CYS  35   3.637   1.642   5.316
  234    H    LEU  36           H        LEU  36   4.211  -1.925   4.217
  235    HA   LEU  36           HA       LEU  36   2.765  -2.933   6.387
  236   1HB   LEU  36          2HB       LEU  36   3.129  -5.127   4.844
  237   2HB   LEU  36          1HB       LEU  36   1.925  -3.890   4.539
  238    HG   LEU  36           HG       LEU  36   4.541  -3.318   3.335
  239   1HD1  LEU  36          1HD1      LEU  36   3.154  -5.243   1.678
  240   2HD1  LEU  36          2HD1      LEU  36   4.863  -5.143   2.105
  241   3HD1  LEU  36          3HD1      LEU  36   3.732  -5.958   3.184
  242   1HD2  LEU  36          1HD2      LEU  36   3.253  -2.468   1.600
  243   2HD2  LEU  36          2HD2      LEU  36   1.896  -3.539   1.950
  244   3HD2  LEU  36          3HD2      LEU  36   2.244  -2.179   3.018
  245    H    ARG  37           H        ARG  37   3.057  -5.172   7.265
  246    HA   ARG  37           HA       ARG  37   5.418  -5.340   8.774
  247   1HB   ARG  37          2HB       ARG  37   2.971  -6.892   8.452
  248   2HB   ARG  37          1HB       ARG  37   4.367  -7.907   8.794
  249   1HG   ARG  37          2HG       ARG  37   2.966  -7.030  10.755
  250   2HG   ARG  37          1HG       ARG  37   4.724  -6.938  10.867
  251   1HD   ARG  37          2HD       ARG  37   4.356  -4.801  11.440
  252   2HD   ARG  37          1HD       ARG  37   4.138  -4.554   9.709
  253    HE   ARG  37           HE       ARG  37   1.759  -5.279  11.207
  254   1HH1  ARG  37          2HH1      ARG  37   3.695  -2.729   9.791
  255   2HH1  ARG  37          1HH1      ARG  37   2.401  -1.568   9.814
  256   1HH2  ARG  37          2HH2      ARG  37   0.061  -3.757  11.260
  257   2HH2  ARG  37          1HH2      ARG  37   0.330  -2.143  10.657
  258    HA   PRO  38           HA       PRO  38   7.057  -8.643   5.723
  259   1HB   PRO  38          2HB       PRO  38   5.371  -8.874   3.406
  260   2HB   PRO  38          1HB       PRO  38   5.710 -10.103   4.625
  261   1HG   PRO  38          2HG       PRO  38   3.252  -8.921   4.244
  262   2HG   PRO  38          1HG       PRO  38   3.778  -9.685   5.756
  263   1HD   PRO  38          2HD       PRO  38   3.713  -6.785   5.012
  264   2HD   PRO  38          1HD       PRO  38   3.321  -7.565   6.561
  265    H    ALA  39           H        ALA  39   7.887  -6.249   5.731
  266    HA   ALA  39           HA       ALA  39   7.525  -4.589   3.524
  267   1HB   ALA  39          1HB       ALA  39   9.307  -3.294   4.375
  268   2HB   ALA  39          2HB       ALA  39   8.494  -3.997   5.773
  269   3HB   ALA  39          3HB       ALA  39  10.017  -4.681   5.202
  270    H    LEU  40           H        LEU  40   8.761  -4.149   1.714
  271    HA   LEU  40           HA       LEU  40  10.404  -6.368   0.757
  272   1HB   LEU  40          2HB       LEU  40   9.294  -3.941  -0.664
  273   2HB   LEU  40          1HB       LEU  40  10.305  -5.156  -1.424
  274    HG   LEU  40           HG       LEU  40   8.146  -6.533  -0.223
  275   1HD1  LEU  40          1HD1      LEU  40   7.174  -4.271  -1.957
  276   2HD1  LEU  40          2HD1      LEU  40   6.207  -5.516  -1.168
  277   3HD1  LEU  40          3HD1      LEU  40   7.034  -4.297  -0.199
  278   1HD2  LEU  40          1HD2      LEU  40   8.856  -7.563  -2.100
  279   2HD2  LEU  40          2HD2      LEU  40   7.596  -6.589  -2.859
  280   3HD2  LEU  40          3HD2      LEU  40   9.274  -6.050  -2.903
  281    H    TYR  41           H        TYR  41  12.516  -6.057   0.079
  282    HA   TYR  41           HA       TYR  41  13.786  -3.618   1.136
  283   1HB   TYR  41          2HB       TYR  41  15.068  -6.314   0.618
  284   2HB   TYR  41          1HB       TYR  41  15.832  -4.917   1.373
  285    HD1  TYR  41           1HD      TYR  41  15.292  -4.287   3.664
  286    HD2  TYR  41           2HD      TYR  41  13.479  -7.677   1.843
  287    HE1  TYR  41           1HE      TYR  41  14.503  -5.041   5.868
  288    HE2  TYR  41           2HE      TYR  41  12.689  -8.442   4.040
  289    HH   TYR  41           HH       TYR  41  13.848  -7.255   6.935
  290    H    GLU  42           H        GLU  42  12.690  -4.971  -1.566
  291    HA   GLU  42           HA       GLU  42  14.590  -3.493  -3.234
  292   1HB   GLU  42          2HB       GLU  42  14.053  -6.280  -3.341
  293   2HB   GLU  42          1HB       GLU  42  13.310  -5.555  -4.760
  294   1HG   GLU  42          2HG       GLU  42  16.183  -5.181  -3.944
  295   2HG   GLU  42          1HG       GLU  42  15.612  -6.328  -5.155
  296    H    VAL  43           H        VAL  43  13.649  -2.458  -5.056
  297    HA   VAL  43           HA       VAL  43  10.932  -1.611  -4.556
  298    HB   VAL  43           HB       VAL  43  12.731  -0.782  -6.841
  299   1HG1  VAL  43          1HG1      VAL  43  11.331   1.194  -6.931
  300   2HG1  VAL  43          2HG1      VAL  43  10.344  -0.257  -7.111
  301   3HG1  VAL  43          3HG1      VAL  43  10.372   0.607  -5.572
  302   1HG2  VAL  43          1HG2      VAL  43  12.565   1.207  -4.819
  303   2HG2  VAL  43          2HG2      VAL  43  13.071  -0.306  -4.067
  304   3HG2  VAL  43          3HG2      VAL  43  13.991   0.359  -5.417
  305    HA   PRO  44           HA       PRO  44   9.431  -4.798  -7.279
  306   1HB   PRO  44          2HB       PRO  44   6.767  -3.814  -6.608
  307   2HB   PRO  44          1HB       PRO  44   7.525  -5.351  -6.189
  308   1HG   PRO  44          2HG       PRO  44   7.001  -3.420  -4.361
  309   2HG   PRO  44          1HG       PRO  44   8.361  -4.549  -4.208
  310   1HD   PRO  44          2HD       PRO  44   8.346  -1.704  -5.144
  311   2HD   PRO  44          1HD       PRO  44   9.517  -2.544  -4.104
  312    H    ASP  45           H        ASP  45   9.757  -4.291  -9.366
  313    HA   ASP  45           HA       ASP  45   8.307  -2.053 -10.573
  314   1HB   ASP  45          2HB       ASP  45  10.449  -1.996 -11.435
  315   2HB   ASP  45          1HB       ASP  45  10.637  -3.742 -11.363
  316    H    GLY  46           H        GLY  46   6.677  -2.317 -12.034
  317   1HA   GLY  46          1HA       GLY  46   5.407  -3.640 -13.592
  318   2HA   GLY  46          2HA       GLY  46   5.907  -5.076 -12.706
  319    H    GLU  47           H        GLU  47   4.070  -5.947 -11.970
  320    HA   GLU  47           HA       GLU  47   1.914  -4.288 -10.988
  321   1HB   GLU  47          2HB       GLU  47   2.051  -7.285 -10.745
  322   2HB   GLU  47          1HB       GLU  47   0.630  -6.261 -10.890
  323   1HG   GLU  47          2HG       GLU  47   0.610  -6.780 -13.038
  324   2HG   GLU  47          1HG       GLU  47   2.043  -5.769 -13.213
  325    H    TRP  48           H        TRP  48   0.953  -4.643  -8.857
  326    HA   TRP  48           HA       TRP  48   2.466  -5.916  -6.793
  327   1HB   TRP  48          2HB       TRP  48   3.705  -3.720  -7.145
  328   2HB   TRP  48          1HB       TRP  48   2.250  -2.905  -6.583
  329    HD1  TRP  48           HD       TRP  48   4.921  -5.387  -5.302
  330    HE1  TRP  48           1HE      TRP  48   5.047  -5.173  -2.741
  331    HE3  TRP  48           3HE      TRP  48   1.080  -2.092  -4.570
  332    HZ2  TRP  48           2HZ      TRP  48   3.691  -3.794  -0.683
  333    HZ3  TRP  48           3HZ      TRP  48   0.559  -1.379  -2.273
  334    HH2  TRP  48           HH       TRP  48   1.839  -2.214  -0.373
  335    H    GLN  49           H        GLN  49   1.379  -5.686  -4.670
  336    HA   GLN  49           HA       GLN  49  -1.158  -4.442  -4.477
  337   1HB   GLN  49          2HB       GLN  49  -2.636  -6.240  -4.571
  338   2HB   GLN  49          1HB       GLN  49  -1.551  -6.550  -5.916
  339   1HG   GLN  49          2HG       GLN  49  -0.384  -8.220  -4.677
  340   2HG   GLN  49          1HG       GLN  49  -1.270  -7.813  -3.207
  341   1HE2  GLN  49          1HE2      GLN  49  -3.536  -8.254  -3.139
  342   2HE2  GLN  49          2HE2      GLN  49  -4.205  -9.519  -4.121
  343    H    CYS  50           H        CYS  50  -2.012  -4.545  -2.329
  344    HA   CYS  50           HA       CYS  50  -0.076  -4.602  -0.342
  345   1HB   CYS  50          2HB       CYS  50  -2.619  -5.047   0.884
  346   2HB   CYS  50          1HB       CYS  50  -1.690  -3.564   0.792
  347    HA   PRO  51           HA       PRO  51  -0.439  -8.825   1.235
  348   1HB   PRO  51          2HB       PRO  51   0.379  -8.542   3.750
  349   2HB   PRO  51          1HB       PRO  51   1.482  -8.180   2.416
  350   1HG   PRO  51          2HG       PRO  51  -0.001  -6.323   4.206
  351   2HG   PRO  51          1HG       PRO  51   1.594  -6.131   3.462
  352   1HD   PRO  51          2HD       PRO  51  -0.860  -5.059   2.537
  353   2HD   PRO  51          1HD       PRO  51   0.695  -5.057   1.683
  354    H    ARG  52           H        ARG  52  -2.580  -6.472   1.851
  355    HA   ARG  52           HA       ARG  52  -3.974  -7.749   4.077
  356   1HB   ARG  52          2HB       ARG  52  -3.600  -5.054   3.170
  357   2HB   ARG  52          1HB       ARG  52  -5.321  -5.402   3.264
  358   1HG   ARG  52          2HG       ARG  52  -5.299  -5.269   5.474
  359   2HG   ARG  52          1HG       ARG  52  -3.944  -6.394   5.592
  360   1HD   ARG  52          2HD       ARG  52  -2.700  -4.161   4.681
  361   2HD   ARG  52          1HD       ARG  52  -3.983  -3.457   5.667
  362    HE   ARG  52           HE       ARG  52  -1.926  -5.338   6.644
  363   1HH1  ARG  52          2HH1      ARG  52  -4.328  -2.838   7.217
  364   2HH1  ARG  52          1HH1      ARG  52  -3.867  -2.598   8.877
  365   1HH2  ARG  52          2HH2      ARG  52  -1.362  -5.066   8.842
  366   2HH2  ARG  52          1HH2      ARG  52  -2.200  -3.882   9.810
  367    H    CYS  53           H        CYS  53  -4.102  -7.709   0.718
  368    HA   CYS  53           HA       CYS  53  -6.915  -7.835   0.325
  369   1HB   CYS  53          2HB       CYS  53  -5.308  -9.264  -1.628
  370   2HB   CYS  53          1HB       CYS  53  -6.276  -7.804  -1.831
  371    H    THR  54           H        THR  54  -4.352 -10.127   0.945
  372    HA   THR  54           HA       THR  54  -6.372 -12.163   1.551
  373    HB   THR  54           HB       THR  54  -4.634 -13.870   0.694
  374    HG1  THR  54           1HG      THR  54  -3.751 -11.453  -0.549
  375   1HG2  THR  54          1HG2      THR  54  -6.700 -13.700  -0.442
  376   2HG2  THR  54          2HG2      THR  54  -5.464 -13.544  -1.692
  377   3HG2  THR  54          3HG2      THR  54  -6.298 -12.109  -1.091
  378    H    CYS  55           H        CYS  55  -2.846 -12.296   1.536
  379    HA   CYS  55           HA       CYS  55  -2.391 -11.726   4.258
  380   1HB   CYS  55          2HB       CYS  55  -3.312 -14.419   3.658
  381   2HB   CYS  55          1HB       CYS  55  -1.683 -14.449   4.325
  382    HG   CYS  55           HG       CYS  55  -4.025 -12.609   5.960
  383    HA   PRO  56           HA       PRO  56   1.813 -11.825   2.752
  384   1HB   PRO  56          2HB       PRO  56   3.236 -13.206   4.649
  385   2HB   PRO  56          1HB       PRO  56   2.726 -11.524   4.825
  386   1HG   PRO  56          2HG       PRO  56   1.478 -14.009   5.922
  387   2HG   PRO  56          1HG       PRO  56   1.712 -12.434   6.702
  388   1HD   PRO  56          2HD       PRO  56  -0.670 -13.196   5.705
  389   2HD   PRO  56          1HD       PRO  56  -0.129 -11.505   5.658
  390    H    ALA  57           H        ALA  57   0.143 -14.725   3.300
  391    HA   ALA  57           HA       ALA  57   2.024 -16.225   1.603
  392   1HB   ALA  57          1HB       ALA  57   1.013 -17.005   4.034
  393   2HB   ALA  57          2HB       ALA  57  -0.070 -17.798   2.890
  394   3HB   ALA  57          3HB       ALA  57   1.669 -18.081   2.801
  395    H    LEU  58           H        LEU  58   0.277 -18.194   0.718
  396    HA   LEU  58           HA       LEU  58  -1.222 -18.658  -0.919
  397   1HB   LEU  58          2HB       LEU  58  -2.581 -17.074   0.946
  398   2HB   LEU  58          1HB       LEU  58  -3.002 -16.397  -0.615
  399    HG   LEU  58           HG       LEU  58  -3.200 -19.347  -0.344
  400   1HD1  LEU  58          1HD1      LEU  58  -4.540 -19.313   1.423
  401   2HD1  LEU  58          2HD1      LEU  58  -4.506 -17.551   1.479
  402   3HD1  LEU  58          3HD1      LEU  58  -5.691 -18.377   0.466
  403   1HD2  LEU  58          1HD2      LEU  58  -4.883 -17.213  -1.650
  404   2HD2  LEU  58          2HD2      LEU  58  -3.739 -18.293  -2.448
  405   3HD2  LEU  58          3HD2      LEU  58  -5.208 -18.945  -1.722
  406    H    LYS  59           H        LYS  59   0.975 -17.360  -1.809
  407    HA   LYS  59           HA       LYS  59  -0.126 -15.709  -3.978
  408   1HB   LYS  59          2HB       LYS  59   1.383 -14.585  -2.071
  409   2HB   LYS  59          1HB       LYS  59   2.672 -15.194  -3.098
  410   1HG   LYS  59          2HG       LYS  59   2.068 -12.863  -3.597
  411   2HG   LYS  59          1HG       LYS  59   1.845 -13.942  -4.977
  412   1HD   LYS  59          2HD       LYS  59  -0.379 -13.608  -5.028
  413   2HD   LYS  59          1HD       LYS  59  -0.526 -13.655  -3.269
  414   1HE   LYS  59          2HE       LYS  59   0.891 -11.298  -4.025
  415   2HE   LYS  59          1HE       LYS  59  -0.593 -11.400  -4.972
  416   1HZ   LYS  59          1HZ       LYS  59  -0.736 -11.912  -2.090
  417   2HZ   LYS  59          2HZ       LYS  59  -1.895 -11.236  -3.126
  418   3HZ   LYS  59          3HZ       LYS  59  -0.569 -10.309  -2.615
  419    H    GLY  60           H        GLY  60   0.260 -18.489  -3.934
  420   1HA   GLY  60          1HA       GLY  60   1.111 -19.456  -6.159
  421   2HA   GLY  60          2HA       GLY  60   2.676 -18.902  -5.571
  422    H    LYS  61           H        LYS  61   2.235 -19.457  -2.852
  423    HA   LYS  61           HA       LYS  61   1.576 -22.267  -2.633
  424   1HB   LYS  61          2HB       LYS  61   4.152 -21.855  -3.124
  425   2HB   LYS  61          1HB       LYS  61   4.182 -21.452  -1.412
  426   1HG   LYS  61          2HG       LYS  61   2.745 -23.905  -1.837
  427   2HG   LYS  61          1HG       LYS  61   4.350 -23.987  -2.565
  428   1HD   LYS  61          2HD       LYS  61   5.027 -24.547  -0.499
  429   2HD   LYS  61          1HD       LYS  61   4.899 -22.819  -0.166
  430   1HE   LYS  61          2HE       LYS  61   3.633 -23.615   1.552
  431   2HE   LYS  61          1HE       LYS  61   2.378 -23.479   0.320
  432   1HZ   LYS  61          1HZ       LYS  61   3.782 -25.910   1.252
  433   2HZ   LYS  61          2HZ       LYS  61   2.940 -25.878  -0.222
  434   3HZ   LYS  61          3HZ       LYS  61   2.113 -25.598   1.228
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -20.822   9.162   6.423
    2   2H    GLY   1          2H        GLY   1 -19.875   7.796   6.109
    3   3H    GLY   1          3H        GLY   1 -19.484   9.281   5.390
    4   1HA   GLY   1          2HA       GLY   1 -19.462   9.927   8.005
    5   2HA   GLY   1          1HA       GLY   1 -18.852   8.275   8.020
    6    HA   PRO   2           HA       PRO   2 -14.905  10.028   7.015
    7   1HB   PRO   2          2HB       PRO   2 -14.077   7.415   6.013
    8   2HB   PRO   2          1HB       PRO   2 -13.541   8.272   7.459
    9   1HG   PRO   2          2HG       PRO   2 -15.054   6.030   7.570
   10   2HG   PRO   2          1HG       PRO   2 -15.161   7.319   8.785
   11   1HD   PRO   2          2HD       PRO   2 -16.956   6.753   6.451
   12   2HD   PRO   2          1HD       PRO   2 -17.383   7.217   8.114
   13    H    LEU   3           H        LEU   3 -14.830  11.320   5.267
   14    HA   LEU   3           HA       LEU   3 -15.137  10.078   2.610
   15   1HB   LEU   3          2HB       LEU   3 -15.578  12.592   1.989
   16   2HB   LEU   3          1HB       LEU   3 -16.860  11.578   2.622
   17    HG   LEU   3           HG       LEU   3 -15.711  12.710   4.891
   18   1HD1  LEU   3          1HD1      LEU   3 -14.480  14.360   3.786
   19   2HD1  LEU   3          2HD1      LEU   3 -15.757  14.647   2.604
   20   3HD1  LEU   3          3HD1      LEU   3 -15.965  15.176   4.274
   21   1HD2  LEU   3          1HD2      LEU   3 -17.818  13.902   5.059
   22   2HD2  LEU   3          2HD2      LEU   3 -18.139  13.614   3.348
   23   3HD2  LEU   3          3HD2      LEU   3 -18.089  12.260   4.474
   24    H    GLY   4           H        GLY   4 -13.901  11.114   0.865
   25   1HA   GLY   4          1HA       GLY   4 -12.044  12.452   0.147
   26   2HA   GLY   4          2HA       GLY   4 -11.432  12.424   1.795
   27    H    SER   5           H        SER   5 -10.525  10.432   2.601
   28    HA   SER   5           HA       SER   5  -9.731   8.559   0.487
   29   1HB   SER   5          2HB       SER   5  -7.881   9.616   2.638
   30   2HB   SER   5          1HB       SER   5  -7.461   8.471   1.365
   31    HG   SER   5           HG       SER   5  -7.074  10.108   0.119
   32    H    ASP   6           H        ASP   6 -11.686   7.570   1.618
   33    HA   ASP   6           HA       ASP   6 -10.822   6.061   3.995
   34   1HB   ASP   6          2HB       ASP   6 -12.878   7.082   4.527
   35   2HB   ASP   6          1HB       ASP   6 -13.547   6.772   2.927
   36    H    HIS   7           H        HIS   7 -12.526   5.734   0.915
   37    HA   HIS   7           HA       HIS   7 -11.556   2.958   0.739
   38   1HB   HIS   7          2HB       HIS   7 -14.083   3.451   0.546
   39   2HB   HIS   7          1HB       HIS   7 -13.696   4.150  -1.023
   40    HD2  HIS   7           2HD      HIS   7 -12.635   2.271  -2.914
   41    HE1  HIS   7           1HE      HIS   7 -14.201  -1.045  -0.804
   42    HE2  HIS   7           2HE      HIS   7 -13.351  -0.221  -3.046
   43    H    HIS   8           H        HIS   8 -10.045   2.535  -0.724
   44    HA   HIS   8           HA       HIS   8  -8.503   2.778  -2.363
   45   1HB   HIS   8          2HB       HIS   8 -10.571   3.186  -3.800
   46   2HB   HIS   8          1HB       HIS   8 -10.232   4.904  -3.629
   47    HD2  HIS   8           2HD      HIS   8  -7.068   2.811  -4.042
   48    HE1  HIS   8           1HE      HIS   8  -8.029   4.446  -7.824
   49    HE2  HIS   8           2HE      HIS   8  -6.191   3.439  -6.402
   50    H    MET   9           H        MET   9  -7.394   3.700  -0.459
   51    HA   MET   9           HA       MET   9  -7.048   6.526  -0.239
   52   1HB   MET   9          2HB       MET   9  -5.671   4.118   0.903
   53   2HB   MET   9          1HB       MET   9  -4.938   5.705   1.080
   54   1HG   MET   9          2HG       MET   9  -6.541   6.439   2.518
   55   2HG   MET   9          1HG       MET   9  -7.784   5.378   1.861
   56   1HE   MET   9          1HE       MET   9  -7.320   4.531   5.694
   57   2HE   MET   9          2HE       MET   9  -6.289   5.888   5.233
   58   3HE   MET   9          3HE       MET   9  -7.931   5.772   4.598
   59    H    GLU  10           H        GLU  10  -5.672   7.836  -1.307
   60    HA   GLU  10           HA       GLU  10  -3.842   6.646  -3.259
   61   1HB   GLU  10          2HB       GLU  10  -3.691   9.510  -3.178
   62   2HB   GLU  10          1HB       GLU  10  -4.237   8.470  -4.485
   63   1HG   GLU  10          2HG       GLU  10  -6.138   9.648  -4.174
   64   2HG   GLU  10          1HG       GLU  10  -6.419   8.378  -2.981
   65    H    PHE  11           H        PHE  11  -3.804   7.226  -0.144
   66    HA   PHE  11           HA       PHE  11  -0.923   7.742  -0.118
   67   1HB   PHE  11          2HB       PHE  11  -1.045   9.074   1.837
   68   2HB   PHE  11          1HB       PHE  11  -2.314   9.697   0.791
   69    HD1  PHE  11           1HD      PHE  11  -4.706   8.847   1.216
   70    HD2  PHE  11           2HD      PHE  11  -1.526   8.425   4.010
   71    HE1  PHE  11           1HE      PHE  11  -6.340   8.542   3.029
   72    HE2  PHE  11           2HE      PHE  11  -3.157   8.112   5.824
   73    HZ   PHE  11           HZ       PHE  11  -5.569   8.174   5.337
   74    H    CYS  12           H        CYS  12  -0.001   6.867   2.052
   75    HA   CYS  12           HA       CYS  12  -0.710   4.119   2.159
   76   1HB   CYS  12          2HB       CYS  12   1.274   5.865   3.522
   77   2HB   CYS  12          1HB       CYS  12   0.891   4.312   4.262
   78    HG   CYS  12           HG       CYS  12   3.135   4.824   2.152
   79    H    ARG  13           H        ARG  13  -2.132   3.137   3.378
   80    HA   ARG  13           HA       ARG  13  -3.711   4.466   5.342
   81   1HB   ARG  13          2HB       ARG  13  -3.694   1.614   5.722
   82   2HB   ARG  13          1HB       ARG  13  -4.990   2.642   5.127
   83   1HG   ARG  13          2HG       ARG  13  -4.110   2.472   2.867
   84   2HG   ARG  13          1HG       ARG  13  -2.768   1.486   3.451
   85   1HD   ARG  13          2HD       ARG  13  -4.581   0.152   2.438
   86   2HD   ARG  13          1HD       ARG  13  -4.280  -0.256   4.128
   87    HE   ARG  13           HE       ARG  13  -6.284   1.648   4.134
   88   1HH1  ARG  13          2HH1      ARG  13  -5.812  -1.595   2.893
   89   2HH1  ARG  13          1HH1      ARG  13  -7.496  -2.014   3.001
   90   1HH2  ARG  13          2HH2      ARG  13  -8.498   1.117   4.261
   91   2HH2  ARG  13          1HH2      ARG  13  -9.032  -0.461   3.742
   92    H    VAL  14           H        VAL  14  -0.607   3.137   5.378
   93    HA   VAL  14           HA       VAL  14  -0.632   2.686   8.265
   94    HB   VAL  14           HB       VAL  14   1.469   1.973   6.214
   95   1HG1  VAL  14          1HG1      VAL  14   2.634   0.813   7.908
   96   2HG1  VAL  14          2HG1      VAL  14   2.265   2.400   8.579
   97   3HG1  VAL  14          3HG1      VAL  14   1.307   0.999   9.054
   98   1HG2  VAL  14          1HG2      VAL  14  -0.992   0.712   6.950
   99   2HG2  VAL  14          2HG2      VAL  14   0.197   0.216   5.746
  100   3HG2  VAL  14          3HG2      VAL  14   0.362  -0.316   7.420
  101    H    CYS  15           H        CYS  15   1.850   3.954   6.023
  102    HA   CYS  15           HA       CYS  15   2.994   5.500   8.114
  103   1HB   CYS  15          2HB       CYS  15   4.801   5.778   6.719
  104   2HB   CYS  15          1HB       CYS  15   4.084   4.332   6.021
  105    H    LYS  16           H        LYS  16   0.491   6.146   5.990
  106    HA   LYS  16           HA       LYS  16  -0.835   7.950   5.683
  107   1HB   LYS  16          2HB       LYS  16   1.049   9.127   7.693
  108   2HB   LYS  16          1HB       LYS  16  -0.121  10.148   6.870
  109   1HG   LYS  16          2HG       LYS  16  -1.248   7.690   7.981
  110   2HG   LYS  16          1HG       LYS  16  -0.578   8.796   9.181
  111   1HD   LYS  16          2HD       LYS  16  -1.955  10.598   8.340
  112   2HD   LYS  16          1HD       LYS  16  -2.562   9.565   7.044
  113   1HE   LYS  16          2HE       LYS  16  -4.127   8.713   8.369
  114   2HE   LYS  16          1HE       LYS  16  -2.936   8.301   9.602
  115   1HZ   LYS  16          1HZ       LYS  16  -4.073   9.805  10.794
  116   2HZ   LYS  16          2HZ       LYS  16  -4.712  10.585   9.431
  117   3HZ   LYS  16          3HZ       LYS  16  -3.134  10.938   9.948
  118    H    ASP  17           H        ASP  17   2.299   7.709   4.644
  119    HA   ASP  17           HA       ASP  17   2.269  10.199   3.115
  120   1HB   ASP  17          2HB       ASP  17   4.302   8.274   3.924
  121   2HB   ASP  17          1HB       ASP  17   4.421   8.688   2.218
  122    H    GLY  18           H        GLY  18   1.845  10.326   0.970
  123   1HA   GLY  18          1HA       GLY  18   1.683   7.907  -0.635
  124   2HA   GLY  18          2HA       GLY  18   0.147   8.713  -0.339
  125    H    GLY  19           H        GLY  19  -0.234   9.291  -2.442
  126   1HA   GLY  19          1HA       GLY  19  -0.138  11.295  -3.831
  127   2HA   GLY  19          2HA       GLY  19   1.595  11.342  -3.528
  128    H    GLU  20           H        GLU  20   2.864  10.526  -5.051
  129    HA   GLU  20           HA       GLU  20   1.670   8.682  -7.014
  130   1HB   GLU  20          2HB       GLU  20   4.174  10.351  -7.313
  131   2HB   GLU  20          1HB       GLU  20   3.397   9.388  -8.562
  132   1HG   GLU  20          2HG       GLU  20   1.346  10.973  -7.894
  133   2HG   GLU  20          1HG       GLU  20   2.691  12.048  -7.508
  134    H    LEU  21           H        LEU  21   1.948   6.947  -5.541
  135    HA   LEU  21           HA       LEU  21   4.719   5.987  -5.338
  136   1HB   LEU  21          2HB       LEU  21   4.470   5.447  -3.073
  137   2HB   LEU  21          1HB       LEU  21   3.791   7.053  -3.224
  138    HG   LEU  21           HG       LEU  21   2.089   4.559  -3.207
  139   1HD1  LEU  21          1HD1      LEU  21   3.565   5.663  -1.057
  140   2HD1  LEU  21          2HD1      LEU  21   1.863   6.045  -0.795
  141   3HD1  LEU  21          3HD1      LEU  21   2.367   4.370  -1.017
  142   1HD2  LEU  21          1HD2      LEU  21   0.619   6.623  -2.205
  143   2HD2  LEU  21          2HD2      LEU  21   1.612   7.438  -3.413
  144   3HD2  LEU  21          3HD2      LEU  21   0.589   6.080  -3.884
  145    H    LEU  22           H        LEU  22   4.459   3.605  -4.229
  146    HA   LEU  22           HA       LEU  22   3.220   1.994  -6.231
  147   1HB   LEU  22          2HB       LEU  22   5.089   0.961  -5.397
  148   2HB   LEU  22          1HB       LEU  22   4.819   1.543  -3.767
  149    HG   LEU  22           HG       LEU  22   2.738  -0.206  -4.072
  150   1HD1  LEU  22          1HD1      LEU  22   4.451  -0.782  -6.203
  151   2HD1  LEU  22          2HD1      LEU  22   4.758  -2.027  -4.993
  152   3HD1  LEU  22          3HD1      LEU  22   3.120  -1.768  -5.596
  153   1HD2  LEU  22          1HD2      LEU  22   4.826   0.119  -2.392
  154   2HD2  LEU  22          2HD2      LEU  22   3.710  -1.245  -2.328
  155   3HD2  LEU  22          3HD2      LEU  22   5.260  -1.411  -3.153
  156    H    CYS  23           H        CYS  23   1.410   0.640  -6.034
  157    HA   CYS  23           HA       CYS  23  -0.235   0.799  -3.646
  158   1HB   CYS  23          2HB       CYS  23  -2.169   1.551  -5.299
  159   2HB   CYS  23          1HB       CYS  23  -1.144   2.737  -4.497
  160    HG   CYS  23           HG       CYS  23  -0.791   1.645  -7.725
  161    H    CYS  24           H        CYS  24  -1.894  -0.789  -3.589
  162    HA   CYS  24           HA       CYS  24  -1.444  -3.132  -5.087
  163   1HB   CYS  24          2HB       CYS  24  -4.165  -2.885  -4.071
  164   2HB   CYS  24          1HB       CYS  24  -2.914  -4.043  -3.647
  165    H    ASP  25           H        ASP  25  -2.281  -3.837  -6.977
  166    HA   ASP  25           HA       ASP  25  -3.699  -1.857  -8.574
  167   1HB   ASP  25          2HB       ASP  25  -1.654  -3.374  -9.280
  168   2HB   ASP  25          1HB       ASP  25  -2.925  -4.532  -9.656
  169    H    THR  26           H        THR  26  -4.204  -4.937  -7.110
  170    HA   THR  26           HA       THR  26  -6.872  -5.139  -8.320
  171    HB   THR  26           HB       THR  26  -5.459  -7.082  -8.704
  172    HG1  THR  26           1HG      THR  26  -7.739  -7.386  -8.230
  173   1HG2  THR  26          1HG2      THR  26  -5.191  -7.154  -5.706
  174   2HG2  THR  26          2HG2      THR  26  -3.910  -6.930  -6.900
  175   3HG2  THR  26          3HG2      THR  26  -4.736  -8.485  -6.771
  176    H    CYS  27           H        CYS  27  -5.601  -3.696  -5.858
  177    HA   CYS  27           HA       CYS  27  -7.949  -4.033  -4.204
  178   1HB   CYS  27          2HB       CYS  27  -6.625  -5.511  -2.989
  179   2HB   CYS  27          1HB       CYS  27  -5.147  -4.615  -3.306
  180    HA   PRO  28           HA       PRO  28  -7.453   0.268  -4.406
  181   1HB   PRO  28          2HB       PRO  28  -9.447   1.041  -2.757
  182   2HB   PRO  28          1HB       PRO  28  -9.743   0.241  -4.303
  183   1HG   PRO  28          2HG       PRO  28  -9.866  -0.860  -1.542
  184   2HG   PRO  28          1HG       PRO  28 -10.851  -1.261  -2.958
  185   1HD   PRO  28          2HD       PRO  28  -8.699  -2.748  -1.994
  186   2HD   PRO  28          1HD       PRO  28  -9.401  -2.888  -3.615
  187    H    SER  29           H        SER  29  -5.274   0.046  -3.198
  188    HA   SER  29           HA       SER  29  -5.338   1.982  -1.036
  189   1HB   SER  29          2HB       SER  29  -4.163  -0.780  -0.682
  190   2HB   SER  29          1HB       SER  29  -3.844   0.571   0.404
  191    HG   SER  29           HG       SER  29  -5.608  -0.974   0.945
  192    H    SER  30           H        SER  30  -2.979   2.480  -0.342
  193    HA   SER  30           HA       SER  30  -1.085   2.068  -2.532
  194   1HB   SER  30          2HB       SER  30  -1.502   4.753  -1.201
  195   2HB   SER  30          1HB       SER  30  -0.390   4.387  -2.521
  196    HG   SER  30           HG       SER  30  -3.212   4.529  -2.551
  197    H    TYR  31           H        TYR  31   1.100   1.961  -1.905
  198    HA   TYR  31           HA       TYR  31   1.693   2.133   0.964
  199   1HB   TYR  31          2HB       TYR  31   1.803  -0.354  -0.718
  200   2HB   TYR  31          1HB       TYR  31   2.847  -0.166   0.686
  201    HD1  TYR  31           1HD      TYR  31  -0.009  -1.673  -0.346
  202    HD2  TYR  31           2HD      TYR  31   1.350   0.840   2.802
  203    HE1  TYR  31           1HE      TYR  31  -1.816  -2.503   1.088
  204    HE2  TYR  31           2HE      TYR  31  -0.458   0.016   4.247
  205    HH   TYR  31           HH       TYR  31  -2.989  -2.075   2.997
  206    H    HIS  32           H        HIS  32   4.028   1.578   1.379
  207    HA   HIS  32           HA       HIS  32   5.778   2.278  -0.876
  208   1HB   HIS  32          2HB       HIS  32   6.086   2.975   2.050
  209   2HB   HIS  32          1HB       HIS  32   7.422   3.014   0.920
  210    HD2  HIS  32           2HD      HIS  32   7.234   5.065  -1.065
  211    HE1  HIS  32           1HE      HIS  32   4.450   7.274   1.241
  212    HE2  HIS  32           2HE      HIS  32   5.880   7.278  -0.860
  213    H    ILE  33           H        ILE  33   8.099   1.307  -0.252
  214    HA   ILE  33           HA       ILE  33   7.655  -1.494   0.398
  215    HB   ILE  33           HB       ILE  33  10.203  -1.626   0.106
  216   1HG1  ILE  33          2HG1      ILE  33   9.962   0.877  -1.502
  217   1HG2  ILE  33          1HG2      ILE  33   9.852  -2.234  -2.036
  218   2HG2  ILE  33          2HG2      ILE  33   8.163  -1.991  -1.587
  219   3HG2  ILE  33          3HG2      ILE  33   9.038  -0.724  -2.447
  220   1HD1  ILE  33          1HD1      ILE  33  11.992  -0.356  -1.752
  221   2HD1  ILE  33          2HD1      ILE  33  12.334   1.118  -0.845
  222   3HD1  ILE  33          3HD1      ILE  33  12.218  -0.429  -0.004
  223    H    HIS  34           H        HIS  34   6.865  -0.556   2.546
  224    HA   HIS  34           HA       HIS  34   8.672  -1.210   4.628
  225   1HB   HIS  34          2HB       HIS  34   9.099   1.340   3.647
  226   2HB   HIS  34          1HB       HIS  34   8.023   1.623   5.010
  227    HD2  HIS  34           2HD      HIS  34   9.875  -1.208   6.289
  228    HE1  HIS  34           1HE      HIS  34  12.454   2.075   6.969
  229    HE2  HIS  34           2HE      HIS  34  12.074  -0.396   7.398
  230    H    CYS  35           H        CYS  35   5.894   0.706   3.683
  231    HA   CYS  35           HA       CYS  35   4.662   0.678   6.214
  232   1HB   CYS  35          2HB       CYS  35   3.197   1.312   3.691
  233   2HB   CYS  35          1HB       CYS  35   3.226   2.189   5.227
  234    H    LEU  36           H        LEU  36   5.107  -1.969   5.495
  235    HA   LEU  36           HA       LEU  36   2.503  -2.985   6.031
  236   1HB   LEU  36          2HB       LEU  36   2.642  -4.776   4.238
  237   2HB   LEU  36          1HB       LEU  36   2.163  -3.175   3.716
  238    HG   LEU  36           HG       LEU  36   5.023  -3.493   3.471
  239   1HD1  LEU  36          1HD1      LEU  36   4.951  -5.165   1.647
  240   2HD1  LEU  36          2HD1      LEU  36   4.567  -5.854   3.226
  241   3HD1  LEU  36          3HD1      LEU  36   3.275  -5.511   2.072
  242   1HD2  LEU  36          1HD2      LEU  36   4.637  -2.220   1.674
  243   2HD2  LEU  36          2HD2      LEU  36   3.432  -3.341   1.037
  244   3HD2  LEU  36          3HD2      LEU  36   2.968  -2.134   2.240
  245    H    ARG  37           H        ARG  37   2.616  -5.288   6.655
  246    HA   ARG  37           HA       ARG  37   4.735  -5.647   8.428
  247   1HB   ARG  37          2HB       ARG  37   2.444  -7.307   7.538
  248   2HB   ARG  37          1HB       ARG  37   3.758  -8.149   8.344
  249   1HG   ARG  37          2HG       ARG  37   1.652  -6.998   9.603
  250   2HG   ARG  37          1HG       ARG  37   3.212  -7.333  10.351
  251   1HD   ARG  37          2HD       ARG  37   3.064  -5.146  10.904
  252   2HD   ARG  37          1HD       ARG  37   3.764  -4.946   9.300
  253    HE   ARG  37           HE       ARG  37   1.001  -4.969   8.993
  254   1HH1  ARG  37          2HH1      ARG  37   3.479  -2.985  10.453
  255   2HH1  ARG  37          1HH1      ARG  37   2.532  -1.525  10.390
  256   1HH2  ARG  37          2HH2      ARG  37  -0.251  -3.064   8.906
  257   2HH2  ARG  37          1HH2      ARG  37   0.400  -1.575   9.536
  258    HA   PRO  38           HA       PRO  38   6.829  -8.786   5.542
  259   1HB   PRO  38          2HB       PRO  38   5.442  -9.167   3.070
  260   2HB   PRO  38          1HB       PRO  38   5.640 -10.325   4.386
  261   1HG   PRO  38          2HG       PRO  38   3.234  -9.189   3.624
  262   2HG   PRO  38          1HG       PRO  38   3.558  -9.916   5.208
  263   1HD   PRO  38          2HD       PRO  38   3.555  -7.035   4.403
  264   2HD   PRO  38          1HD       PRO  38   2.984  -7.791   5.907
  265    H    ALA  39           H        ALA  39   7.362  -6.215   5.557
  266    HA   ALA  39           HA       ALA  39   7.282  -4.779   3.160
  267   1HB   ALA  39          1HB       ALA  39   7.692  -3.476   5.022
  268   2HB   ALA  39          2HB       ALA  39   8.930  -4.568   5.644
  269   3HB   ALA  39          3HB       ALA  39   9.280  -3.536   4.258
  270    H    LEU  40           H        LEU  40   8.647  -4.547   1.472
  271    HA   LEU  40           HA       LEU  40  10.794  -6.534   1.233
  272   1HB   LEU  40          2HB       LEU  40   9.543  -4.962  -1.012
  273   2HB   LEU  40          1HB       LEU  40  10.538  -6.399  -1.133
  274    HG   LEU  40           HG       LEU  40   8.315  -7.148   0.411
  275   1HD1  LEU  40          1HD1      LEU  40   6.437  -6.585  -1.042
  276   2HD1  LEU  40          2HD1      LEU  40   7.168  -5.134  -0.353
  277   3HD1  LEU  40          3HD1      LEU  40   7.496  -5.576  -2.028
  278   1HD2  LEU  40          1HD2      LEU  40   8.066  -7.893  -2.351
  279   2HD2  LEU  40          2HD2      LEU  40   9.752  -7.989  -1.839
  280   3HD2  LEU  40          3HD2      LEU  40   8.512  -8.882  -0.959
  281    H    TYR  41           H        TYR  41  12.647  -5.795  -0.166
  282    HA   TYR  41           HA       TYR  41  13.434  -3.076   0.631
  283   1HB   TYR  41          2HB       TYR  41  14.928  -5.592   0.076
  284   2HB   TYR  41          1HB       TYR  41  15.715  -4.083  -0.368
  285    HD1  TYR  41           1HD      TYR  41  13.471  -4.464   2.543
  286    HD2  TYR  41           2HD      TYR  41  17.502  -4.197   1.208
  287    HE1  TYR  41           1HE      TYR  41  14.214  -4.168   4.866
  288    HE2  TYR  41           2HE      TYR  41  18.258  -3.920   3.531
  289    HH   TYR  41           HH       TYR  41  15.947  -3.940   6.244
  290    H    GLU  42           H        GLU  42  12.658  -5.106  -2.039
  291    HA   GLU  42           HA       GLU  42  13.534  -3.058  -3.947
  292   1HB   GLU  42          2HB       GLU  42  12.965  -5.984  -4.153
  293   2HB   GLU  42          1HB       GLU  42  12.746  -4.983  -5.581
  294   1HG   GLU  42          2HG       GLU  42  14.905  -5.202  -5.987
  295   2HG   GLU  42          1HG       GLU  42  15.226  -4.247  -4.541
  296    H    VAL  43           H        VAL  43  12.129  -1.909  -5.121
  297    HA   VAL  43           HA       VAL  43   9.397  -1.822  -4.263
  298    HB   VAL  43           HB       VAL  43  10.509  -0.352  -6.643
  299   1HG1  VAL  43          1HG1      VAL  43   8.848   1.273  -5.082
  300   2HG1  VAL  43          2HG1      VAL  43   8.478   0.543  -6.646
  301   3HG1  VAL  43          3HG1      VAL  43   8.054  -0.301  -5.155
  302   1HG2  VAL  43          1HG2      VAL  43  12.088  -0.056  -4.798
  303   2HG2  VAL  43          2HG2      VAL  43  11.219   1.439  -5.145
  304   3HG2  VAL  43          3HG2      VAL  43  10.767   0.461  -3.749
  305    HA   PRO  44           HA       PRO  44   7.965  -4.721  -7.325
  306   1HB   PRO  44          2HB       PRO  44   5.280  -4.067  -6.407
  307   2HB   PRO  44          1HB       PRO  44   6.181  -5.572  -6.217
  308   1HG   PRO  44          2HG       PRO  44   5.606  -3.927  -4.140
  309   2HG   PRO  44          1HG       PRO  44   7.059  -4.943  -4.193
  310   1HD   PRO  44          2HD       PRO  44   6.766  -2.017  -4.778
  311   2HD   PRO  44          1HD       PRO  44   8.051  -2.866  -3.890
  312    H    ASP  45           H        ASP  45   6.157  -4.752  -8.994
  313    HA   ASP  45           HA       ASP  45   6.287  -2.295 -10.500
  314   1HB   ASP  45          2HB       ASP  45   6.405  -4.752 -11.375
  315   2HB   ASP  45          1HB       ASP  45   4.649  -4.690 -11.294
  316    H    GLY  46           H        GLY  46   4.049  -1.909 -11.791
  317   1HA   GLY  46          1HA       GLY  46   2.284  -0.712  -9.925
  318   2HA   GLY  46          2HA       GLY  46   1.982  -0.909 -11.647
  319    H    GLU  47           H        GLU  47   2.119  -3.708 -11.773
  320    HA   GLU  47           HA       GLU  47  -0.469  -4.448 -10.750
  321   1HB   GLU  47          2HB       GLU  47   1.589  -5.697 -12.502
  322   2HB   GLU  47          1HB       GLU  47   0.471  -6.771 -11.671
  323   1HG   GLU  47          2HG       GLU  47  -1.285  -5.026 -12.649
  324   2HG   GLU  47          1HG       GLU  47  -0.011  -4.843 -13.855
  325    H    TRP  48           H        TRP  48  -0.102  -4.228  -8.509
  326    HA   TRP  48           HA       TRP  48   1.537  -6.373  -7.337
  327   1HB   TRP  48          2HB       TRP  48   2.628  -4.165  -7.155
  328   2HB   TRP  48          1HB       TRP  48   1.210  -3.540  -6.324
  329    HD1  TRP  48           HD       TRP  48   3.703  -6.472  -5.755
  330    HE1  TRP  48           1HE      TRP  48   4.212  -6.593  -3.236
  331    HE3  TRP  48           3HE      TRP  48   0.656  -2.701  -4.150
  332    HZ2  TRP  48           2HZ      TRP  48   3.414  -5.251  -0.870
  333    HZ3  TRP  48           3HZ      TRP  48   0.583  -2.185  -1.746
  334    HH2  TRP  48           HH       TRP  48   1.931  -3.435  -0.143
  335    H    GLN  49           H        GLN  49   0.769  -7.372  -5.532
  336    HA   GLN  49           HA       GLN  49  -1.889  -6.553  -4.573
  337   1HB   GLN  49          2HB       GLN  49  -2.344  -8.593  -5.650
  338   2HB   GLN  49          1HB       GLN  49  -0.814  -9.304  -5.156
  339   1HG   GLN  49          2HG       GLN  49  -2.315 -10.414  -3.814
  340   2HG   GLN  49          1HG       GLN  49  -1.787  -9.107  -2.759
  341   1HE2  GLN  49          1HE2      GLN  49  -3.233  -7.595  -2.094
  342   2HE2  GLN  49          2HE2      GLN  49  -4.920  -7.644  -2.475
  343    H    CYS  50           H        CYS  50  -1.886  -5.991  -2.516
  344    HA   CYS  50           HA       CYS  50   0.423  -6.014  -0.913
  345   1HB   CYS  50          2HB       CYS  50  -1.276  -5.369   0.894
  346   2HB   CYS  50          1HB       CYS  50  -1.200  -4.323  -0.524
  347    HA   PRO  51           HA       PRO  51   0.308  -9.847   1.447
  348   1HB   PRO  51          2HB       PRO  51  -0.108  -8.847   4.022
  349   2HB   PRO  51          1HB       PRO  51   1.466  -9.103   3.266
  350   1HG   PRO  51          2HG       PRO  51  -0.119  -6.592   3.546
  351   2HG   PRO  51          1HG       PRO  51   1.638  -6.825   3.607
  352   1HD   PRO  51          2HD       PRO  51   0.429  -5.784   1.452
  353   2HD   PRO  51          1HD       PRO  51   1.837  -6.855   1.301
  354    H    ARG  52           H        ARG  52  -1.869  -7.389   2.672
  355    HA   ARG  52           HA       ARG  52  -4.197  -8.325   1.635
  356   1HB   ARG  52          2HB       ARG  52  -3.517 -10.036   3.731
  357   2HB   ARG  52          1HB       ARG  52  -4.677  -8.928   4.454
  358   1HG   ARG  52          2HG       ARG  52  -5.363 -11.177   3.147
  359   2HG   ARG  52          1HG       ARG  52  -6.403  -9.761   3.282
  360   1HD   ARG  52          2HD       ARG  52  -5.576  -8.949   1.122
  361   2HD   ARG  52          1HD       ARG  52  -4.541 -10.369   0.986
  362    HE   ARG  52           HE       ARG  52  -6.877 -11.557   1.211
  363   1HH1  ARG  52          2HH1      ARG  52  -6.111  -8.662  -0.614
  364   2HH1  ARG  52          1HH1      ARG  52  -7.290  -8.974  -1.847
  365   1HH2  ARG  52          2HH2      ARG  52  -8.430 -11.969  -0.413
  366   2HH2  ARG  52          1HH2      ARG  52  -8.597 -10.859  -1.743
  367    H    CYS  53           H        CYS  53  -2.755  -5.993   2.150
  368    HA   CYS  53           HA       CYS  53  -2.735  -3.931   3.076
  369   1HB   CYS  53          2HB       CYS  53  -5.362  -4.554   2.068
  370   2HB   CYS  53          1HB       CYS  53  -5.455  -3.358   3.361
  371    H    THR  54           H        THR  54  -2.124  -5.555   4.970
  372    HA   THR  54           HA       THR  54  -3.939  -5.626   7.155
  373    HB   THR  54           HB       THR  54  -1.420  -6.347   8.103
  374    HG1  THR  54           1HG      THR  54  -0.602  -7.642   6.360
  375   1HG2  THR  54          1HG2      THR  54  -3.143  -7.778   8.653
  376   2HG2  THR  54          2HG2      THR  54  -2.337  -8.710   7.390
  377   3HG2  THR  54          3HG2      THR  54  -3.796  -7.793   7.015
  378    H    CYS  55           H        CYS  55  -4.041  -3.111   7.092
  379    HA   CYS  55           HA       CYS  55  -1.931  -1.651   8.321
  380   1HB   CYS  55          2HB       CYS  55  -4.541  -0.514   8.829
  381   2HB   CYS  55          1HB       CYS  55  -3.220   0.114   7.848
  382    HG   CYS  55           HG       CYS  55  -5.598  -0.031   6.329
  383    HA   PRO  56           HA       PRO  56  -4.134  -2.523  12.458
  384   1HB   PRO  56          2HB       PRO  56  -6.431  -4.175  12.211
  385   2HB   PRO  56          1HB       PRO  56  -6.397  -2.452  12.583
  386   1HG   PRO  56          2HG       PRO  56  -7.437  -3.583  10.266
  387   2HG   PRO  56          1HG       PRO  56  -6.987  -1.883  10.471
  388   1HD   PRO  56          2HD       PRO  56  -5.466  -4.103   9.181
  389   2HD   PRO  56          1HD       PRO  56  -5.582  -2.390   8.717
  390    H    ALA  57           H        ALA  57  -2.219  -4.027  11.323
  391    HA   ALA  57           HA       ALA  57  -2.720  -6.815  11.287
  392   1HB   ALA  57          1HB       ALA  57  -0.930  -5.800   9.980
  393   2HB   ALA  57          2HB       ALA  57  -0.093  -5.345  11.464
  394   3HB   ALA  57          3HB       ALA  57  -0.301  -7.048  11.056
  395    H    LEU  58           H        LEU  58  -1.771  -4.593  13.796
  396    HA   LEU  58           HA       LEU  58  -0.760  -6.608  15.562
  397   1HB   LEU  58          2HB       LEU  58  -0.545  -3.912  15.492
  398   2HB   LEU  58          1HB       LEU  58  -1.783  -4.094  16.722
  399    HG   LEU  58           HG       LEU  58   0.011  -5.903  17.607
  400   1HD1  LEU  58          1HD1      LEU  58   1.422  -4.194  15.724
  401   2HD1  LEU  58          2HD1      LEU  58   2.133  -4.173  17.338
  402   3HD1  LEU  58          3HD1      LEU  58   1.925  -5.703  16.486
  403   1HD2  LEU  58          1HD2      LEU  58   0.613  -3.121  18.378
  404   2HD2  LEU  58          2HD2      LEU  58  -1.070  -3.626  18.533
  405   3HD2  LEU  58          3HD2      LEU  58   0.199  -4.515  19.377
  406    H    LYS  59           H        LYS  59  -2.530  -8.099  15.351
  407    HA   LYS  59           HA       LYS  59  -4.678  -7.539  17.272
  408   1HB   LYS  59          2HB       LYS  59  -5.304  -7.231  14.766
  409   2HB   LYS  59          1HB       LYS  59  -5.250  -8.987  14.699
  410   1HG   LYS  59          2HG       LYS  59  -6.802  -8.169  16.955
  411   2HG   LYS  59          1HG       LYS  59  -7.380  -7.347  15.503
  412   1HD   LYS  59          2HD       LYS  59  -7.859  -9.359  14.414
  413   2HD   LYS  59          1HD       LYS  59  -6.830 -10.296  15.499
  414   1HE   LYS  59          2HE       LYS  59  -9.287  -8.867  16.468
  415   2HE   LYS  59          1HE       LYS  59  -9.361 -10.495  15.796
  416   1HZ   LYS  59          1HZ       LYS  59  -7.691 -11.151  17.500
  417   2HZ   LYS  59          2HZ       LYS  59  -9.189 -10.675  18.140
  418   3HZ   LYS  59          3HZ       LYS  59  -7.868  -9.614  18.207
  419    H    GLY  60           H        GLY  60  -2.379  -9.675  15.914
  420   1HA   GLY  60          1HA       GLY  60  -1.664 -11.748  16.652
  421   2HA   GLY  60          2HA       GLY  60  -2.894 -11.685  17.910
  422    H    LYS  61           H        LYS  61  -4.798 -12.701  17.617
  423    HA   LYS  61           HA       LYS  61  -5.500 -13.647  14.955
  424   1HB   LYS  61          2HB       LYS  61  -4.710 -15.388  17.159
  425   2HB   LYS  61          1HB       LYS  61  -6.340 -15.733  16.597
  426   1HG   LYS  61          2HG       LYS  61  -3.936 -15.588  14.791
  427   2HG   LYS  61          1HG       LYS  61  -4.554 -17.080  15.500
  428   1HD   LYS  61          2HD       LYS  61  -5.876 -17.255  13.710
  429   2HD   LYS  61          1HD       LYS  61  -6.788 -15.890  14.357
  430   1HE   LYS  61          2HE       LYS  61  -6.109 -14.560  12.708
  431   2HE   LYS  61          1HE       LYS  61  -4.420 -14.977  12.991
  432   1HZ   LYS  61          1HZ       LYS  61  -4.720 -16.957  11.628
  433   2HZ   LYS  61          2HZ       LYS  61  -5.102 -15.553  10.752
  434   3HZ   LYS  61          3HZ       LYS  61  -6.343 -16.545  11.348
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -15.611  -8.594   9.903
    2   2H    GLY   1          2H        GLY   1 -16.522  -7.879   8.667
    3   3H    GLY   1          3H        GLY   1 -16.348  -7.087  10.155
    4   1HA   GLY   1          2HA       GLY   1 -14.316  -6.289   9.679
    5   2HA   GLY   1          1HA       GLY   1 -13.872  -7.741   8.792
    6    HA   PRO   2           HA       PRO   2 -16.039  -4.345   6.036
    7   1HB   PRO   2          2HB       PRO   2 -14.546  -2.071   6.183
    8   2HB   PRO   2          1HB       PRO   2 -15.978  -2.363   7.175
    9   1HG   PRO   2          2HG       PRO   2 -13.089  -2.683   7.881
   10   2HG   PRO   2          1HG       PRO   2 -14.407  -1.994   8.847
   11   1HD   PRO   2          2HD       PRO   2 -13.488  -4.504   9.235
   12   2HD   PRO   2          1HD       PRO   2 -15.190  -4.067   9.487
   13    H    LEU   3           H        LEU   3 -15.403  -5.270   4.189
   14    HA   LEU   3           HA       LEU   3 -12.647  -5.511   3.403
   15   1HB   LEU   3          2HB       LEU   3 -13.420  -6.603   1.478
   16   2HB   LEU   3          1HB       LEU   3 -14.540  -7.081   2.736
   17    HG   LEU   3           HG       LEU   3 -15.625  -4.778   1.486
   18   1HD1  LEU   3          1HD1      LEU   3 -14.053  -5.400  -0.372
   19   2HD1  LEU   3          2HD1      LEU   3 -14.943  -6.914  -0.522
   20   3HD1  LEU   3          3HD1      LEU   3 -15.761  -5.378  -0.810
   21   1HD2  LEU   3          1HD2      LEU   3 -17.191  -6.759   0.628
   22   2HD2  LEU   3          2HD2      LEU   3 -16.303  -7.630   1.879
   23   3HD2  LEU   3          3HD2      LEU   3 -17.213  -6.179   2.295
   24    H    GLY   4           H        GLY   4 -15.320  -3.341   2.824
   25   1HA   GLY   4          1HA       GLY   4 -13.778  -1.731   0.927
   26   2HA   GLY   4          2HA       GLY   4 -15.432  -1.428   1.452
   27    H    SER   5           H        SER   5 -12.152  -1.590   2.768
   28    HA   SER   5           HA       SER   5 -12.778  -0.016   5.034
   29   1HB   SER   5          2HB       SER   5  -9.949  -0.203   4.247
   30   2HB   SER   5          1HB       SER   5 -10.735  -0.682   5.752
   31    HG   SER   5           HG       SER   5 -11.449  -2.576   4.727
   32    H    ASP   6           H        ASP   6 -10.674   0.690   2.228
   33    HA   ASP   6           HA       ASP   6 -11.573   3.452   2.283
   34   1HB   ASP   6          2HB       ASP   6  -9.380   3.040   3.742
   35   2HB   ASP   6          1HB       ASP   6  -8.611   3.130   2.161
   36    H    HIS   7           H        HIS   7 -12.436   3.214   0.294
   37    HA   HIS   7           HA       HIS   7 -11.046   1.912  -1.840
   38   1HB   HIS   7          2HB       HIS   7 -13.161   3.447  -2.928
   39   2HB   HIS   7          1HB       HIS   7 -13.137   1.718  -2.610
   40    HD2  HIS   7           2HD      HIS   7 -14.833   4.912  -1.378
   41    HE1  HIS   7           1HE      HIS   7 -15.912   1.781   1.251
   42    HE2  HIS   7           2HE      HIS   7 -16.514   4.100   0.425
   43    H    HIS   8           H        HIS   8 -10.405   2.840  -3.824
   44    HA   HIS   8           HA       HIS   8  -9.365   4.307  -5.192
   45   1HB   HIS   8          2HB       HIS   8 -11.315   5.941  -3.860
   46   2HB   HIS   8          1HB       HIS   8  -9.834   6.866  -4.078
   47    HD2  HIS   8           2HD      HIS   8  -8.900   6.206  -6.991
   48    HE1  HIS   8           1HE      HIS   8 -12.915   6.870  -8.159
   49    HE2  HIS   8           2HE      HIS   8 -10.545   6.509  -8.981
   50    H    MET   9           H        MET   9  -9.205   5.899  -2.024
   51    HA   MET   9           HA       MET   9  -7.500   6.523  -0.687
   52   1HB   MET   9          2HB       MET   9  -6.642   3.968  -1.850
   53   2HB   MET   9          1HB       MET   9  -5.331   4.958  -1.219
   54   1HG   MET   9          2HG       MET   9  -6.925   5.177   0.848
   55   2HG   MET   9          1HG       MET   9  -7.599   3.680   0.207
   56   1HE   MET   9          1HE       MET   9  -5.973   4.998   2.643
   57   2HE   MET   9          2HE       MET   9  -4.979   3.710   3.326
   58   3HE   MET   9          3HE       MET   9  -4.235   4.978   2.349
   59    H    GLU  10           H        GLU  10  -4.786   6.643  -0.962
   60    HA   GLU  10           HA       GLU  10  -3.771   7.698  -3.329
   61   1HB   GLU  10          2HB       GLU  10  -5.618   9.463  -2.361
   62   2HB   GLU  10          1HB       GLU  10  -4.149  10.059  -1.602
   63   1HG   GLU  10          2HG       GLU  10  -3.867  11.210  -3.487
   64   2HG   GLU  10          1HG       GLU  10  -3.325   9.678  -4.170
   65    H    PHE  11           H        PHE  11  -3.810   7.808   0.176
   66    HA   PHE  11           HA       PHE  11  -0.893   8.138   0.176
   67   1HB   PHE  11          2HB       PHE  11  -1.115   9.268   2.322
   68   2HB   PHE  11          1HB       PHE  11  -2.133  10.059   1.123
   69    HD1  PHE  11           1HD      PHE  11  -4.627   9.065   1.050
   70    HD2  PHE  11           2HD      PHE  11  -2.008   8.933   4.400
   71    HE1  PHE  11           1HE      PHE  11  -6.561   8.817   2.548
   72    HE2  PHE  11           2HE      PHE  11  -3.938   8.689   5.905
   73    HZ   PHE  11           HZ       PHE  11  -6.217   8.627   4.979
   74    H    CYS  12           H        CYS  12   0.232   7.170   2.048
   75    HA   CYS  12           HA       CYS  12  -0.324   4.430   2.325
   76   1HB   CYS  12          2HB       CYS  12   1.520   6.336   3.717
   77   2HB   CYS  12          1HB       CYS  12   1.333   4.700   4.339
   78    HG   CYS  12           HG       CYS  12   3.434   5.667   2.182
   79    H    ARG  13           H        ARG  13  -1.165   3.214   3.995
   80    HA   ARG  13           HA       ARG  13  -3.216   4.413   5.548
   81   1HB   ARG  13          2HB       ARG  13  -2.134   1.681   5.170
   82   2HB   ARG  13          1HB       ARG  13  -2.989   1.976   6.678
   83   1HG   ARG  13          2HG       ARG  13  -4.998   2.408   5.605
   84   2HG   ARG  13          1HG       ARG  13  -4.209   2.769   4.069
   85   1HD   ARG  13          2HD       ARG  13  -4.659   0.686   3.441
   86   2HD   ARG  13          1HD       ARG  13  -3.490   0.141   4.644
   87    HE   ARG  13           HE       ARG  13  -6.354   0.512   5.270
   88   1HH1  ARG  13          2HH1      ARG  13  -3.474  -1.464   5.220
   89   2HH1  ARG  13          1HH1      ARG  13  -4.105  -2.648   6.335
   90   1HH2  ARG  13          2HH2      ARG  13  -7.204  -1.027   6.729
   91   2HH2  ARG  13          1HH2      ARG  13  -6.222  -2.386   7.202
   92    H    VAL  14           H        VAL  14   0.125   3.790   6.171
   93    HA   VAL  14           HA       VAL  14  -0.261   4.336   9.044
   94    HB   VAL  14           HB       VAL  14   2.356   3.335   8.042
   95   1HG1  VAL  14          1HG1      VAL  14   1.998   1.963  10.219
   96   2HG1  VAL  14          2HG1      VAL  14   2.380   3.682  10.318
   97   3HG1  VAL  14          3HG1      VAL  14   0.717   3.135  10.528
   98   1HG2  VAL  14          1HG2      VAL  14  -0.152   1.683   8.122
   99   2HG2  VAL  14          2HG2      VAL  14   1.050   1.801   6.835
  100   3HG2  VAL  14          3HG2      VAL  14   1.444   0.962   8.340
  101    H    CYS  15           H        CYS  15   2.333   4.742   6.677
  102    HA   CYS  15           HA       CYS  15   3.303   7.133   7.872
  103   1HB   CYS  15          2HB       CYS  15   4.588   6.725   5.442
  104   2HB   CYS  15          1HB       CYS  15   5.108   6.149   7.026
  105    H    LYS  16           H        LYS  16   0.652   6.831   6.172
  106    HA   LYS  16           HA       LYS  16  -0.657   8.192   4.842
  107   1HB   LYS  16          2HB       LYS  16   0.507  10.372   6.540
  108   2HB   LYS  16          1HB       LYS  16  -1.158  10.146   6.023
  109   1HG   LYS  16          2HG       LYS  16   0.115   8.138   7.826
  110   2HG   LYS  16          1HG       LYS  16  -0.471   9.666   8.485
  111   1HD   LYS  16          2HD       LYS  16  -2.687   9.204   7.880
  112   2HD   LYS  16          1HD       LYS  16  -2.206   7.936   6.749
  113   1HE   LYS  16          2HE       LYS  16  -2.016   6.375   8.371
  114   2HE   LYS  16          1HE       LYS  16  -1.416   7.529   9.560
  115   1HZ   LYS  16          1HZ       LYS  16  -3.796   6.461   9.749
  116   2HZ   LYS  16          2HZ       LYS  16  -4.214   7.755   8.735
  117   3HZ   LYS  16          3HZ       LYS  16  -3.500   8.059  10.241
  118    H    ASP  17           H        ASP  17   1.965   7.942   3.565
  119    HA   ASP  17           HA       ASP  17   2.415  10.630   2.507
  120   1HB   ASP  17          2HB       ASP  17   4.370   9.518   1.373
  121   2HB   ASP  17          1HB       ASP  17   4.415   9.449   3.133
  122    H    GLY  18           H        GLY  18   2.448  11.029   0.233
  123   1HA   GLY  18          1HA       GLY  18   1.057   9.006  -1.400
  124   2HA   GLY  18          2HA       GLY  18   0.478  10.670  -1.374
  125    H    GLY  19           H        GLY  19   0.926  10.155  -3.779
  126   1HA   GLY  19          1HA       GLY  19   2.139  11.204  -5.502
  127   2HA   GLY  19          2HA       GLY  19   3.494  11.405  -4.402
  128    H    GLU  20           H        GLU  20   5.169  10.081  -4.630
  129    HA   GLU  20           HA       GLU  20   5.043   7.966  -6.592
  130   1HB   GLU  20          2HB       GLU  20   7.167   9.415  -5.123
  131   2HB   GLU  20          1HB       GLU  20   7.537   7.755  -5.573
  132   1HG   GLU  20          2HG       GLU  20   7.120  10.143  -7.276
  133   2HG   GLU  20          1HG       GLU  20   8.308   8.847  -7.412
  134    H    LEU  21           H        LEU  21   3.402   6.850  -5.184
  135    HA   LEU  21           HA       LEU  21   4.815   4.950  -3.457
  136   1HB   LEU  21          2HB       LEU  21   3.454   5.237  -1.677
  137   2HB   LEU  21          1HB       LEU  21   3.310   6.846  -2.348
  138    HG   LEU  21           HG       LEU  21   1.320   4.701  -3.028
  139   1HD1  LEU  21          1HD1      LEU  21  -0.034   5.915  -1.182
  140   2HD1  LEU  21          2HD1      LEU  21   1.117   4.659  -0.724
  141   3HD1  LEU  21          3HD1      LEU  21   1.552   6.358  -0.554
  142   1HD2  LEU  21          1HD2      LEU  21   0.411   7.429  -2.718
  143   2HD2  LEU  21          2HD2      LEU  21   1.709   7.298  -3.904
  144   3HD2  LEU  21          3HD2      LEU  21   0.244   6.333  -4.092
  145    H    LEU  22           H        LEU  22   3.506   2.923  -3.121
  146    HA   LEU  22           HA       LEU  22   2.476   2.178  -5.756
  147   1HB   LEU  22          2HB       LEU  22   4.003   0.829  -3.623
  148   2HB   LEU  22          1HB       LEU  22   2.829  -0.171  -4.458
  149    HG   LEU  22           HG       LEU  22   4.215   1.182  -6.484
  150   1HD1  LEU  22          1HD1      LEU  22   5.907   0.689  -4.138
  151   2HD1  LEU  22          2HD1      LEU  22   6.532   0.051  -5.659
  152   3HD1  LEU  22          3HD1      LEU  22   6.151   1.767  -5.513
  153   1HD2  LEU  22          1HD2      LEU  22   3.298  -1.111  -6.513
  154   2HD2  LEU  22          2HD2      LEU  22   4.962  -1.024  -7.093
  155   3HD2  LEU  22          3HD2      LEU  22   4.625  -1.624  -5.470
  156    H    CYS  23           H        CYS  23   0.613   1.004  -6.050
  157    HA   CYS  23           HA       CYS  23  -1.151   0.728  -3.706
  158   1HB   CYS  23          2HB       CYS  23  -2.202   1.211  -6.487
  159   2HB   CYS  23          1HB       CYS  23  -3.044   1.387  -4.950
  160    HG   CYS  23           HG       CYS  23  -2.781   3.934  -4.972
  161    H    CYS  24           H        CYS  24  -2.484  -1.132  -3.701
  162    HA   CYS  24           HA       CYS  24  -1.275  -3.454  -4.622
  163   1HB   CYS  24          2HB       CYS  24  -2.941  -3.203  -2.727
  164   2HB   CYS  24          1HB       CYS  24  -4.209  -3.203  -3.948
  165    H    ASP  25           H        ASP  25  -2.204  -5.108  -6.032
  166    HA   ASP  25           HA       ASP  25  -2.807  -4.012  -8.626
  167   1HB   ASP  25          2HB       ASP  25  -1.348  -6.021  -8.285
  168   2HB   ASP  25          1HB       ASP  25  -2.773  -6.914  -7.766
  169    H    THR  26           H        THR  26  -4.526  -5.714  -6.086
  170    HA   THR  26           HA       THR  26  -6.967  -5.705  -7.709
  171    HB   THR  26           HB       THR  26  -7.870  -7.134  -5.806
  172    HG1  THR  26           1HG      THR  26  -6.450  -6.764  -4.155
  173   1HG2  THR  26          1HG2      THR  26  -6.641  -9.156  -6.548
  174   2HG2  THR  26          2HG2      THR  26  -5.493  -8.114  -7.387
  175   3HG2  THR  26          3HG2      THR  26  -7.184  -8.147  -7.890
  176    H    CYS  27           H        CYS  27  -5.672  -4.570  -4.631
  177    HA   CYS  27           HA       CYS  27  -8.195  -3.170  -4.123
  178   1HB   CYS  27          2HB       CYS  27  -6.144  -3.342  -2.000
  179   2HB   CYS  27          1HB       CYS  27  -7.887  -3.584  -1.910
  180    HA   PRO  28           HA       PRO  28  -6.182   0.710  -4.503
  181   1HB   PRO  28          2HB       PRO  28  -7.742   2.310  -3.037
  182   2HB   PRO  28          1HB       PRO  28  -8.359   1.474  -4.467
  183   1HG   PRO  28          2HG       PRO  28  -8.766   0.853  -1.584
  184   2HG   PRO  28          1HG       PRO  28  -9.885   0.666  -2.944
  185   1HD   PRO  28          2HD       PRO  28  -8.341  -1.364  -1.784
  186   2HD   PRO  28          1HD       PRO  28  -9.170  -1.447  -3.349
  187    H    SER  29           H        SER  29  -5.751  -0.942  -1.692
  188    HA   SER  29           HA       SER  29  -4.889   0.971   0.160
  189   1HB   SER  29          2HB       SER  29  -3.301  -1.470   0.224
  190   2HB   SER  29          1HB       SER  29  -4.443  -0.841   1.413
  191    HG   SER  29           HG       SER  29  -4.769  -2.918  -0.141
  192    H    SER  30           H        SER  30  -3.275   2.354   0.074
  193    HA   SER  30           HA       SER  30  -1.139   1.881  -1.882
  194   1HB   SER  30          2HB       SER  30  -1.512   4.606  -0.823
  195   2HB   SER  30          1HB       SER  30  -1.302   4.054  -2.487
  196    HG   SER  30           HG       SER  30  -3.642   3.147  -1.695
  197    H    TYR  31           H        TYR  31   0.967   1.957  -1.313
  198    HA   TYR  31           HA       TYR  31   1.707   2.819   1.387
  199   1HB   TYR  31          2HB       TYR  31   2.300   0.074   0.260
  200   2HB   TYR  31          1HB       TYR  31   3.038   0.733   1.714
  201    HD1  TYR  31           1HD      TYR  31   1.354   1.468   3.606
  202    HD2  TYR  31           2HD      TYR  31   0.400  -1.210   0.435
  203    HE1  TYR  31           1HE      TYR  31  -0.487   0.540   4.942
  204    HE2  TYR  31           2HE      TYR  31  -1.438  -2.140   1.768
  205    HH   TYR  31           HH       TYR  31  -1.710  -1.981   4.858
  206    H    HIS  32           H        HIS  32   4.236   2.179   1.544
  207    HA   HIS  32           HA       HIS  32   5.669   3.541  -0.613
  208   1HB   HIS  32          2HB       HIS  32   6.415   2.419   2.093
  209   2HB   HIS  32          1HB       HIS  32   7.661   2.700   0.900
  210    HD2  HIS  32           2HD      HIS  32   8.610   5.219   0.757
  211    HE1  HIS  32           1HE      HIS  32   6.121   6.771   3.810
  212    HE2  HIS  32           2HE      HIS  32   8.122   7.239   2.308
  213    H    ILE  33           H        ILE  33   7.533   1.174   0.765
  214    HA   ILE  33           HA       ILE  33   6.612  -0.991  -0.975
  215    HB   ILE  33           HB       ILE  33   8.874  -1.628  -1.583
  216   1HG1  ILE  33          2HG1      ILE  33  10.204   0.846  -0.775
  217   1HG2  ILE  33          1HG2      ILE  33   7.759   0.982  -2.321
  218   2HG2  ILE  33          2HG2      ILE  33   9.462   0.760  -2.717
  219   3HG2  ILE  33          3HG2      ILE  33   8.257  -0.370  -3.338
  220   1HD1  ILE  33          1HD1      ILE  33  11.057  -1.868   0.090
  221   2HD1  ILE  33          2HD1      ILE  33  11.169  -1.424  -1.613
  222   3HD1  ILE  33          3HD1      ILE  33  12.028  -0.477  -0.397
  223    H    HIS  34           H        HIS  34   6.894  -0.077   2.068
  224    HA   HIS  34           HA       HIS  34   7.488  -2.742   3.077
  225   1HB   HIS  34          2HB       HIS  34   9.239  -1.898   4.620
  226   2HB   HIS  34          1HB       HIS  34   9.702  -1.765   2.928
  227    HD2  HIS  34           2HD      HIS  34   9.525   0.363   6.041
  228    HE1  HIS  34           1HE      HIS  34   9.876   3.025   2.771
  229    HE2  HIS  34           2HE      HIS  34  10.236   2.739   5.265
  230    H    CYS  35           H        CYS  35   5.293  -0.553   3.135
  231    HA   CYS  35           HA       CYS  35   5.123   0.084   5.945
  232   1HB   CYS  35          2HB       CYS  35   2.843   0.506   4.075
  233   2HB   CYS  35          1HB       CYS  35   3.515   1.590   5.296
  234    H    LEU  36           H        LEU  36   4.527  -2.635   4.292
  235    HA   LEU  36           HA       LEU  36   2.193  -3.412   5.902
  236   1HB   LEU  36          2HB       LEU  36   1.812  -5.118   4.085
  237   2HB   LEU  36          1HB       LEU  36   1.539  -3.448   3.631
  238    HG   LEU  36           HG       LEU  36   4.201  -4.680   3.046
  239   1HD1  LEU  36          1HD1      LEU  36   3.334  -6.248   1.740
  240   2HD1  LEU  36          2HD1      LEU  36   1.695  -5.680   2.057
  241   3HD1  LEU  36          3HD1      LEU  36   2.637  -4.972   0.745
  242   1HD2  LEU  36          1HD2      LEU  36   2.560  -2.813   1.360
  243   2HD2  LEU  36          2HD2      LEU  36   3.562  -2.227   2.689
  244   3HD2  LEU  36          3HD2      LEU  36   4.303  -3.083   1.337
  245    H    ARG  37           H        ARG  37   2.181  -6.047   5.784
  246    HA   ARG  37           HA       ARG  37   4.133  -6.861   7.592
  247   1HB   ARG  37          2HB       ARG  37   2.546  -8.691   5.785
  248   2HB   ARG  37          1HB       ARG  37   3.311  -9.122   7.308
  249   1HG   ARG  37          2HG       ARG  37   1.673  -7.038   8.017
  250   2HG   ARG  37          1HG       ARG  37   0.730  -7.890   6.792
  251   1HD   ARG  37          2HD       ARG  37   2.009  -9.734   8.608
  252   2HD   ARG  37          1HD       ARG  37   1.015  -8.570   9.479
  253    HE   ARG  37           HE       ARG  37  -0.236  -9.853   7.191
  254   1HH1  ARG  37          2HH1      ARG  37   0.293  -9.862  10.656
  255   2HH1  ARG  37          1HH1      ARG  37  -1.136 -10.795  11.010
  256   1HH2  ARG  37          2HH2      ARG  37  -2.135 -11.064   7.644
  257   2HH2  ARG  37          1HH2      ARG  37  -2.533 -11.457   9.293
  258    HA   PRO  38           HA       PRO  38   6.674  -8.968   4.181
  259   1HB   PRO  38          2HB       PRO  38   5.515  -8.730   1.576
  260   2HB   PRO  38          1HB       PRO  38   5.717 -10.190   2.543
  261   1HG   PRO  38          2HG       PRO  38   3.286  -9.060   1.899
  262   2HG   PRO  38          1HG       PRO  38   3.566 -10.152   3.264
  263   1HD   PRO  38          2HD       PRO  38   3.366  -7.167   3.234
  264   2HD   PRO  38          1HD       PRO  38   2.756  -8.329   4.433
  265    H    ALA  39           H        ALA  39   8.007  -7.203   4.542
  266    HA   ALA  39           HA       ALA  39   7.788  -4.824   2.905
  267   1HB   ALA  39          1HB       ALA  39  10.092  -5.504   4.705
  268   2HB   ALA  39          2HB       ALA  39   9.491  -3.915   4.233
  269   3HB   ALA  39          3HB       ALA  39   8.556  -4.918   5.341
  270    H    LEU  40           H        LEU  40   9.189  -4.201   1.279
  271    HA   LEU  40           HA       LEU  40  10.731  -6.402   0.110
  272   1HB   LEU  40          2HB       LEU  40   9.383  -3.972  -0.975
  273   2HB   LEU  40          1HB       LEU  40  10.764  -4.618  -1.844
  274    HG   LEU  40           HG       LEU  40   9.453  -6.880  -1.695
  275   1HD1  LEU  40          1HD1      LEU  40   7.610  -6.483  -0.394
  276   2HD1  LEU  40          2HD1      LEU  40   7.408  -4.833  -0.984
  277   3HD1  LEU  40          3HD1      LEU  40   6.942  -6.196  -2.001
  278   1HD2  LEU  40          1HD2      LEU  40  10.015  -5.689  -3.756
  279   2HD2  LEU  40          2HD2      LEU  40   8.394  -6.379  -3.831
  280   3HD2  LEU  40          3HD2      LEU  40   8.604  -4.654  -3.542
  281    H    TYR  41           H        TYR  41  12.764  -5.751  -1.060
  282    HA   TYR  41           HA       TYR  41  14.379  -4.131   0.759
  283   1HB   TYR  41          2HB       TYR  41  15.401  -5.606  -1.662
  284   2HB   TYR  41          1HB       TYR  41  16.278  -5.162  -0.202
  285    HD1  TYR  41           1HD      TYR  41  14.784  -7.813  -1.913
  286    HD2  TYR  41           2HD      TYR  41  15.276  -6.267   2.021
  287    HE1  TYR  41           1HE      TYR  41  14.334 -10.046  -0.987
  288    HE2  TYR  41           2HE      TYR  41  14.833  -8.498   2.957
  289    HH   TYR  41           HH       TYR  41  13.342 -10.803   1.579
  290    H    GLU  42           H        GLU  42  13.377  -4.282  -2.599
  291    HA   GLU  42           HA       GLU  42  14.154  -1.465  -2.912
  292   1HB   GLU  42          2HB       GLU  42  14.967  -3.799  -4.517
  293   2HB   GLU  42          1HB       GLU  42  14.369  -2.437  -5.456
  294   1HG   GLU  42          2HG       GLU  42  16.008  -1.064  -3.966
  295   2HG   GLU  42          1HG       GLU  42  16.779  -2.628  -3.717
  296    H    VAL  43           H        VAL  43  13.038  -0.587  -4.993
  297    HA   VAL  43           HA       VAL  43  10.223  -0.857  -4.727
  298    HB   VAL  43           HB       VAL  43  11.798   0.272  -7.054
  299   1HG1  VAL  43          1HG1      VAL  43   9.158  -0.337  -7.053
  300   2HG1  VAL  43          2HG1      VAL  43   9.119   1.318  -6.446
  301   3HG1  VAL  43          3HG1      VAL  43   9.879   0.965  -7.998
  302   1HG2  VAL  43          1HG2      VAL  43  10.516   1.839  -4.835
  303   2HG2  VAL  43          2HG2      VAL  43  12.186   1.277  -4.747
  304   3HG2  VAL  43          3HG2      VAL  43  11.694   2.384  -6.030
  305    HA   PRO  44           HA       PRO  44   9.734  -4.791  -6.658
  306   1HB   PRO  44          2HB       PRO  44   7.081  -4.327  -7.472
  307   2HB   PRO  44          1HB       PRO  44   7.602  -5.061  -5.954
  308   1HG   PRO  44          2HG       PRO  44   6.783  -2.262  -6.524
  309   2HG   PRO  44          1HG       PRO  44   6.547  -3.231  -5.058
  310   1HD   PRO  44          2HD       PRO  44   8.395  -1.295  -5.166
  311   2HD   PRO  44          1HD       PRO  44   8.694  -2.808  -4.285
  312    H    ASP  45           H        ASP  45   9.908  -5.659  -8.640
  313    HA   ASP  45           HA       ASP  45   9.758  -3.811 -10.930
  314   1HB   ASP  45          2HB       ASP  45  11.953  -4.568 -10.941
  315   2HB   ASP  45          1HB       ASP  45  11.521  -6.147 -10.294
  316    H    GLY  46           H        GLY  46   8.887  -6.997  -9.734
  317   1HA   GLY  46          1HA       GLY  46   7.402  -7.608 -12.164
  318   2HA   GLY  46          2HA       GLY  46   7.635  -8.673 -10.785
  319    H    GLU  47           H        GLU  47   6.159  -8.682  -9.135
  320    HA   GLU  47           HA       GLU  47   3.763  -7.031  -9.597
  321   1HB   GLU  47          2HB       GLU  47   3.994  -9.808  -8.426
  322   2HB   GLU  47          1HB       GLU  47   2.500  -8.887  -8.535
  323   1HG   GLU  47          2HG       GLU  47   2.164  -9.640 -10.580
  324   2HG   GLU  47          1HG       GLU  47   3.698  -8.950 -11.108
  325    H    TRP  48           H        TRP  48   2.408  -6.749  -7.631
  326    HA   TRP  48           HA       TRP  48   3.645  -6.942  -5.066
  327   1HB   TRP  48          2HB       TRP  48   4.715  -4.863  -5.946
  328   2HB   TRP  48          1HB       TRP  48   3.111  -4.155  -6.126
  329    HD1  TRP  48           HD       TRP  48   5.468  -5.452  -3.353
  330    HE1  TRP  48           1HE      TRP  48   4.858  -4.255  -1.157
  331    HE3  TRP  48           3HE      TRP  48   1.398  -2.827  -4.968
  332    HZ2  TRP  48           2HZ      TRP  48   2.884  -2.450  -0.230
  333    HZ3  TRP  48           3HZ      TRP  48   0.201  -1.397  -3.365
  334    HH2  TRP  48           HH       TRP  48   0.933  -1.209  -1.049
  335    H    GLN  49           H        GLN  49   2.133  -7.009  -3.493
  336    HA   GLN  49           HA       GLN  49  -0.590  -6.104  -4.115
  337   1HB   GLN  49          2HB       GLN  49   0.281  -8.873  -3.337
  338   2HB   GLN  49          1HB       GLN  49  -1.322  -8.293  -2.903
  339   1HG   GLN  49          2HG       GLN  49  -0.919  -7.713  -5.641
  340   2HG   GLN  49          1HG       GLN  49  -0.421  -9.381  -5.366
  341   1HE2  GLN  49          1HE2      GLN  49  -3.048  -7.137  -4.558
  342   2HE2  GLN  49          2HE2      GLN  49  -4.318  -8.308  -4.712
  343    H    CYS  50           H        CYS  50  -1.757  -5.402  -2.368
  344    HA   CYS  50           HA       CYS  50  -0.287  -4.635  -0.040
  345   1HB   CYS  50          2HB       CYS  50  -2.140  -3.350   0.491
  346   2HB   CYS  50          1HB       CYS  50  -2.327  -3.498  -1.250
  347    HA   PRO  51           HA       PRO  51  -1.381  -8.050   2.579
  348   1HB   PRO  51          2HB       PRO  51  -1.381  -6.992   5.023
  349   2HB   PRO  51          1HB       PRO  51   0.085  -6.977   4.034
  350   1HG   PRO  51          2HG       PRO  51  -1.868  -4.774   4.559
  351   2HG   PRO  51          1HG       PRO  51  -0.098  -4.708   4.483
  352   1HD   PRO  51          2HD       PRO  51  -1.811  -4.011   2.413
  353   2HD   PRO  51          1HD       PRO  51  -0.101  -4.446   2.221
  354    H    ARG  52           H        ARG  52  -3.666  -5.823   1.854
  355    HA   ARG  52           HA       ARG  52  -5.579  -6.485   3.924
  356   1HB   ARG  52          2HB       ARG  52  -5.169  -4.319   2.193
  357   2HB   ARG  52          1HB       ARG  52  -6.694  -5.037   1.693
  358   1HG   ARG  52          2HG       ARG  52  -7.454  -4.898   4.063
  359   2HG   ARG  52          1HG       ARG  52  -5.974  -4.005   4.427
  360   1HD   ARG  52          2HD       ARG  52  -7.526  -2.314   4.056
  361   2HD   ARG  52          1HD       ARG  52  -6.705  -2.450   2.503
  362    HE   ARG  52           HE       ARG  52  -9.453  -3.194   3.112
  363   1HH1  ARG  52          2HH1      ARG  52  -6.839  -3.068   0.786
  364   2HH1  ARG  52          1HH1      ARG  52  -7.836  -3.534  -0.556
  365   1HH2  ARG  52          2HH2      ARG  52 -10.783  -3.782   1.333
  366   2HH2  ARG  52          1HH2      ARG  52 -10.076  -3.934  -0.254
  367    H    CYS  53           H        CYS  53  -4.726  -7.716   0.844
  368    HA   CYS  53           HA       CYS  53  -7.362  -8.904   0.434
  369   1HB   CYS  53          2HB       CYS  53  -5.952  -9.823  -1.631
  370   2HB   CYS  53          1HB       CYS  53  -6.644  -8.205  -1.618
  371    H    THR  54           H        THR  54  -4.333  -9.606   1.765
  372    HA   THR  54           HA       THR  54  -4.319 -12.416   1.240
  373    HB   THR  54           HB       THR  54  -2.570 -11.637   3.396
  374    HG1  THR  54           1HG      THR  54  -2.330 -10.097   0.996
  375   1HG2  THR  54          1HG2      THR  54  -1.798 -12.178   0.543
  376   2HG2  THR  54          2HG2      THR  54  -2.385 -13.469   1.590
  377   3HG2  THR  54          3HG2      THR  54  -0.922 -12.583   2.019
  378    H    CYS  55           H        CYS  55  -5.404 -10.380   3.867
  379    HA   CYS  55           HA       CYS  55  -5.559 -12.419   5.828
  380   1HB   CYS  55          2HB       CYS  55  -7.042  -9.793   5.656
  381   2HB   CYS  55          1HB       CYS  55  -6.985 -10.832   7.077
  382    HG   CYS  55           HG       CYS  55  -3.904 -10.407   6.300
  383    HA   PRO  56           HA       PRO  56 -10.172 -12.935   4.584
  384   1HB   PRO  56          2HB       PRO  56 -11.060 -11.846   2.286
  385   2HB   PRO  56          1HB       PRO  56 -11.080 -10.955   3.814
  386   1HG   PRO  56          2HG       PRO  56  -9.118 -10.802   1.557
  387   2HG   PRO  56          1HG       PRO  56  -9.839  -9.487   2.502
  388   1HD   PRO  56          2HD       PRO  56  -7.339 -10.460   2.962
  389   2HD   PRO  56          1HD       PRO  56  -8.357  -9.749   4.231
  390    H    ALA  57           H        ALA  57 -10.891 -14.729   3.452
  391    HA   ALA  57           HA       ALA  57  -8.976 -16.146   1.894
  392   1HB   ALA  57          1HB       ALA  57 -11.841 -16.666   2.637
  393   2HB   ALA  57          2HB       ALA  57 -10.948 -17.745   1.565
  394   3HB   ALA  57          3HB       ALA  57 -10.387 -17.478   3.216
  395    H    LEU  58           H        LEU  58  -9.845 -17.234  -0.237
  396    HA   LEU  58           HA       LEU  58 -10.245 -15.105  -2.121
  397   1HB   LEU  58          2HB       LEU  58 -10.566 -17.322  -3.628
  398   2HB   LEU  58          1HB       LEU  58  -9.012 -16.618  -3.229
  399    HG   LEU  58           HG       LEU  58  -9.713 -18.412  -1.135
  400   1HD1  LEU  58          1HD1      LEU  58 -10.879 -20.011  -2.140
  401   2HD1  LEU  58          2HD1      LEU  58 -10.703 -19.235  -3.713
  402   3HD1  LEU  58          3HD1      LEU  58  -9.456 -20.339  -3.127
  403   1HD2  LEU  58          1HD2      LEU  58  -7.554 -17.925  -3.048
  404   2HD2  LEU  58          2HD2      LEU  58  -7.484 -18.360  -1.340
  405   3HD2  LEU  58          3HD2      LEU  58  -7.712 -19.613  -2.559
  406    H    LYS  59           H        LYS  59 -12.247 -14.526  -0.937
  407    HA   LYS  59           HA       LYS  59 -14.550 -15.006  -2.461
  408   1HB   LYS  59          2HB       LYS  59 -14.413 -17.217  -1.238
  409   2HB   LYS  59          1HB       LYS  59 -14.622 -16.328   0.264
  410   1HG   LYS  59          2HG       LYS  59 -16.687 -15.587  -1.572
  411   2HG   LYS  59          1HG       LYS  59 -16.611 -17.345  -1.439
  412   1HD   LYS  59          2HD       LYS  59 -16.367 -16.551   1.170
  413   2HD   LYS  59          1HD       LYS  59 -17.474 -15.343   0.514
  414   1HE   LYS  59          2HE       LYS  59 -19.121 -16.819   0.725
  415   2HE   LYS  59          1HE       LYS  59 -18.333 -17.807  -0.505
  416   1HZ   LYS  59          1HZ       LYS  59 -16.937 -18.414   1.722
  417   2HZ   LYS  59          2HZ       LYS  59 -18.224 -19.328   1.103
  418   3HZ   LYS  59          3HZ       LYS  59 -18.503 -18.204   2.341
  419    H    GLY  60           H        GLY  60 -13.035 -14.095   0.534
  420   1HA   GLY  60          1HA       GLY  60 -13.405 -11.598   0.946
  421   2HA   GLY  60          2HA       GLY  60 -15.101 -12.061   1.010
  422    H    LYS  61           H        LYS  61 -15.154 -11.263   3.179
  423    HA   LYS  61           HA       LYS  61 -14.486 -13.353   5.069
  424   1HB   LYS  61          2HB       LYS  61 -13.014 -10.843   4.936
  425   2HB   LYS  61          1HB       LYS  61 -13.772 -11.083   6.505
  426   1HG   LYS  61          2HG       LYS  61 -12.406 -13.451   5.466
  427   2HG   LYS  61          1HG       LYS  61 -11.347 -12.070   5.758
  428   1HD   LYS  61          2HD       LYS  61 -11.293 -12.905   7.853
  429   2HD   LYS  61          1HD       LYS  61 -12.815 -12.027   8.017
  430   1HE   LYS  61          2HE       LYS  61 -13.128 -14.249   8.865
  431   2HE   LYS  61          1HE       LYS  61 -14.013 -14.104   7.349
  432   1HZ   LYS  61          1HZ       LYS  61 -12.030 -15.961   8.034
  433   2HZ   LYS  61          2HZ       LYS  61 -11.432 -15.011   6.765
  434   3HZ   LYS  61          3HZ       LYS  61 -12.901 -15.835   6.583
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -7.077  14.693 -12.467
    2   2H    GLY   1          2H        GLY   1  -6.785  13.024 -12.455
    3   3H    GLY   1          3H        GLY   1  -8.272  13.616 -13.004
    4   1HA   GLY   1          2HA       GLY   1  -7.502  14.141 -15.029
    5   2HA   GLY   1          1HA       GLY   1  -5.946  14.649 -14.384
    6    HA   PRO   2           HA       PRO   2  -5.476  10.604 -16.706
    7   1HB   PRO   2          2HB       PRO   2  -2.951  11.964 -17.464
    8   2HB   PRO   2          1HB       PRO   2  -4.101  11.088 -18.480
    9   1HG   PRO   2          2HG       PRO   2  -3.965  13.745 -18.567
   10   2HG   PRO   2          1HG       PRO   2  -5.528  12.909 -18.662
   11   1HD   PRO   2          2HD       PRO   2  -4.266  14.315 -16.337
   12   2HD   PRO   2          1HD       PRO   2  -5.961  14.321 -16.873
   13    H    LEU   3           H        LEU   3  -2.749  12.436 -15.285
   14    HA   LEU   3           HA       LEU   3  -1.558  10.004 -14.284
   15   1HB   LEU   3          2HB       LEU   3  -0.618  12.548 -14.914
   16   2HB   LEU   3          1HB       LEU   3  -0.489  12.461 -13.167
   17    HG   LEU   3           HG       LEU   3   0.621  10.272 -14.897
   18   1HD1  LEU   3          1HD1      LEU   3   2.315  12.539 -13.958
   19   2HD1  LEU   3          2HD1      LEU   3   2.620  11.366 -15.239
   20   3HD1  LEU   3          3HD1      LEU   3   1.446  12.661 -15.488
   21   1HD2  LEU   3          1HD2      LEU   3   1.669  11.269 -12.278
   22   2HD2  LEU   3          2HD2      LEU   3   0.304  10.154 -12.341
   23   3HD2  LEU   3          3HD2      LEU   3   1.860   9.682 -13.023
   24    H    GLY   4           H        GLY   4  -3.001  12.922 -12.848
   25   1HA   GLY   4          1HA       GLY   4  -2.960  11.823 -10.188
   26   2HA   GLY   4          2HA       GLY   4  -3.768  13.300 -10.700
   27    H    SER   5           H        SER   5  -4.118   9.974  -9.976
   28    HA   SER   5           HA       SER   5  -6.912  10.026 -10.904
   29   1HB   SER   5          2HB       SER   5  -6.000   7.399 -10.141
   30   2HB   SER   5          1HB       SER   5  -6.590   7.955 -11.707
   31    HG   SER   5           HG       SER   5  -4.200   8.961 -11.504
   32    H    ASP   6           H        ASP   6  -8.472  10.045  -9.418
   33    HA   ASP   6           HA       ASP   6  -7.874  10.196  -6.651
   34   1HB   ASP   6          2HB       ASP   6  -9.825  11.341  -7.425
   35   2HB   ASP   6          1HB       ASP   6 -10.487   9.870  -8.130
   36    H    HIS   7           H        HIS   7  -7.620   8.654  -5.185
   37    HA   HIS   7           HA       HIS   7  -8.595   5.944  -5.815
   38   1HB   HIS   7          2HB       HIS   7  -5.901   6.801  -5.595
   39   2HB   HIS   7          1HB       HIS   7  -6.249   5.837  -4.163
   40    HD2  HIS   7           2HD      HIS   7  -8.366   4.087  -6.481
   41    HE1  HIS   7           1HE      HIS   7  -4.513   2.569  -7.342
   42    HE2  HIS   7           2HE      HIS   7  -7.005   2.093  -7.429
   43    H    HIS   8           H        HIS   8  -9.313   4.711  -4.087
   44    HA   HIS   8           HA       HIS   8 -10.546   6.028  -1.969
   45   1HB   HIS   8          2HB       HIS   8  -9.810   3.129  -2.369
   46   2HB   HIS   8          1HB       HIS   8 -10.705   3.683  -0.958
   47    HD2  HIS   8           2HD      HIS   8 -13.290   4.721  -1.526
   48    HE1  HIS   8           1HE      HIS   8 -13.426   2.937  -5.360
   49    HE2  HIS   8           2HE      HIS   8 -14.743   4.227  -3.618
   50    H    MET   9           H        MET   9  -7.410   4.480  -2.171
   51    HA   MET   9           HA       MET   9  -6.706   5.736   0.386
   52   1HB   MET   9          2HB       MET   9  -6.517   2.902  -0.333
   53   2HB   MET   9          1HB       MET   9  -4.990   3.574   0.218
   54   1HG   MET   9          2HG       MET   9  -5.742   3.920   2.336
   55   2HG   MET   9          1HG       MET   9  -7.416   4.133   1.825
   56   1HE   MET   9          1HE       MET   9  -7.989   2.052   0.029
   57   2HE   MET   9          2HE       MET   9  -7.992   0.384   0.600
   58   3HE   MET   9          3HE       MET   9  -9.096   1.561   1.311
   59    H    GLU  10           H        GLU  10  -6.101   7.395  -1.243
   60    HA   GLU  10           HA       GLU  10  -3.940   6.841  -3.041
   61   1HB   GLU  10          2HB       GLU  10  -3.936   9.328  -3.378
   62   2HB   GLU  10          1HB       GLU  10  -5.488   8.555  -3.671
   63   1HG   GLU  10          2HG       GLU  10  -6.349  10.123  -2.363
   64   2HG   GLU  10          1HG       GLU  10  -5.641   9.230  -1.020
   65    H    PHE  11           H        PHE  11  -3.875   6.882   0.140
   66    HA   PHE  11           HA       PHE  11  -1.136   7.887   0.251
   67   1HB   PHE  11          2HB       PHE  11  -1.514   9.109   2.262
   68   2HB   PHE  11          1HB       PHE  11  -2.778   9.600   1.145
   69    HD1  PHE  11           1HD      PHE  11  -2.150   8.784   4.428
   70    HD2  PHE  11           2HD      PHE  11  -4.975   8.012   1.339
   71    HE1  PHE  11           1HE      PHE  11  -3.846   8.212   6.122
   72    HE2  PHE  11           2HE      PHE  11  -6.669   7.440   3.026
   73    HZ   PHE  11           HZ       PHE  11  -6.105   7.534   5.420
   74    H    CYS  12           H        CYS  12   0.036   7.052   2.150
   75    HA   CYS  12           HA       CYS  12  -0.294   4.263   2.426
   76   1HB   CYS  12          2HB       CYS  12   1.418   6.319   3.763
   77   2HB   CYS  12          1HB       CYS  12   1.326   4.700   4.447
   78    HG   CYS  12           HG       CYS  12   3.409   5.671   2.323
   79    H    ARG  13           H        ARG  13  -1.434   3.081   3.804
   80    HA   ARG  13           HA       ARG  13  -3.397   4.194   5.454
   81   1HB   ARG  13          2HB       ARG  13  -2.310   1.495   4.986
   82   2HB   ARG  13          1HB       ARG  13  -3.105   1.720   6.539
   83   1HG   ARG  13          2HG       ARG  13  -5.091   2.597   5.324
   84   2HG   ARG  13          1HG       ARG  13  -4.288   2.176   3.810
   85   1HD   ARG  13          2HD       ARG  13  -5.436   0.253   4.076
   86   2HD   ARG  13          1HD       ARG  13  -4.055  -0.164   5.091
   87    HE   ARG  13           HE       ARG  13  -5.375   0.129   6.997
   88   1HH1  ARG  13          2HH1      ARG  13  -7.174   0.840   4.075
   89   2HH1  ARG  13          1HH1      ARG  13  -8.720   0.750   4.855
   90   1HH2  ARG  13          2HH2      ARG  13  -7.388   0.044   8.033
   91   2HH2  ARG  13          1HH2      ARG  13  -8.844   0.316   7.123
   92    H    VAL  14           H        VAL  14  -0.071   3.387   6.185
   93    HA   VAL  14           HA       VAL  14  -0.527   3.938   9.041
   94    HB   VAL  14           HB       VAL  14   2.161   3.114   8.096
   95   1HG1  VAL  14          1HG1      VAL  14   0.418   2.588  10.473
   96   2HG1  VAL  14          2HG1      VAL  14   1.860   1.621  10.162
   97   3HG1  VAL  14          3HG1      VAL  14   2.000   3.362  10.403
   98   1HG2  VAL  14          1HG2      VAL  14   1.053   1.574   6.744
   99   2HG2  VAL  14          2HG2      VAL  14   1.355   0.676   8.234
  100   3HG2  VAL  14          3HG2      VAL  14  -0.248   1.339   7.913
  101    H    CYS  15           H        CYS  15   2.119   4.509   6.770
  102    HA   CYS  15           HA       CYS  15   3.036   6.826   8.118
  103   1HB   CYS  15          2HB       CYS  15   4.382   6.540   5.698
  104   2HB   CYS  15          1HB       CYS  15   4.857   5.881   7.267
  105    H    LYS  16           H        LYS  16   0.457   6.653   6.258
  106    HA   LYS  16           HA       LYS  16  -0.845   8.160   5.137
  107   1HB   LYS  16          2HB       LYS  16   0.583   9.614   7.309
  108   2HB   LYS  16          1HB       LYS  16  -0.507  10.507   6.257
  109   1HG   LYS  16          2HG       LYS  16  -1.974   8.282   6.953
  110   2HG   LYS  16          1HG       LYS  16  -1.095   8.677   8.433
  111   1HD   LYS  16          2HD       LYS  16  -2.276  10.975   7.031
  112   2HD   LYS  16          1HD       LYS  16  -3.440   9.814   7.675
  113   1HE   LYS  16          2HE       LYS  16  -3.159  10.657   9.702
  114   2HE   LYS  16          1HE       LYS  16  -1.450  10.224   9.646
  115   1HZ   LYS  16          1HZ       LYS  16  -2.142  12.669  10.009
  116   2HZ   LYS  16          2HZ       LYS  16  -2.383  12.688   8.329
  117   3HZ   LYS  16          3HZ       LYS  16  -0.852  12.319   8.962
  118    H    ASP  17           H        ASP  17   2.052   8.000   3.972
  119    HA   ASP  17           HA       ASP  17   2.319  10.649   2.838
  120   1HB   ASP  17          2HB       ASP  17   4.182   9.583   1.516
  121   2HB   ASP  17          1HB       ASP  17   4.375   9.480   3.263
  122    H    GLY  18           H        GLY  18   2.259  11.067   0.545
  123   1HA   GLY  18          1HA       GLY  18   0.565   9.171  -0.953
  124   2HA   GLY  18          2HA       GLY  18   0.114  10.870  -0.841
  125    H    GLY  19           H        GLY  19   0.196  10.660  -3.227
  126   1HA   GLY  19          1HA       GLY  19   1.314  11.691  -5.017
  127   2HA   GLY  19          2HA       GLY  19   2.833  11.502  -4.153
  128    H    GLU  20           H        GLU  20   4.165   9.990  -4.845
  129    HA   GLU  20           HA       GLU  20   3.151   7.979  -6.728
  130   1HB   GLU  20          2HB       GLU  20   5.873   9.124  -6.173
  131   2HB   GLU  20          1HB       GLU  20   5.706   7.584  -7.005
  132   1HG   GLU  20          2HG       GLU  20   5.628   8.794  -8.865
  133   2HG   GLU  20          1HG       GLU  20   3.973   9.176  -8.390
  134    H    LEU  21           H        LEU  21   2.430   6.241  -5.630
  135    HA   LEU  21           HA       LEU  21   4.174   5.188  -3.494
  136   1HB   LEU  21          2HB       LEU  21   1.177   4.918  -3.691
  137   2HB   LEU  21          1HB       LEU  21   2.193   4.351  -2.381
  138    HG   LEU  21           HG       LEU  21   2.715   7.091  -2.555
  139   1HD1  LEU  21          1HD1      LEU  21   0.459   6.885  -3.936
  140   2HD1  LEU  21          2HD1      LEU  21  -0.231   6.866  -2.314
  141   3HD1  LEU  21          3HD1      LEU  21   0.763   8.227  -2.832
  142   1HD2  LEU  21          1HD2      LEU  21   2.698   6.381  -0.419
  143   2HD2  LEU  21          2HD2      LEU  21   1.004   6.870  -0.473
  144   3HD2  LEU  21          3HD2      LEU  21   1.443   5.181  -0.719
  145    H    LEU  22           H        LEU  22   3.566   2.841  -3.018
  146    HA   LEU  22           HA       LEU  22   3.366   1.352  -5.549
  147   1HB   LEU  22          2HB       LEU  22   5.403   0.871  -4.308
  148   2HB   LEU  22          1HB       LEU  22   4.475   0.550  -2.856
  149    HG   LEU  22           HG       LEU  22   3.377  -1.339  -4.255
  150   1HD1  LEU  22          1HD1      LEU  22   4.370  -2.053  -6.166
  151   2HD1  LEU  22          2HD1      LEU  22   4.736  -0.333  -6.305
  152   3HD1  LEU  22          3HD1      LEU  22   5.961  -1.450  -5.702
  153   1HD2  LEU  22          1HD2      LEU  22   6.183  -1.382  -3.172
  154   2HD2  LEU  22          2HD2      LEU  22   4.692  -1.868  -2.365
  155   3HD2  LEU  22          3HD2      LEU  22   5.332  -2.837  -3.692
  156    H    CYS  23           H        CYS  23   1.267   0.999  -5.872
  157    HA   CYS  23           HA       CYS  23  -0.449   0.476  -3.566
  158   1HB   CYS  23          2HB       CYS  23  -1.983   0.787  -5.929
  159   2HB   CYS  23          1HB       CYS  23  -1.802   1.924  -4.597
  160    HG   CYS  23           HG       CYS  23   0.114   1.804  -7.433
  161    H    CYS  24           H        CYS  24  -2.277  -1.050  -3.871
  162    HA   CYS  24           HA       CYS  24  -1.352  -3.607  -4.704
  163   1HB   CYS  24          2HB       CYS  24  -2.992  -3.187  -2.841
  164   2HB   CYS  24          1HB       CYS  24  -4.196  -2.784  -4.058
  165    H    ASP  25           H        ASP  25  -3.224  -4.902  -5.987
  166    HA   ASP  25           HA       ASP  25  -3.525  -3.497  -8.564
  167   1HB   ASP  25          2HB       ASP  25  -2.095  -5.620  -8.479
  168   2HB   ASP  25          1HB       ASP  25  -3.595  -6.492  -8.201
  169    H    THR  26           H        THR  26  -5.065  -5.652  -6.238
  170    HA   THR  26           HA       THR  26  -7.599  -5.460  -7.650
  171    HB   THR  26           HB       THR  26  -8.329  -6.961  -5.661
  172    HG1  THR  26           1HG      THR  26  -6.666  -6.843  -4.245
  173   1HG2  THR  26          1HG2      THR  26  -6.325  -7.824  -7.745
  174   2HG2  THR  26          2HG2      THR  26  -8.087  -7.862  -7.869
  175   3HG2  THR  26          3HG2      THR  26  -7.257  -8.948  -6.752
  176    H    CYS  27           H        CYS  27  -6.017  -4.153  -4.858
  177    HA   CYS  27           HA       CYS  27  -8.507  -2.757  -4.142
  178   1HB   CYS  27          2HB       CYS  27  -6.367  -2.998  -2.110
  179   2HB   CYS  27          1HB       CYS  27  -8.115  -3.118  -1.926
  180    HA   PRO  28           HA       PRO  28  -6.317   0.953  -4.934
  181   1HB   PRO  28          2HB       PRO  28  -7.993   2.504  -3.188
  182   2HB   PRO  28          1HB       PRO  28  -8.134   2.294  -4.934
  183   1HG   PRO  28          2HG       PRO  28  -9.947   1.332  -3.111
  184   2HG   PRO  28          1HG       PRO  28  -9.709   0.660  -4.732
  185   1HD   PRO  28          2HD       PRO  28  -8.656  -0.311  -2.102
  186   2HD   PRO  28          1HD       PRO  28  -9.291  -1.242  -3.477
  187    H    SER  29           H        SER  29  -5.420  -0.582  -2.459
  188    HA   SER  29           HA       SER  29  -4.759   1.422  -0.513
  189   1HB   SER  29          2HB       SER  29  -3.173  -0.937  -0.212
  190   2HB   SER  29          1HB       SER  29  -4.557  -0.418   0.755
  191    HG   SER  29           HG       SER  29  -4.462  -2.515  -0.773
  192    H    SER  30           H        SER  30  -2.954   2.653  -0.425
  193    HA   SER  30           HA       SER  30  -0.755   1.968  -2.245
  194   1HB   SER  30          2HB       SER  30  -1.476   4.767  -1.374
  195   2HB   SER  30          1HB       SER  30  -0.343   4.294  -2.640
  196    HG   SER  30           HG       SER  30  -3.167   4.164  -2.635
  197    H    TYR  31           H        TYR  31   1.304   2.015  -1.519
  198    HA   TYR  31           HA       TYR  31   1.794   2.895   1.237
  199   1HB   TYR  31          2HB       TYR  31   2.442   0.154   0.128
  200   2HB   TYR  31          1HB       TYR  31   3.039   0.768   1.663
  201    HD1  TYR  31           1HD      TYR  31   1.385   1.243   3.516
  202    HD2  TYR  31           2HD      TYR  31   0.295  -0.808  -0.055
  203    HE1  TYR  31           1HE      TYR  31  -0.621   0.370   4.632
  204    HE2  TYR  31           2HE      TYR  31  -1.711  -1.686   1.060
  205    HH   TYR  31           HH       TYR  31  -2.149  -1.731   4.308
  206    H    HIS  32           H        HIS  32   4.297   2.162   1.611
  207    HA   HIS  32           HA       HIS  32   5.953   3.544  -0.380
  208   1HB   HIS  32          2HB       HIS  32   6.428   2.394   2.381
  209   2HB   HIS  32          1HB       HIS  32   7.777   2.720   1.318
  210    HD2  HIS  32           2HD      HIS  32   8.684   5.257   1.287
  211    HE1  HIS  32           1HE      HIS  32   5.925   6.694   4.166
  212    HE2  HIS  32           2HE      HIS  32   8.188   7.083   3.067
  213    H    ILE  33           H        ILE  33   7.836   1.306   1.001
  214    HA   ILE  33           HA       ILE  33   6.941  -1.004  -0.542
  215    HB   ILE  33           HB       ILE  33   9.272  -1.583  -1.124
  216   1HG1  ILE  33          2HG1      ILE  33  10.201   1.197  -0.651
  217   1HG2  ILE  33          1HG2      ILE  33   8.090  -0.611  -2.884
  218   2HG2  ILE  33          2HG2      ILE  33   8.095   0.983  -2.125
  219   3HG2  ILE  33          3HG2      ILE  33   9.583   0.327  -2.812
  220   1HD1  ILE  33          1HD1      ILE  33  11.403  -1.210  -1.357
  221   2HD1  ILE  33          2HD1      ILE  33  12.203   0.311  -0.961
  222   3HD1  ILE  33          3HD1      ILE  33  11.925  -0.893   0.297
  223    H    HIS  34           H        HIS  34   7.185   0.117   2.368
  224    HA   HIS  34           HA       HIS  34   8.098  -2.368   3.589
  225   1HB   HIS  34          2HB       HIS  34   9.674  -1.140   5.080
  226   2HB   HIS  34          1HB       HIS  34  10.158  -1.115   3.387
  227    HD2  HIS  34           2HD      HIS  34   9.155   1.296   6.223
  228    HE1  HIS  34           1HE      HIS  34   9.906   3.585   2.746
  229    HE2  HIS  34           2HE      HIS  34   9.618   3.664   5.260
  230    H    CYS  35           H        CYS  35   5.649  -0.380   3.470
  231    HA   CYS  35           HA       CYS  35   5.348   0.471   6.181
  232   1HB   CYS  35          2HB       CYS  35   3.004   0.210   4.361
  233   2HB   CYS  35          1HB       CYS  35   3.465   1.546   5.419
  234    H    LEU  36           H        LEU  36   4.567  -2.343   4.376
  235    HA   LEU  36           HA       LEU  36   2.713  -3.350   6.392
  236   1HB   LEU  36          2HB       LEU  36   2.822  -5.341   4.611
  237   2HB   LEU  36          1HB       LEU  36   1.769  -3.952   4.426
  238    HG   LEU  36           HG       LEU  36   4.440  -3.588   3.258
  239   1HD1  LEU  36          1HD1      LEU  36   4.188  -5.936   2.749
  240   2HD1  LEU  36          2HD1      LEU  36   2.554  -5.660   2.145
  241   3HD1  LEU  36          3HD1      LEU  36   3.939  -4.981   1.287
  242   1HD2  LEU  36          1HD2      LEU  36   2.579  -2.012   2.986
  243   2HD2  LEU  36          2HD2      LEU  36   3.136  -2.655   1.441
  244   3HD2  LEU  36          3HD2      LEU  36   1.648  -3.266   2.166
  245    H    ARG  37           H        ARG  37   3.012  -5.890   6.634
  246    HA   ARG  37           HA       ARG  37   5.343  -6.264   8.173
  247   1HB   ARG  37          2HB       ARG  37   3.127  -7.447   8.451
  248   2HB   ARG  37          1HB       ARG  37   3.576  -8.451   7.080
  249   1HG   ARG  37          2HG       ARG  37   5.196  -9.567   8.250
  250   2HG   ARG  37          1HG       ARG  37   5.442  -8.239   9.388
  251   1HD   ARG  37          2HD       ARG  37   2.945  -8.795  10.031
  252   2HD   ARG  37          1HD       ARG  37   3.372 -10.374   9.371
  253    HE   ARG  37           HE       ARG  37   5.413  -9.758  11.090
  254   1HH1  ARG  37          2HH1      ARG  37   1.940 -10.020  11.349
  255   2HH1  ARG  37          1HH1      ARG  37   1.960 -10.567  13.000
  256   1HH2  ARG  37          2HH2      ARG  37   5.467 -10.466  13.269
  257   2HH2  ARG  37          1HH2      ARG  37   3.973 -10.830  14.092
  258    HA   PRO  38           HA       PRO  38   7.108  -8.918   4.582
  259   1HB   PRO  38          2HB       PRO  38   5.457  -8.540   2.221
  260   2HB   PRO  38          1HB       PRO  38   5.870 -10.042   3.048
  261   1HG   PRO  38          2HG       PRO  38   3.360  -9.002   3.026
  262   2HG   PRO  38          1HG       PRO  38   3.989  -9.994   4.356
  263   1HD   PRO  38          2HD       PRO  38   3.730  -7.013   4.170
  264   2HD   PRO  38          1HD       PRO  38   3.380  -8.091   5.538
  265    H    ALA  39           H        ALA  39   8.096  -6.676   5.089
  266    HA   ALA  39           HA       ALA  39   7.959  -4.608   3.161
  267   1HB   ALA  39          1HB       ALA  39   9.393  -5.143   5.619
  268   2HB   ALA  39          2HB       ALA  39  10.407  -4.328   4.428
  269   3HB   ALA  39          3HB       ALA  39   8.876  -3.606   4.925
  270    H    LEU  40           H        LEU  40   9.348  -4.048   1.508
  271    HA   LEU  40           HA       LEU  40  11.039  -6.248   0.530
  272   1HB   LEU  40          2HB       LEU  40   9.891  -3.963  -1.074
  273   2HB   LEU  40          1HB       LEU  40  10.659  -5.413  -1.692
  274    HG   LEU  40           HG       LEU  40   8.452  -6.240  -0.107
  275   1HD1  LEU  40          1HD1      LEU  40   6.668  -4.983  -0.689
  276   2HD1  LEU  40          2HD1      LEU  40   7.887  -3.714  -0.811
  277   3HD1  LEU  40          3HD1      LEU  40   7.340  -4.555  -2.262
  278   1HD2  LEU  40          1HD2      LEU  40   9.208  -6.302  -3.000
  279   2HD2  LEU  40          2HD2      LEU  40   9.107  -7.626  -1.841
  280   3HD2  LEU  40          3HD2      LEU  40   7.632  -6.895  -2.475
  281    H    TYR  41           H        TYR  41  12.938  -5.523  -0.790
  282    HA   TYR  41           HA       TYR  41  14.317  -3.376   0.639
  283   1HB   TYR  41          2HB       TYR  41  15.374  -5.445  -1.299
  284   2HB   TYR  41          1HB       TYR  41  16.354  -4.262  -0.441
  285    HD1  TYR  41           1HD      TYR  41  15.819  -4.298   2.237
  286    HD2  TYR  41           2HD      TYR  41  15.424  -7.574  -0.448
  287    HE1  TYR  41           1HE      TYR  41  16.065  -5.865   4.121
  288    HE2  TYR  41           2HE      TYR  41  15.655  -9.147   1.427
  289    HH   TYR  41           HH       TYR  41  16.791  -8.248   4.469
  290    H    GLU  42           H        GLU  42  12.844  -4.092  -2.360
  291    HA   GLU  42           HA       GLU  42  13.527  -1.427  -3.336
  292   1HB   GLU  42          2HB       GLU  42  14.473  -3.916  -4.516
  293   2HB   GLU  42          1HB       GLU  42  13.506  -2.985  -5.651
  294   1HG   GLU  42          2HG       GLU  42  15.654  -1.620  -4.107
  295   2HG   GLU  42          1HG       GLU  42  16.083  -2.629  -5.486
  296    H    VAL  43           H        VAL  43  12.154  -1.000  -5.392
  297    HA   VAL  43           HA       VAL  43   9.404  -1.589  -4.715
  298    HB   VAL  43           HB       VAL  43  10.359  -0.186  -7.212
  299   1HG1  VAL  43          1HG1      VAL  43   8.206   0.190  -7.606
  300   2HG1  VAL  43          2HG1      VAL  43   7.824  -0.895  -6.268
  301   3HG1  VAL  43          3HG1      VAL  43   7.969   0.839  -5.983
  302   1HG2  VAL  43          1HG2      VAL  43  10.586   0.679  -4.448
  303   2HG2  VAL  43          2HG2      VAL  43  11.263   1.388  -5.914
  304   3HG2  VAL  43          3HG2      VAL  43   9.616   1.785  -5.421
  305    HA   PRO  44           HA       PRO  44   9.380  -5.396  -7.066
  306   1HB   PRO  44          2HB       PRO  44   6.612  -5.575  -7.119
  307   2HB   PRO  44          1HB       PRO  44   7.652  -6.194  -5.833
  308   1HG   PRO  44          2HG       PRO  44   6.116  -3.640  -5.960
  309   2HG   PRO  44          1HG       PRO  44   6.375  -4.729  -4.584
  310   1HD   PRO  44          2HD       PRO  44   7.733  -2.437  -4.822
  311   2HD   PRO  44          1HD       PRO  44   8.504  -3.900  -4.175
  312    H    ASP  45           H        ASP  45   9.022  -5.984  -9.168
  313    HA   ASP  45           HA       ASP  45   8.539  -3.791 -10.981
  314   1HB   ASP  45          2HB       ASP  45  10.374  -5.471 -11.302
  315   2HB   ASP  45          1HB       ASP  45   9.137  -6.672 -11.663
  316    H    GLY  46           H        GLY  46   6.297  -3.443 -10.554
  317   1HA   GLY  46          1HA       GLY  46   4.151  -3.505 -11.386
  318   2HA   GLY  46          2HA       GLY  46   4.635  -4.834 -12.423
  319    H    GLU  47           H        GLU  47   5.118  -6.915 -11.051
  320    HA   GLU  47           HA       GLU  47   2.618  -7.721 -10.032
  321   1HB   GLU  47          2HB       GLU  47   5.323  -9.056  -9.965
  322   2HB   GLU  47          1HB       GLU  47   3.849  -9.834  -9.405
  323   1HG   GLU  47          2HG       GLU  47   4.543  -8.969 -12.197
  324   2HG   GLU  47          1HG       GLU  47   4.238 -10.599 -11.603
  325    H    TRP  48           H        TRP  48   1.798  -7.080  -8.198
  326    HA   TRP  48           HA       TRP  48   2.899  -7.735  -5.697
  327   1HB   TRP  48          2HB       TRP  48   4.350  -5.743  -6.267
  328   2HB   TRP  48          1HB       TRP  48   2.891  -4.757  -6.239
  329    HD1  TRP  48           HD       TRP  48   5.080  -6.882  -3.877
  330    HE1  TRP  48           1HE      TRP  48   4.731  -6.027  -1.475
  331    HE3  TRP  48           3HE      TRP  48   1.366  -3.480  -4.753
  332    HZ2  TRP  48           2HZ      TRP  48   3.101  -4.156  -0.129
  333    HZ3  TRP  48           3HZ      TRP  48   0.466  -2.195  -2.855
  334    HH2  TRP  48           HH       TRP  48   1.318  -2.529  -0.588
  335    H    GLN  49           H        GLN  49   1.387  -7.480  -4.045
  336    HA   GLN  49           HA       GLN  49  -1.063  -6.003  -4.617
  337   1HB   GLN  49          2HB       GLN  49  -0.853  -8.914  -4.546
  338   2HB   GLN  49          1HB       GLN  49  -2.025  -8.295  -3.391
  339   1HG   GLN  49          2HG       GLN  49  -3.302  -7.269  -5.081
  340   2HG   GLN  49          1HG       GLN  49  -2.018  -7.465  -6.273
  341   1HE2  GLN  49          1HE2      GLN  49  -4.947  -8.522  -5.539
  342   2HE2  GLN  49          2HE2      GLN  49  -4.860 -10.145  -6.148
  343    H    CYS  50           H        CYS  50  -2.146  -5.299  -2.769
  344    HA   CYS  50           HA       CYS  50  -0.479  -4.839  -0.550
  345   1HB   CYS  50          2HB       CYS  50  -2.153  -3.441   0.250
  346   2HB   CYS  50          1HB       CYS  50  -2.459  -3.439  -1.480
  347    HA   PRO  51           HA       PRO  51  -1.291  -8.294   2.011
  348   1HB   PRO  51          2HB       PRO  51  -0.811  -7.328   4.465
  349   2HB   PRO  51          1HB       PRO  51   0.467  -7.440   3.247
  350   1HG   PRO  51          2HG       PRO  51  -1.165  -5.061   4.067
  351   2HG   PRO  51          1HG       PRO  51   0.583  -5.172   3.791
  352   1HD   PRO  51          2HD       PRO  51  -1.161  -4.197   1.940
  353   2HD   PRO  51          1HD       PRO  51   0.360  -5.007   1.513
  354    H    ARG  52           H        ARG  52  -3.689  -6.387   1.495
  355    HA   ARG  52           HA       ARG  52  -5.220  -7.083   3.913
  356   1HB   ARG  52          2HB       ARG  52  -5.914  -4.992   1.853
  357   2HB   ARG  52          1HB       ARG  52  -6.696  -5.253   3.406
  358   1HG   ARG  52          2HG       ARG  52  -4.807  -4.472   4.595
  359   2HG   ARG  52          1HG       ARG  52  -3.800  -4.499   3.148
  360   1HD   ARG  52          2HD       ARG  52  -5.841  -2.529   4.017
  361   2HD   ARG  52          1HD       ARG  52  -4.279  -2.272   3.242
  362    HE   ARG  52           HE       ARG  52  -5.334  -2.987   1.142
  363   1HH1  ARG  52          2HH1      ARG  52  -7.421  -2.067   3.801
  364   2HH1  ARG  52          1HH1      ARG  52  -8.730  -1.562   2.771
  365   1HH2  ARG  52          2HH2      ARG  52  -7.046  -2.319  -0.221
  366   2HH2  ARG  52          1HH2      ARG  52  -8.529  -1.726   0.474
  367    H    CYS  53           H        CYS  53  -4.990  -7.656   0.516
  368    HA   CYS  53           HA       CYS  53  -7.690  -8.699   0.299
  369   1HB   CYS  53          2HB       CYS  53  -6.505  -9.516  -1.962
  370   2HB   CYS  53          1HB       CYS  53  -7.110  -7.875  -1.756
  371    H    THR  54           H        THR  54  -4.457  -9.714   0.909
  372    HA   THR  54           HA       THR  54  -4.706 -12.477   0.428
  373    HB   THR  54           HB       THR  54  -2.854 -12.041   2.534
  374    HG1  THR  54           1HG      THR  54  -2.419 -10.161   0.450
  375   1HG2  THR  54          1HG2      THR  54  -1.913 -11.998  -0.268
  376   2HG2  THR  54          2HG2      THR  54  -2.907 -13.378   0.197
  377   3HG2  THR  54          3HG2      THR  54  -1.418 -13.029   1.075
  378    H    CYS  55           H        CYS  55  -5.655 -14.018   1.557
  379    HA   CYS  55           HA       CYS  55  -6.414 -13.470   4.354
  380   1HB   CYS  55          2HB       CYS  55  -7.821 -15.663   2.975
  381   2HB   CYS  55          1HB       CYS  55  -8.457 -14.407   4.034
  382    HG   CYS  55           HG       CYS  55  -7.801 -12.657   1.531
  383    HA   PRO  56           HA       PRO  56  -3.066 -16.540   4.395
  384   1HB   PRO  56          2HB       PRO  56  -2.483 -16.177   7.056
  385   2HB   PRO  56          1HB       PRO  56  -1.816 -15.194   5.749
  386   1HG   PRO  56          2HG       PRO  56  -4.117 -14.618   7.570
  387   2HG   PRO  56          1HG       PRO  56  -2.830 -13.532   7.009
  388   1HD   PRO  56          2HD       PRO  56  -5.284 -13.476   5.929
  389   2HD   PRO  56          1HD       PRO  56  -3.828 -13.211   4.946
  390    H    ALA  57           H        ALA  57  -2.872 -18.603   5.184
  391    HA   ALA  57           HA       ALA  57  -5.265 -19.800   6.268
  392   1HB   ALA  57          1HB       ALA  57  -3.813 -20.868   4.520
  393   2HB   ALA  57          2HB       ALA  57  -2.592 -21.107   5.769
  394   3HB   ALA  57          3HB       ALA  57  -4.166 -21.892   5.911
  395    H    LEU  58           H        LEU  58  -4.394 -21.739   7.959
  396    HA   LEU  58           HA       LEU  58  -3.771 -20.225  10.341
  397   1HB   LEU  58          2HB       LEU  58  -5.180 -22.572   9.792
  398   2HB   LEU  58          1HB       LEU  58  -3.770 -23.098  10.692
  399    HG   LEU  58           HG       LEU  58  -4.553 -21.032  12.239
  400   1HD1  LEU  58          1HD1      LEU  58  -6.690 -20.443  12.039
  401   2HD1  LEU  58          2HD1      LEU  58  -6.670 -21.253  10.474
  402   3HD1  LEU  58          3HD1      LEU  58  -7.219 -22.120  11.908
  403   1HD2  LEU  58          1HD2      LEU  58  -4.657 -22.681  13.717
  404   2HD2  LEU  58          2HD2      LEU  58  -6.099 -23.348  12.952
  405   3HD2  LEU  58          3HD2      LEU  58  -4.499 -23.821  12.380
  406    H    LYS  59           H        LYS  59  -1.687 -19.531   9.984
  407    HA   LYS  59           HA       LYS  59   0.560 -19.542  10.200
  408   1HB   LYS  59          2HB       LYS  59  -0.219 -21.905  11.622
  409   2HB   LYS  59          1HB       LYS  59   1.275 -22.222  10.753
  410   1HG   LYS  59          2HG       LYS  59   1.722 -21.432  13.000
  411   2HG   LYS  59          1HG       LYS  59   2.305 -20.275  11.802
  412   1HD   LYS  59          2HD       LYS  59   0.946 -18.667  12.555
  413   2HD   LYS  59          1HD       LYS  59  -0.440 -19.760  12.606
  414   1HE   LYS  59          2HE       LYS  59  -0.086 -19.065  14.831
  415   2HE   LYS  59          1HE       LYS  59   0.555 -20.704  14.733
  416   1HZ   LYS  59          1HZ       LYS  59   2.136 -19.436  15.901
  417   2HZ   LYS  59          2HZ       LYS  59   2.073 -18.160  14.783
  418   3HZ   LYS  59          3HZ       LYS  59   2.780 -19.636  14.344
  419    H    GLY  60           H        GLY  60   0.028 -22.863   9.033
  420   1HA   GLY  60          1HA       GLY  60   1.012 -22.059   6.408
  421   2HA   GLY  60          2HA       GLY  60   1.939 -23.282   7.265
  422    H    LYS  61           H        LYS  61  -0.090 -23.033   4.862
  423    HA   LYS  61           HA       LYS  61  -0.991 -25.735   5.031
  424   1HB   LYS  61          2HB       LYS  61  -2.704 -24.465   6.401
  425   2HB   LYS  61          1HB       LYS  61  -3.139 -23.612   4.928
  426   1HG   LYS  61          2HG       LYS  61  -4.305 -25.345   4.118
  427   2HG   LYS  61          1HG       LYS  61  -3.133 -26.532   4.691
  428   1HD   LYS  61          2HD       LYS  61  -4.407 -27.008   6.451
  429   2HD   LYS  61          1HD       LYS  61  -4.445 -25.309   6.927
  430   1HE   LYS  61          2HE       LYS  61  -6.205 -25.146   4.981
  431   2HE   LYS  61          1HE       LYS  61  -6.382 -26.873   5.291
  432   1HZ   LYS  61          1HZ       LYS  61  -7.805 -25.094   6.563
  433   2HZ   LYS  61          2HZ       LYS  61  -6.449 -25.057   7.583
  434   3HZ   LYS  61          3HZ       LYS  61  -7.281 -26.513   7.328
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -15.573   0.237  -8.198
    2   2H    GLY   1          2H        GLY   1 -16.761   0.663  -9.329
    3   3H    GLY   1          3H        GLY   1 -15.652  -0.566  -9.691
    4   1HA   GLY   1          2HA       GLY   1 -18.100  -1.057  -8.824
    5   2HA   GLY   1          1HA       GLY   1 -16.736  -2.120  -8.506
    6    HA   PRO   2           HA       PRO   2 -18.626  -0.963  -4.415
    7   1HB   PRO   2          2HB       PRO   2 -18.401  -3.471  -3.348
    8   2HB   PRO   2          1HB       PRO   2 -19.813  -2.909  -4.247
    9   1HG   PRO   2          2HG       PRO   2 -17.531  -4.605  -5.161
   10   2HG   PRO   2          1HG       PRO   2 -19.258  -4.748  -5.538
   11   1HD   PRO   2          2HD       PRO   2 -17.468  -3.666  -7.260
   12   2HD   PRO   2          1HD       PRO   2 -19.163  -3.146  -7.183
   13    H    LEU   3           H        LEU   3 -15.948  -3.215  -5.009
   14    HA   LEU   3           HA       LEU   3 -13.816  -3.314  -4.298
   15   1HB   LEU   3          2HB       LEU   3 -14.139  -0.709  -4.606
   16   2HB   LEU   3          1HB       LEU   3 -13.971  -0.709  -2.862
   17    HG   LEU   3           HG       LEU   3 -11.881  -0.307  -4.316
   18   1HD1  LEU   3          1HD1      LEU   3 -12.266  -1.749  -1.834
   19   2HD1  LEU   3          2HD1      LEU   3 -10.757  -2.186  -2.635
   20   3HD1  LEU   3          3HD1      LEU   3 -11.094  -0.498  -2.248
   21   1HD2  LEU   3          1HD2      LEU   3 -11.622  -3.275  -4.340
   22   2HD2  LEU   3          2HD2      LEU   3 -12.503  -2.480  -5.645
   23   3HD2  LEU   3          3HD2      LEU   3 -10.817  -2.065  -5.336
   24    H    GLY   4           H        GLY   4 -15.637  -1.675  -1.704
   25   1HA   GLY   4          1HA       GLY   4 -16.119  -2.670   0.417
   26   2HA   GLY   4          2HA       GLY   4 -14.826  -3.833   0.127
   27    H    SER   5           H        SER   5 -15.647  -0.666   1.205
   28    HA   SER   5           HA       SER   5 -14.518   0.962   2.320
   29   1HB   SER   5          2HB       SER   5 -12.145  -0.900   2.563
   30   2HB   SER   5          1HB       SER   5 -12.547   0.480   3.583
   31    HG   SER   5           HG       SER   5 -14.594  -0.873   3.944
   32    H    ASP   6           H        ASP   6 -14.695   1.216  -0.242
   33    HA   ASP   6           HA       ASP   6 -12.284   1.233  -1.718
   34   1HB   ASP   6          2HB       ASP   6 -14.346   1.054  -2.916
   35   2HB   ASP   6          1HB       ASP   6 -14.967   2.535  -2.193
   36    H    HIS   7           H        HIS   7 -10.693   2.396  -0.779
   37    HA   HIS   7           HA       HIS   7 -11.188   5.274  -0.447
   38   1HB   HIS   7          2HB       HIS   7 -10.268   3.368   1.450
   39   2HB   HIS   7          1HB       HIS   7  -8.929   4.452   1.089
   40    HD2  HIS   7           2HD      HIS   7 -10.283   7.291   0.987
   41    HE1  HIS   7           1HE      HIS   7 -12.121   6.240   4.648
   42    HE2  HIS   7           2HE      HIS   7 -11.300   8.157   3.208
   43    H    HIS   8           H        HIS   8 -10.373   6.171  -2.210
   44    HA   HIS   8           HA       HIS   8  -8.032   5.245  -3.561
   45   1HB   HIS   8          2HB       HIS   8  -9.723   6.473  -4.797
   46   2HB   HIS   8          1HB       HIS   8  -9.558   7.859  -3.725
   47    HD2  HIS   8           2HD      HIS   8  -6.883   5.932  -5.923
   48    HE1  HIS   8           1HE      HIS   8  -6.547  10.111  -6.485
   49    HE2  HIS   8           2HE      HIS   8  -5.476   7.857  -6.946
   50    H    MET   9           H        MET   9  -6.174   5.270  -2.488
   51    HA   MET   9           HA       MET   9  -5.690   7.315  -0.508
   52   1HB   MET   9          2HB       MET   9  -4.936   4.599  -0.915
   53   2HB   MET   9          1HB       MET   9  -3.471   5.561  -0.770
   54   1HG   MET   9          2HG       MET   9  -3.912   6.157   1.393
   55   2HG   MET   9          1HG       MET   9  -5.655   5.970   1.204
   56   1HE   MET   9          1HE       MET   9  -6.783   3.189   2.304
   57   2HE   MET   9          2HE       MET   9  -6.778   4.003   0.741
   58   3HE   MET   9          3HE       MET   9  -6.205   2.338   0.871
   59    H    GLU  10           H        GLU  10  -4.667   9.123  -0.920
   60    HA   GLU  10           HA       GLU  10  -2.853   9.325  -3.203
   61   1HB   GLU  10          2HB       GLU  10  -3.715  11.425  -1.200
   62   2HB   GLU  10          1HB       GLU  10  -2.767  11.718  -2.653
   63   1HG   GLU  10          2HG       GLU  10  -5.245  10.332  -3.230
   64   2HG   GLU  10          1HG       GLU  10  -5.513  11.878  -2.421
   65    H    PHE  11           H        PHE  11  -2.876   8.844   0.151
   66    HA   PHE  11           HA       PHE  11   0.065   8.949   0.248
   67   1HB   PHE  11          2HB       PHE  11  -0.353   9.065   2.811
   68   2HB   PHE  11          1HB       PHE  11  -0.503  10.538   1.861
   69    HD1  PHE  11           1HD      PHE  11  -2.311   7.974   3.751
   70    HD2  PHE  11           2HD      PHE  11  -2.642  11.592   1.531
   71    HE1  PHE  11           1HE      PHE  11  -4.591   8.296   4.614
   72    HE2  PHE  11           2HE      PHE  11  -4.914  11.922   2.403
   73    HZ   PHE  11           HZ       PHE  11  -5.896  10.273   3.946
   74    H    CYS  12           H        CYS  12   0.534   7.431   2.412
   75    HA   CYS  12           HA       CYS  12  -0.328   4.845   1.426
   76   1HB   CYS  12          2HB       CYS  12   1.713   4.169   2.042
   77   2HB   CYS  12          1HB       CYS  12   2.053   5.853   2.425
   78    HG   CYS  12           HG       CYS  12   2.415   5.568   4.878
   79    H    ARG  13           H        ARG  13  -1.033   3.153   2.868
   80    HA   ARG  13           HA       ARG  13  -3.171   4.032   4.480
   81   1HB   ARG  13          2HB       ARG  13  -2.539   1.690   3.201
   82   2HB   ARG  13          1HB       ARG  13  -2.361   1.244   4.892
   83   1HG   ARG  13          2HG       ARG  13  -4.693   2.442   5.108
   84   2HG   ARG  13          1HG       ARG  13  -4.787   2.061   3.389
   85   1HD   ARG  13          2HD       ARG  13  -3.912  -0.114   5.191
   86   2HD   ARG  13          1HD       ARG  13  -5.599   0.383   5.308
   87    HE   ARG  13           HE       ARG  13  -4.327  -1.011   3.113
   88   1HH1  ARG  13          2HH1      ARG  13  -7.091   0.935   4.090
   89   2HH1  ARG  13          1HH1      ARG  13  -8.103   0.355   2.799
   90   1HH2  ARG  13          2HH2      ARG  13  -5.661  -1.758   1.415
   91   2HH2  ARG  13          1HH2      ARG  13  -7.290  -1.161   1.286
   92    H    VAL  14           H        VAL  14  -0.226   2.242   5.446
   93    HA   VAL  14           HA       VAL  14  -0.933   2.416   8.196
   94    HB   VAL  14           HB       VAL  14   1.774   1.666   7.085
   95   1HG1  VAL  14          1HG1      VAL  14   1.020   2.019   9.677
   96   2HG1  VAL  14          2HG1      VAL  14   0.696   0.300   9.445
   97   3HG1  VAL  14          3HG1      VAL  14   2.311   0.943   9.141
   98   1HG2  VAL  14          1HG2      VAL  14   0.965  -0.648   7.071
   99   2HG2  VAL  14          2HG2      VAL  14  -0.647  -0.088   7.519
  100   3HG2  VAL  14          3HG2      VAL  14   0.043   0.364   5.960
  101    H    CYS  15           H        CYS  15   2.060   3.618   6.660
  102    HA   CYS  15           HA       CYS  15   2.147   5.741   8.647
  103   1HB   CYS  15          2HB       CYS  15   4.460   6.027   7.271
  104   2HB   CYS  15          1HB       CYS  15   4.271   5.025   8.700
  105    H    LYS  16           H        LYS  16   0.281   6.542   7.469
  106    HA   LYS  16           HA       LYS  16  -0.217   7.393   5.087
  107   1HB   LYS  16          2HB       LYS  16  -0.680   9.021   7.583
  108   2HB   LYS  16          1HB       LYS  16  -1.465   9.332   6.042
  109   1HG   LYS  16          2HG       LYS  16  -3.058   7.901   6.590
  110   2HG   LYS  16          1HG       LYS  16  -1.862   6.603   6.620
  111   1HD   LYS  16          2HD       LYS  16  -1.343   7.551   9.007
  112   2HD   LYS  16          1HD       LYS  16  -2.971   8.219   8.871
  113   1HE   LYS  16          2HE       LYS  16  -3.934   6.073   8.624
  114   2HE   LYS  16          1HE       LYS  16  -2.363   5.322   8.349
  115   1HZ   LYS  16          1HZ       LYS  16  -1.871   6.173  10.725
  116   2HZ   LYS  16          2HZ       LYS  16  -2.815   4.778  10.524
  117   3HZ   LYS  16          3HZ       LYS  16  -3.561   6.264  10.870
  118    H    ASP  17           H        ASP  17   1.920   7.710   4.261
  119    HA   ASP  17           HA       ASP  17   2.512  10.557   3.934
  120   1HB   ASP  17          2HB       ASP  17   3.857   9.191   5.837
  121   2HB   ASP  17          1HB       ASP  17   4.863   8.822   4.441
  122    H    GLY  18           H        GLY  18   4.534  10.691   2.386
  123   1HA   GLY  18          1HA       GLY  18   5.727   9.606   0.591
  124   2HA   GLY  18          2HA       GLY  18   4.319   8.581   0.334
  125    H    GLY  19           H        GLY  19   5.815  10.300  -1.522
  126   1HA   GLY  19          1HA       GLY  19   3.829  12.330  -2.241
  127   2HA   GLY  19          2HA       GLY  19   5.403  12.104  -2.998
  128    H    GLU  20           H        GLU  20   5.548   9.655  -3.810
  129    HA   GLU  20           HA       GLU  20   3.054   9.025  -5.233
  130   1HB   GLU  20          2HB       GLU  20   5.023   7.824  -6.761
  131   2HB   GLU  20          1HB       GLU  20   4.139   9.283  -7.179
  132   1HG   GLU  20          2HG       GLU  20   6.159  10.189  -7.391
  133   2HG   GLU  20          1HG       GLU  20   6.124  10.292  -5.631
  134    H    LEU  21           H        LEU  21   2.242   7.254  -4.429
  135    HA   LEU  21           HA       LEU  21   4.019   5.344  -3.085
  136   1HB   LEU  21          2HB       LEU  21   1.084   5.952  -2.860
  137   2HB   LEU  21          1HB       LEU  21   1.762   4.481  -2.197
  138    HG   LEU  21           HG       LEU  21   1.718   5.852  -0.349
  139   1HD1  LEU  21          1HD1      LEU  21   4.411   6.316  -1.614
  140   2HD1  LEU  21          2HD1      LEU  21   4.024   6.682   0.068
  141   3HD1  LEU  21          3HD1      LEU  21   3.948   5.018  -0.512
  142   1HD2  LEU  21          1HD2      LEU  21   1.514   8.077  -0.387
  143   2HD2  LEU  21          2HD2      LEU  21   2.913   8.285  -1.441
  144   3HD2  LEU  21          3HD2      LEU  21   1.343   7.879  -2.131
  145    H    LEU  22           H        LEU  22   2.754   3.050  -3.070
  146    HA   LEU  22           HA       LEU  22   2.340   2.384  -5.905
  147   1HB   LEU  22          2HB       LEU  22   3.921   0.836  -5.661
  148   2HB   LEU  22          1HB       LEU  22   4.134   1.299  -3.986
  149    HG   LEU  22           HG       LEU  22   1.834  -0.363  -4.119
  150   1HD1  LEU  22          1HD1      LEU  22   4.238  -1.523  -5.519
  151   2HD1  LEU  22          2HD1      LEU  22   2.807  -2.417  -5.009
  152   3HD1  LEU  22          3HD1      LEU  22   2.673  -1.176  -6.253
  153   1HD2  LEU  22          1HD2      LEU  22   3.280  -0.106  -2.187
  154   2HD2  LEU  22          2HD2      LEU  22   3.190  -1.802  -2.665
  155   3HD2  LEU  22          3HD2      LEU  22   4.619  -0.847  -3.066
  156    H    CYS  23           H        CYS  23   0.574   1.191  -6.466
  157    HA   CYS  23           HA       CYS  23  -1.389   0.705  -4.316
  158   1HB   CYS  23          2HB       CYS  23  -1.902   1.207  -7.262
  159   2HB   CYS  23          1HB       CYS  23  -3.130   0.969  -6.022
  160    HG   CYS  23           HG       CYS  23  -2.301   3.326  -4.602
  161    H    CYS  24           H        CYS  24  -2.606  -1.275  -4.394
  162    HA   CYS  24           HA       CYS  24  -1.029  -3.446  -5.324
  163   1HB   CYS  24          2HB       CYS  24  -3.507  -4.482  -4.604
  164   2HB   CYS  24          1HB       CYS  24  -2.084  -4.344  -3.580
  165    H    ASP  25           H        ASP  25  -2.727  -5.356  -6.124
  166    HA   ASP  25           HA       ASP  25  -3.341  -4.529  -8.856
  167   1HB   ASP  25          2HB       ASP  25  -1.923  -6.587  -8.227
  168   2HB   ASP  25          1HB       ASP  25  -3.443  -7.341  -7.770
  169    H    THR  26           H        THR  26  -4.953  -4.938  -5.960
  170    HA   THR  26           HA       THR  26  -7.467  -5.622  -7.329
  171    HB   THR  26           HB       THR  26  -8.193  -6.283  -4.938
  172    HG1  THR  26           1HG      THR  26  -6.559  -5.612  -3.651
  173   1HG2  THR  26          1HG2      THR  26  -7.995  -8.006  -6.516
  174   2HG2  THR  26          2HG2      THR  26  -6.948  -8.515  -5.192
  175   3HG2  THR  26          3HG2      THR  26  -6.247  -7.807  -6.648
  176    H    CYS  27           H        CYS  27  -6.175  -3.739  -4.603
  177    HA   CYS  27           HA       CYS  27  -8.621  -2.137  -4.622
  178   1HB   CYS  27          2HB       CYS  27  -6.852  -1.775  -2.349
  179   2HB   CYS  27          1HB       CYS  27  -8.539  -2.279  -2.385
  180    HA   PRO  28           HA       PRO  28  -6.325   1.526  -5.661
  181   1HB   PRO  28          2HB       PRO  28  -7.906   3.454  -4.715
  182   2HB   PRO  28          1HB       PRO  28  -8.462   2.372  -5.999
  183   1HG   PRO  28          2HG       PRO  28  -9.095   2.334  -3.080
  184   2HG   PRO  28          1HG       PRO  28 -10.157   2.011  -4.460
  185   1HD   PRO  28          2HD       PRO  28  -8.917   0.079  -2.893
  186   2HD   PRO  28          1HD       PRO  28  -9.574  -0.185  -4.517
  187    H    SER  29           H        SER  29  -5.801   0.213  -2.956
  188    HA   SER  29           HA       SER  29  -5.222   2.322  -1.118
  189   1HB   SER  29          2HB       SER  29  -3.701   0.088  -0.411
  190   2HB   SER  29          1HB       SER  29  -5.309   0.495   0.193
  191    HG   SER  29           HG       SER  29  -4.587  -1.251  -1.920
  192    H    SER  30           H        SER  30  -3.108   3.004  -0.469
  193    HA   SER  30           HA       SER  30  -1.001   2.440  -2.429
  194   1HB   SER  30          2HB       SER  30  -1.626   5.149  -1.230
  195   2HB   SER  30          1HB       SER  30  -0.283   4.785  -2.318
  196    HG   SER  30           HG       SER  30  -2.718   5.504  -2.985
  197    H    TYR  31           H        TYR  31   0.963   2.050  -1.624
  198    HA   TYR  31           HA       TYR  31   1.371   2.404   1.273
  199   1HB   TYR  31          2HB       TYR  31   2.027  -0.044  -0.381
  200   2HB   TYR  31          1HB       TYR  31   2.515   0.195   1.291
  201    HD1  TYR  31           1HD      TYR  31   0.771   0.262   3.084
  202    HD2  TYR  31           2HD      TYR  31  -0.151  -0.811  -0.929
  203    HE1  TYR  31           1HE      TYR  31  -1.339  -0.748   3.843
  204    HE2  TYR  31           2HE      TYR  31  -2.260  -1.831  -0.178
  205    HH   TYR  31           HH       TYR  31  -3.477  -2.481   1.597
  206    H    HIS  32           H        HIS  32   3.692   1.968   1.849
  207    HA   HIS  32           HA       HIS  32   5.524   3.329  -0.003
  208   1HB   HIS  32          2HB       HIS  32   5.683   2.494   2.901
  209   2HB   HIS  32          1HB       HIS  32   7.135   2.893   1.999
  210    HD2  HIS  32           2HD      HIS  32   7.235   5.626   1.113
  211    HE1  HIS  32           1HE      HIS  32   4.571   6.861   4.166
  212    HE2  HIS  32           2HE      HIS  32   6.443   7.597   2.611
  213    H    ILE  33           H        ILE  33   7.531   1.504   1.612
  214    HA   ILE  33           HA       ILE  33   6.973  -1.013   0.210
  215    HB   ILE  33           HB       ILE  33   9.393  -1.371  -0.121
  216   1HG1  ILE  33          2HG1      ILE  33   9.965   1.518   0.301
  217   1HG2  ILE  33          1HG2      ILE  33   8.207  -0.587  -2.003
  218   2HG2  ILE  33          2HG2      ILE  33   8.140   1.057  -1.369
  219   3HG2  ILE  33          3HG2      ILE  33   9.677   0.386  -1.919
  220   1HD1  ILE  33          1HD1      ILE  33  11.480  -1.035   0.414
  221   2HD1  ILE  33          2HD1      ILE  33  11.859   0.469  -0.425
  222   3HD1  ILE  33          3HD1      ILE  33  12.061   0.359   1.323
  223    H    HIS  34           H        HIS  34   6.985   0.367   3.076
  224    HA   HIS  34           HA       HIS  34   7.959  -2.021   4.462
  225   1HB   HIS  34          2HB       HIS  34   9.066  -0.502   6.153
  226   2HB   HIS  34          1HB       HIS  34   9.848  -0.582   4.579
  227    HD2  HIS  34           2HD      HIS  34   8.234   1.962   6.956
  228    HE1  HIS  34           1HE      HIS  34   9.293   3.988   3.395
  229    HE2  HIS  34           2HE      HIS  34   8.693   4.262   5.841
  230    H    CYS  35           H        CYS  35   5.337  -0.237   3.974
  231    HA   CYS  35           HA       CYS  35   4.465   0.385   6.614
  232   1HB   CYS  35          2HB       CYS  35   2.511  -0.199   4.440
  233   2HB   CYS  35          1HB       CYS  35   2.528   1.120   5.607
  234    H    LEU  36           H        LEU  36   4.274  -2.383   4.521
  235    HA   LEU  36           HA       LEU  36   2.526  -3.855   6.305
  236   1HB   LEU  36          2HB       LEU  36   3.815  -5.435   4.242
  237   2HB   LEU  36          1HB       LEU  36   2.109  -5.157   4.534
  238    HG   LEU  36           HG       LEU  36   3.393  -2.833   3.350
  239   1HD1  LEU  36          1HD1      LEU  36   4.003  -5.464   2.238
  240   2HD1  LEU  36          2HD1      LEU  36   3.279  -4.342   1.086
  241   3HD1  LEU  36          3HD1      LEU  36   4.756  -3.897   1.939
  242   1HD2  LEU  36          1HD2      LEU  36   0.884  -3.815   3.529
  243   2HD2  LEU  36          2HD2      LEU  36   1.397  -2.628   2.330
  244   3HD2  LEU  36          3HD2      LEU  36   1.319  -4.337   1.902
  245    H    ARG  37           H        ARG  37   3.270  -6.164   6.867
  246    HA   ARG  37           HA       ARG  37   5.613  -5.968   8.453
  247   1HB   ARG  37          2HB       ARG  37   3.464  -7.858   8.087
  248   2HB   ARG  37          1HB       ARG  37   5.009  -8.687   8.219
  249   1HG   ARG  37          2HG       ARG  37   4.847  -6.621  10.194
  250   2HG   ARG  37          1HG       ARG  37   3.424  -7.661  10.285
  251   1HD   ARG  37          2HD       ARG  37   5.771  -9.263   9.916
  252   2HD   ARG  37          1HD       ARG  37   6.007  -8.167  11.279
  253    HE   ARG  37           HE       ARG  37   3.957 -10.246  11.040
  254   1HH1  ARG  37          2HH1      ARG  37   5.554  -7.769  12.945
  255   2HH1  ARG  37          1HH1      ARG  37   4.750  -8.219  14.425
  256   1HH2  ARG  37          2HH2      ARG  37   2.956 -10.870  12.970
  257   2HH2  ARG  37          1HH2      ARG  37   3.294 -10.014  14.448
  258    HA   PRO  38           HA       PRO  38   7.737  -8.786   5.207
  259   1HB   PRO  38          2HB       PRO  38   6.127  -8.856   2.798
  260   2HB   PRO  38          1HB       PRO  38   6.666 -10.200   3.803
  261   1HG   PRO  38          2HG       PRO  38   4.061  -9.431   3.605
  262   2HG   PRO  38          1HG       PRO  38   4.742 -10.218   5.041
  263   1HD   PRO  38          2HD       PRO  38   4.196  -7.312   4.547
  264   2HD   PRO  38          1HD       PRO  38   3.913  -8.280   6.010
  265    H    ALA  39           H        ALA  39   8.515  -6.455   5.461
  266    HA   ALA  39           HA       ALA  39   8.129  -4.504   3.504
  267   1HB   ALA  39          1HB       ALA  39  10.479  -4.982   5.327
  268   2HB   ALA  39          2HB       ALA  39  10.269  -3.535   4.343
  269   3HB   ALA  39          3HB       ALA  39   9.106  -3.915   5.613
  270    H    LEU  40           H        LEU  40   9.006  -4.099   1.561
  271    HA   LEU  40           HA       LEU  40  10.623  -6.218   0.374
  272   1HB   LEU  40          2HB       LEU  40   9.095  -3.889  -0.777
  273   2HB   LEU  40          1HB       LEU  40  10.154  -4.891  -1.751
  274    HG   LEU  40           HG       LEU  40   8.479  -6.705  -0.447
  275   1HD1  LEU  40          1HD1      LEU  40   7.082  -4.154  -1.057
  276   2HD1  LEU  40          2HD1      LEU  40   6.259  -5.670  -1.427
  277   3HD1  LEU  40          3HD1      LEU  40   6.784  -5.329   0.222
  278   1HD2  LEU  40          1HD2      LEU  40   9.432  -6.505  -2.856
  279   2HD2  LEU  40          2HD2      LEU  40   7.906  -7.345  -2.590
  280   3HD2  LEU  40          3HD2      LEU  40   7.906  -5.690  -3.198
  281    H    TYR  41           H        TYR  41  12.527  -5.728  -0.888
  282    HA   TYR  41           HA       TYR  41  14.143  -3.702   0.401
  283   1HB   TYR  41          2HB       TYR  41  15.043  -5.373  -1.932
  284   2HB   TYR  41          1HB       TYR  41  16.008  -4.700  -0.625
  285    HD1  TYR  41           1HD      TYR  41  15.289  -7.670  -1.878
  286    HD2  TYR  41           2HD      TYR  41  14.644  -5.593   1.781
  287    HE1  TYR  41           1HE      TYR  41  15.161  -9.815  -0.687
  288    HE2  TYR  41           2HE      TYR  41  14.513  -7.737   2.980
  289    HH   TYR  41           HH       TYR  41  13.834 -10.420   1.880
  290    H    GLU  42           H        GLU  42  12.716  -4.336  -2.737
  291    HA   GLU  42           HA       GLU  42  13.303  -1.548  -3.491
  292   1HB   GLU  42          2HB       GLU  42  13.889  -3.985  -4.924
  293   2HB   GLU  42          1HB       GLU  42  12.760  -3.003  -5.846
  294   1HG   GLU  42          2HG       GLU  42  14.682  -2.119  -6.628
  295   2HG   GLU  42          1HG       GLU  42  14.493  -1.100  -5.202
  296    H    VAL  43           H        VAL  43  11.643  -0.578  -4.887
  297    HA   VAL  43           HA       VAL  43   9.039  -1.018  -3.890
  298    HB   VAL  43           HB       VAL  43   9.707   0.431  -6.456
  299   1HG1  VAL  43          1HG1      VAL  43   7.701   1.777  -5.113
  300   2HG1  VAL  43          2HG1      VAL  43   7.495   0.701  -6.496
  301   3HG1  VAL  43          3HG1      VAL  43   7.310   0.074  -4.856
  302   1HG2  VAL  43          1HG2      VAL  43  10.790   2.000  -5.316
  303   2HG2  VAL  43          2HG2      VAL  43   9.408   2.206  -4.241
  304   3HG2  VAL  43          3HG2      VAL  43  10.650   1.014  -3.858
  305    HA   PRO  44           HA       PRO  44   7.972  -4.381  -6.616
  306   1HB   PRO  44          2HB       PRO  44   5.451  -4.768  -5.695
  307   2HB   PRO  44          1HB       PRO  44   6.887  -5.311  -4.825
  308   1HG   PRO  44          2HG       PRO  44   5.109  -3.010  -4.284
  309   2HG   PRO  44          1HG       PRO  44   6.061  -3.986  -3.157
  310   1HD   PRO  44          2HD       PRO  44   6.722  -1.439  -4.126
  311   2HD   PRO  44          1HD       PRO  44   7.807  -2.551  -3.276
  312    H    ASP  45           H        ASP  45   8.087  -2.332  -8.110
  313    HA   ASP  45           HA       ASP  45   5.586  -1.239  -8.960
  314   1HB   ASP  45          2HB       ASP  45   7.654   0.060  -9.107
  315   2HB   ASP  45          1HB       ASP  45   8.336  -1.120 -10.219
  316    H    GLY  46           H        GLY  46   4.158  -2.368 -10.063
  317   1HA   GLY  46          1HA       GLY  46   3.795  -3.267 -12.390
  318   2HA   GLY  46          2HA       GLY  46   5.139  -4.344 -12.024
  319    H    GLU  47           H        GLU  47   4.573  -6.297 -11.449
  320    HA   GLU  47           HA       GLU  47   1.860  -6.909 -10.676
  321   1HB   GLU  47          2HB       GLU  47   4.048  -8.937 -10.544
  322   2HB   GLU  47          1HB       GLU  47   2.390  -9.115 -11.096
  323   1HG   GLU  47          2HG       GLU  47   3.427  -9.245 -13.095
  324   2HG   GLU  47          1HG       GLU  47   3.256  -7.492 -13.008
  325    H    TRP  48           H        TRP  48   1.127  -6.971  -8.672
  326    HA   TRP  48           HA       TRP  48   2.557  -8.037  -6.475
  327   1HB   TRP  48          2HB       TRP  48   3.752  -5.879  -6.643
  328   2HB   TRP  48          1HB       TRP  48   2.220  -5.027  -6.492
  329    HD1  TRP  48           HD       TRP  48   4.423  -7.437  -4.397
  330    HE1  TRP  48           1HE      TRP  48   4.093  -6.859  -1.909
  331    HE3  TRP  48           3HE      TRP  48   0.816  -3.843  -4.887
  332    HZ2  TRP  48           2HZ      TRP  48   2.497  -5.115  -0.369
  333    HZ3  TRP  48           3HZ      TRP  48  -0.058  -2.772  -2.853
  334    HH2  TRP  48           HH       TRP  48   0.766  -3.395  -0.644
  335    H    GLN  49           H        GLN  49   1.134  -8.709  -5.003
  336    HA   GLN  49           HA       GLN  49  -1.505  -7.418  -4.937
  337   1HB   GLN  49          2HB       GLN  49  -1.033 -10.069  -5.630
  338   2HB   GLN  49          1HB       GLN  49  -1.513 -10.154  -3.939
  339   1HG   GLN  49          2HG       GLN  49  -3.206  -8.375  -5.485
  340   2HG   GLN  49          1HG       GLN  49  -3.195 -10.023  -6.114
  341   1HE2  GLN  49          1HE2      GLN  49  -4.428  -7.942  -3.755
  342   2HE2  GLN  49          2HE2      GLN  49  -5.210  -9.129  -2.771
  343    H    CYS  50           H        CYS  50  -2.422  -7.154  -2.900
  344    HA   CYS  50           HA       CYS  50  -0.535  -6.419  -0.992
  345   1HB   CYS  50          2HB       CYS  50  -3.027  -6.432   0.254
  346   2HB   CYS  50          1HB       CYS  50  -2.256  -5.086  -0.582
  347    HA   PRO  51           HA       PRO  51  -0.685  -9.916   1.814
  348   1HB   PRO  51          2HB       PRO  51   1.282  -9.042   3.407
  349   2HB   PRO  51          1HB       PRO  51   1.635  -9.718   1.813
  350   1HG   PRO  51          2HG       PRO  51   1.730  -6.910   2.731
  351   2HG   PRO  51          1HG       PRO  51   2.614  -7.693   1.412
  352   1HD   PRO  51          2HD       PRO  51   0.241  -6.093   1.242
  353   2HD   PRO  51          1HD       PRO  51   1.107  -6.905  -0.077
  354    H    ARG  52           H        ARG  52  -1.972  -6.995   1.873
  355    HA   ARG  52           HA       ARG  52  -2.592  -7.029   4.747
  356   1HB   ARG  52          2HB       ARG  52  -1.040  -5.171   4.035
  357   2HB   ARG  52          1HB       ARG  52  -2.364  -4.531   3.071
  358   1HG   ARG  52          2HG       ARG  52  -2.239  -3.356   5.169
  359   2HG   ARG  52          1HG       ARG  52  -3.718  -4.318   5.118
  360   1HD   ARG  52          2HD       ARG  52  -1.336  -5.616   6.297
  361   2HD   ARG  52          1HD       ARG  52  -2.042  -4.290   7.216
  362    HE   ARG  52           HE       ARG  52  -4.180  -5.560   7.101
  363   1HH1  ARG  52          2HH1      ARG  52  -1.128  -7.225   6.732
  364   2HH1  ARG  52          1HH1      ARG  52  -1.747  -8.759   7.259
  365   1HH2  ARG  52          2HH2      ARG  52  -5.012  -7.595   7.789
  366   2HH2  ARG  52          1HH2      ARG  52  -3.948  -8.967   7.876
  367    H    CYS  53           H        CYS  53  -3.837  -5.211   1.884
  368    HA   CYS  53           HA       CYS  53  -6.487  -5.513   2.958
  369   1HB   CYS  53          2HB       CYS  53  -6.906  -4.275   0.607
  370   2HB   CYS  53          1HB       CYS  53  -6.446  -3.444   2.084
  371    H    THR  54           H        THR  54  -5.580  -7.958   2.423
  372    HA   THR  54           HA       THR  54  -6.773  -8.825  -0.101
  373    HB   THR  54           HB       THR  54  -5.971 -11.053   1.445
  374    HG1  THR  54           1HG      THR  54  -3.734  -9.372   1.241
  375   1HG2  THR  54          1HG2      THR  54  -4.227  -9.842  -0.656
  376   2HG2  THR  54          2HG2      THR  54  -5.835 -10.423  -1.096
  377   3HG2  THR  54          3HG2      THR  54  -4.656 -11.534  -0.396
  378    H    CYS  55           H        CYS  55  -8.399  -7.613   1.745
  379    HA   CYS  55           HA       CYS  55 -10.672  -7.993   2.144
  380   1HB   CYS  55          2HB       CYS  55  -9.829 -10.790   2.868
  381   2HB   CYS  55          1HB       CYS  55 -11.409 -10.139   3.296
  382    HG   CYS  55           HG       CYS  55 -10.462  -9.916   0.050
  383    HA   PRO  56           HA       PRO  56  -9.816  -7.903   6.768
  384   1HB   PRO  56          2HB       PRO  56  -7.884  -9.290   7.968
  385   2HB   PRO  56          1HB       PRO  56  -9.374 -10.085   7.445
  386   1HG   PRO  56          2HG       PRO  56  -6.673 -10.095   6.177
  387   2HG   PRO  56          1HG       PRO  56  -7.854 -11.408   6.319
  388   1HD   PRO  56          2HD       PRO  56  -7.473  -9.805   4.068
  389   2HD   PRO  56          1HD       PRO  56  -8.896 -10.811   4.392
  390    H    ALA  57           H        ALA  57  -8.889  -5.994   5.324
  391    HA   ALA  57           HA       ALA  57  -6.174  -5.364   5.316
  392   1HB   ALA  57          1HB       ALA  57  -8.318  -4.208   4.239
  393   2HB   ALA  57          2HB       ALA  57  -8.096  -3.131   5.618
  394   3HB   ALA  57          3HB       ALA  57  -6.789  -3.355   4.455
  395    H    LEU  58           H        LEU  58  -8.687  -4.471   7.658
  396    HA   LEU  58           HA       LEU  58  -6.703  -4.409   9.763
  397   1HB   LEU  58          2HB       LEU  58  -7.931  -1.964   8.659
  398   2HB   LEU  58          1HB       LEU  58  -7.984  -2.099  10.406
  399    HG   LEU  58           HG       LEU  58  -5.338  -2.737   9.521
  400   1HD1  LEU  58          1HD1      LEU  58  -5.365  -0.010   8.860
  401   2HD1  LEU  58          2HD1      LEU  58  -4.992  -1.376   7.808
  402   3HD1  LEU  58          3HD1      LEU  58  -6.643  -0.764   7.907
  403   1HD2  LEU  58          1HD2      LEU  58  -5.051  -1.790  11.507
  404   2HD2  LEU  58          2HD2      LEU  58  -5.419  -0.224  10.782
  405   3HD2  LEU  58          3HD2      LEU  58  -6.709  -1.190  11.499
  406    H    LYS  59           H        LYS  59  -9.946  -3.034   9.358
  407    HA   LYS  59           HA       LYS  59 -11.065  -5.160  11.021
  408   1HB   LYS  59          2HB       LYS  59 -10.735  -2.381  11.863
  409   2HB   LYS  59          1HB       LYS  59 -12.406  -2.920  11.947
  410   1HG   LYS  59          2HG       LYS  59 -11.862  -4.671  13.441
  411   2HG   LYS  59          1HG       LYS  59 -10.132  -4.450  13.177
  412   1HD   LYS  59          2HD       LYS  59 -11.724  -2.158  14.214
  413   2HD   LYS  59          1HD       LYS  59 -11.327  -3.478  15.318
  414   1HE   LYS  59          2HE       LYS  59  -9.348  -1.895  13.680
  415   2HE   LYS  59          1HE       LYS  59  -9.660  -1.673  15.399
  416   1HZ   LYS  59          1HZ       LYS  59  -9.077  -4.386  14.882
  417   2HZ   LYS  59          2HZ       LYS  59  -8.240  -3.291  15.866
  418   3HZ   LYS  59          3HZ       LYS  59  -7.855  -3.415  14.219
  419    H    GLY  60           H        GLY  60 -12.292  -5.969   9.391
  420   1HA   GLY  60          1HA       GLY  60 -13.651  -4.342   7.491
  421   2HA   GLY  60          2HA       GLY  60 -13.876  -6.067   7.728
  422    H    LYS  61           H        LYS  61 -15.443  -3.233   7.747
  423    HA   LYS  61           HA       LYS  61 -17.672  -4.344   9.211
  424   1HB   LYS  61          2HB       LYS  61 -15.992  -2.758  10.669
  425   2HB   LYS  61          1HB       LYS  61 -17.136  -1.574  10.051
  426   1HG   LYS  61          2HG       LYS  61 -18.718  -2.228  11.465
  427   2HG   LYS  61          1HG       LYS  61 -18.471  -3.932  11.072
  428   1HD   LYS  61          2HD       LYS  61 -16.230  -3.324  12.528
  429   2HD   LYS  61          1HD       LYS  61 -17.475  -2.358  13.321
  430   1HE   LYS  61          2HE       LYS  61 -17.852  -5.273  12.692
  431   2HE   LYS  61          1HE       LYS  61 -17.117  -4.718  14.197
  432   1HZ   LYS  61          1HZ       LYS  61 -19.280  -3.245  14.249
  433   2HZ   LYS  61          2HZ       LYS  61 -19.282  -4.839  14.828
  434   3HZ   LYS  61          3HZ       LYS  61 -19.889  -4.499  13.282
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1 -16.868  13.769  -7.786
    2   2H    GLY   1          2H        GLY   1 -17.180  12.149  -7.388
    3   3H    GLY   1          3H        GLY   1 -15.631  12.795  -7.158
    4   1HA   GLY   1          2HA       GLY   1 -17.183  14.481  -5.718
    5   2HA   GLY   1          1HA       GLY   1 -17.941  12.915  -5.458
    6    HA   PRO   2           HA       PRO   2 -14.341  13.517  -2.483
    7   1HB   PRO   2          2HB       PRO   2 -16.356  12.448  -0.599
    8   2HB   PRO   2          1HB       PRO   2 -15.281  13.839  -0.425
    9   1HG   PRO   2          2HG       PRO   2 -17.899  14.166  -0.837
   10   2HG   PRO   2          1HG       PRO   2 -16.710  15.254  -1.578
   11   1HD   PRO   2          2HD       PRO   2 -18.214  12.970  -2.801
   12   2HD   PRO   2          1HD       PRO   2 -17.847  14.568  -3.484
   13    H    LEU   3           H        LEU   3 -13.212  11.818  -3.362
   14    HA   LEU   3           HA       LEU   3 -14.166   9.096  -3.013
   15   1HB   LEU   3          2HB       LEU   3 -12.237  10.478  -4.708
   16   2HB   LEU   3          1HB       LEU   3 -11.603   8.976  -4.066
   17    HG   LEU   3           HG       LEU   3 -13.308   7.693  -5.119
   18   1HD1  LEU   3          1HD1      LEU   3 -14.754  10.222  -5.104
   19   2HD1  LEU   3          2HD1      LEU   3 -14.887   9.350  -6.632
   20   3HD1  LEU   3          3HD1      LEU   3 -15.362   8.566  -5.124
   21   1HD2  LEU   3          1HD2      LEU   3 -11.909   7.917  -6.859
   22   2HD2  LEU   3          2HD2      LEU   3 -13.190   8.925  -7.535
   23   3HD2  LEU   3          3HD2      LEU   3 -11.827   9.672  -6.699
   24    H    GLY   4           H        GLY   4 -12.968   7.479  -1.924
   25   1HA   GLY   4          1HA       GLY   4 -11.222   6.751  -0.473
   26   2HA   GLY   4          2HA       GLY   4 -10.871   8.431  -0.095
   27    H    SER   5           H        SER   5 -14.064   7.017  -0.138
   28    HA   SER   5           HA       SER   5 -14.738   8.088   2.368
   29   1HB   SER   5          2HB       SER   5 -16.485   5.925   1.618
   30   2HB   SER   5          1HB       SER   5 -16.796   7.663   1.598
   31    HG   SER   5           HG       SER   5 -16.542   7.656  -0.481
   32    H    ASP   6           H        ASP   6 -14.836   4.614   1.535
   33    HA   ASP   6           HA       ASP   6 -13.709   4.056   4.200
   34   1HB   ASP   6          2HB       ASP   6 -16.051   3.609   4.401
   35   2HB   ASP   6          1HB       ASP   6 -16.073   2.722   2.880
   36    H    HIS   7           H        HIS   7 -14.244   2.870   0.908
   37    HA   HIS   7           HA       HIS   7 -11.947   1.068   1.310
   38   1HB   HIS   7          2HB       HIS   7 -14.380   0.203   0.633
   39   2HB   HIS   7          1HB       HIS   7 -13.798   0.618  -0.978
   40    HD2  HIS   7           2HD      HIS   7 -10.759  -0.442  -0.746
   41    HE1  HIS   7           1HE      HIS   7 -12.554  -4.102   0.384
   42    HE2  HIS   7           2HE      HIS   7 -10.363  -2.946  -0.165
   43    H    HIS   8           H        HIS   8 -10.806   3.158   0.892
   44    HA   HIS   8           HA       HIS   8  -9.607   3.071  -1.630
   45   1HB   HIS   8          2HB       HIS   8 -11.822   4.147  -2.258
   46   2HB   HIS   8          1HB       HIS   8 -11.324   5.536  -1.299
   47    HD2  HIS   8           2HD      HIS   8  -9.082   3.599  -3.898
   48    HE1  HIS   8           1HE      HIS   8  -9.477   7.644  -5.066
   49    HE2  HIS   8           2HE      HIS   8  -8.478   5.393  -5.674
   50    H    MET   9           H        MET   9  -7.644   3.371  -0.839
   51    HA   MET   9           HA       MET   9  -7.161   5.762   0.814
   52   1HB   MET   9          2HB       MET   9  -6.825   3.030   1.548
   53   2HB   MET   9          1HB       MET   9  -5.225   3.749   1.405
   54   1HG   MET   9          2HG       MET   9  -6.322   5.664   2.829
   55   2HG   MET   9          1HG       MET   9  -7.430   4.375   3.295
   56   1HE   MET   9          1HE       MET   9  -6.745   3.639   5.924
   57   2HE   MET   9          2HE       MET   9  -5.300   4.510   6.442
   58   3HE   MET   9          3HE       MET   9  -6.565   5.353   5.546
   59    H    GLU  10           H        GLU  10  -6.407   6.960  -0.915
   60    HA   GLU  10           HA       GLU  10  -4.290   5.935  -2.604
   61   1HB   GLU  10          2HB       GLU  10  -5.680   8.604  -2.397
   62   2HB   GLU  10          1HB       GLU  10  -4.320   8.332  -3.479
   63   1HG   GLU  10          2HG       GLU  10  -6.093   6.233  -3.971
   64   2HG   GLU  10          1HG       GLU  10  -7.093   7.680  -3.823
   65    H    PHE  11           H        PHE  11  -3.599   5.844   0.058
   66    HA   PHE  11           HA       PHE  11  -1.105   7.184   0.060
   67   1HB   PHE  11          2HB       PHE  11  -1.438   8.474   2.170
   68   2HB   PHE  11          1HB       PHE  11  -2.366   9.112   0.817
   69    HD1  PHE  11           1HD      PHE  11  -2.489   7.659   4.118
   70    HD2  PHE  11           2HD      PHE  11  -4.816   8.748   0.728
   71    HE1  PHE  11           1HE      PHE  11  -4.531   7.534   5.481
   72    HE2  PHE  11           2HE      PHE  11  -6.864   8.623   2.086
   73    HZ   PHE  11           HZ       PHE  11  -6.723   8.018   4.470
   74    H    CYS  12           H        CYS  12   0.079   6.662   2.157
   75    HA   CYS  12           HA       CYS  12  -0.056   3.899   2.553
   76   1HB   CYS  12          2HB       CYS  12   1.333   6.082   4.081
   77   2HB   CYS  12          1HB       CYS  12   1.485   4.387   4.528
   78    HG   CYS  12           HG       CYS  12   3.475   5.893   2.694
   79    H    ARG  13           H        ARG  13  -0.941   2.609   4.050
   80    HA   ARG  13           HA       ARG  13  -3.119   3.558   5.607
   81   1HB   ARG  13          2HB       ARG  13  -1.645   0.924   5.707
   82   2HB   ARG  13          1HB       ARG  13  -3.157   1.255   6.543
   83   1HG   ARG  13          2HG       ARG  13  -3.625   1.982   3.896
   84   2HG   ARG  13          1HG       ARG  13  -2.699   0.483   3.807
   85   1HD   ARG  13          2HD       ARG  13  -4.290  -0.687   5.114
   86   2HD   ARG  13          1HD       ARG  13  -5.100   0.808   5.584
   87    HE   ARG  13           HE       ARG  13  -5.089  -0.131   2.793
   88   1HH1  ARG  13          2HH1      ARG  13  -6.800   0.916   5.660
   89   2HH1  ARG  13          1HH1      ARG  13  -8.333   1.074   4.850
   90   1HH2  ARG  13          2HH2      ARG  13  -7.091   0.054   1.713
   91   2HH2  ARG  13          1HH2      ARG  13  -8.502   0.561   2.601
   92    H    VAL  14           H        VAL  14   0.253   2.959   6.319
   93    HA   VAL  14           HA       VAL  14  -0.184   3.452   9.176
   94    HB   VAL  14           HB       VAL  14   2.542   2.925   8.102
   95   1HG1  VAL  14          1HG1      VAL  14   2.297   1.329  10.219
   96   2HG1  VAL  14          2HG1      VAL  14   2.680   3.044  10.362
   97   3HG1  VAL  14          3HG1      VAL  14   1.026   2.488  10.609
   98   1HG2  VAL  14          1HG2      VAL  14   1.554   1.254   6.835
   99   2HG2  VAL  14          2HG2      VAL  14   1.956   0.410   8.331
  100   3HG2  VAL  14          3HG2      VAL  14   0.299   0.943   8.036
  101    H    CYS  15           H        CYS  15   2.350   4.364   6.883
  102    HA   CYS  15           HA       CYS  15   2.924   6.799   8.226
  103   1HB   CYS  15          2HB       CYS  15   4.320   6.733   5.819
  104   2HB   CYS  15          1HB       CYS  15   4.886   6.173   7.393
  105    H    LYS  16           H        LYS  16   0.362   6.267   6.475
  106    HA   LYS  16           HA       LYS  16  -1.054   7.528   5.125
  107   1HB   LYS  16          2HB       LYS  16  -0.124   9.362   7.332
  108   2HB   LYS  16          1HB       LYS  16  -1.544   9.660   6.340
  109   1HG   LYS  16          2HG       LYS  16  -1.854   7.057   7.306
  110   2HG   LYS  16          1HG       LYS  16  -1.246   8.003   8.668
  111   1HD   LYS  16          2HD       LYS  16  -3.067   9.726   7.787
  112   2HD   LYS  16          1HD       LYS  16  -3.801   8.245   7.171
  113   1HE   LYS  16          2HE       LYS  16  -2.947   7.796   9.851
  114   2HE   LYS  16          1HE       LYS  16  -3.882   9.291   9.802
  115   1HZ   LYS  16          1HZ       LYS  16  -5.471   7.800   8.357
  116   2HZ   LYS  16          2HZ       LYS  16  -5.549   7.776  10.049
  117   3HZ   LYS  16          3HZ       LYS  16  -4.730   6.545   9.228
  118    H    ASP  17           H        ASP  17   1.538   7.651   3.897
  119    HA   ASP  17           HA       ASP  17   1.708  10.468   3.103
  120   1HB   ASP  17          2HB       ASP  17   4.024   9.983   2.494
  121   2HB   ASP  17          1HB       ASP  17   3.718   9.519   4.162
  122    H    GLY  18           H        GLY  18   2.748  10.727   0.866
  123   1HA   GLY  18          1HA       GLY  18   1.688   8.759  -1.044
  124   2HA   GLY  18          2HA       GLY  18   1.294  10.468  -1.248
  125    H    GLY  19           H        GLY  19   2.356  10.213  -3.357
  126   1HA   GLY  19          1HA       GLY  19   4.207  11.146  -4.500
  127   2HA   GLY  19          2HA       GLY  19   5.215  10.806  -3.100
  128    H    GLU  20           H        GLU  20   6.432   9.019  -3.089
  129    HA   GLU  20           HA       GLU  20   6.392   7.270  -5.403
  130   1HB   GLU  20          2HB       GLU  20   8.401   8.105  -3.762
  131   2HB   GLU  20          1HB       GLU  20   8.047   6.529  -3.070
  132   1HG   GLU  20          2HG       GLU  20   9.763   6.192  -4.642
  133   2HG   GLU  20          1HG       GLU  20   8.285   5.580  -5.386
  134    H    LEU  21           H        LEU  21   4.135   6.700  -4.872
  135    HA   LEU  21           HA       LEU  21   3.891   4.783  -2.669
  136   1HB   LEU  21          2HB       LEU  21   2.351   6.973  -3.468
  137   2HB   LEU  21          1HB       LEU  21   1.412   5.570  -3.942
  138    HG   LEU  21           HG       LEU  21   1.353   4.760  -1.678
  139   1HD1  LEU  21          1HD1      LEU  21   3.696   5.652  -1.170
  140   2HD1  LEU  21          2HD1      LEU  21   2.886   7.165  -0.757
  141   3HD1  LEU  21          3HD1      LEU  21   2.500   5.687   0.129
  142   1HD2  LEU  21          1HD2      LEU  21   0.806   7.597  -1.135
  143   2HD2  LEU  21          2HD2      LEU  21   0.032   6.929  -2.573
  144   3HD2  LEU  21          3HD2      LEU  21  -0.243   6.185  -0.998
  145    H    LEU  22           H        LEU  22   3.074   2.773  -2.958
  146    HA   LEU  22           HA       LEU  22   2.665   1.901  -5.740
  147   1HB   LEU  22          2HB       LEU  22   4.286   0.827  -3.618
  148   2HB   LEU  22          1HB       LEU  22   3.078  -0.350  -4.100
  149    HG   LEU  22           HG       LEU  22   4.303   0.812  -6.434
  150   1HD1  LEU  22          1HD1      LEU  22   6.369   1.139  -5.639
  151   2HD1  LEU  22          2HD1      LEU  22   6.077   0.164  -4.197
  152   3HD1  LEU  22          3HD1      LEU  22   6.488  -0.620  -5.723
  153   1HD2  LEU  22          1HD2      LEU  22   4.204  -1.963  -5.265
  154   2HD2  LEU  22          2HD2      LEU  22   3.121  -1.279  -6.477
  155   3HD2  LEU  22          3HD2      LEU  22   4.813  -1.579  -6.874
  156    H    CYS  23           H        CYS  23   0.800   0.899  -6.243
  157    HA   CYS  23           HA       CYS  23  -1.114   0.396  -4.061
  158   1HB   CYS  23          2HB       CYS  23  -2.246   1.064  -6.696
  159   2HB   CYS  23          1HB       CYS  23  -2.722   1.612  -5.093
  160    HG   CYS  23           HG       CYS  23  -2.084   3.992  -5.955
  161    H    CYS  24           H        CYS  24  -2.325  -1.460  -4.200
  162    HA   CYS  24           HA       CYS  24  -1.229  -3.606  -5.659
  163   1HB   CYS  24          2HB       CYS  24  -3.797  -4.326  -4.751
  164   2HB   CYS  24          1HB       CYS  24  -2.254  -4.610  -3.938
  165    H    ASP  25           H        ASP  25  -2.611  -5.110  -6.932
  166    HA   ASP  25           HA       ASP  25  -4.011  -3.659  -9.050
  167   1HB   ASP  25          2HB       ASP  25  -2.250  -5.536  -9.418
  168   2HB   ASP  25          1HB       ASP  25  -3.547  -6.633  -8.977
  169    H    THR  26           H        THR  26  -4.631  -5.256  -6.192
  170    HA   THR  26           HA       THR  26  -7.187  -6.322  -7.088
  171    HB   THR  26           HB       THR  26  -6.905  -7.317  -4.603
  172    HG1  THR  26           1HG      THR  26  -4.952  -6.697  -3.949
  173   1HG2  THR  26          1HG2      THR  26  -7.179  -8.603  -6.681
  174   2HG2  THR  26          2HG2      THR  26  -5.911  -9.291  -5.666
  175   3HG2  THR  26          3HG2      THR  26  -5.482  -8.318  -7.078
  176    H    CYS  27           H        CYS  27  -5.888  -4.084  -4.644
  177    HA   CYS  27           HA       CYS  27  -8.625  -3.151  -4.278
  178   1HB   CYS  27          2HB       CYS  27  -8.759  -3.506  -2.048
  179   2HB   CYS  27          1HB       CYS  27  -7.597  -4.771  -2.397
  180    HA   PRO  28           HA       PRO  28  -6.814   0.766  -4.647
  181   1HB   PRO  28          2HB       PRO  28  -8.695   2.352  -3.584
  182   2HB   PRO  28          1HB       PRO  28  -8.997   1.389  -5.035
  183   1HG   PRO  28          2HG       PRO  28  -9.807   0.858  -2.207
  184   2HG   PRO  28          1HG       PRO  28 -10.731   0.625  -3.701
  185   1HD   PRO  28          2HD       PRO  28  -9.418  -1.388  -2.358
  186   2HD   PRO  28          1HD       PRO  28  -9.808  -1.425  -4.089
  187    H    SER  29           H        SER  29  -5.299  -0.238  -2.740
  188    HA   SER  29           HA       SER  29  -5.214   1.877  -0.692
  189   1HB   SER  29          2HB       SER  29  -4.138  -0.937  -0.388
  190   2HB   SER  29          1HB       SER  29  -4.186   0.319   0.850
  191    HG   SER  29           HG       SER  29  -6.293  -1.211  -0.242
  192    H    SER  30           H        SER  30  -2.880   2.274   0.078
  193    HA   SER  30           HA       SER  30  -0.905   1.751  -2.004
  194   1HB   SER  30          2HB       SER  30  -1.573   4.557  -1.104
  195   2HB   SER  30          1HB       SER  30  -0.376   4.095  -2.314
  196    HG   SER  30           HG       SER  30  -2.631   2.996  -3.072
  197    H    TYR  31           H        TYR  31   1.251   2.058  -1.410
  198    HA   TYR  31           HA       TYR  31   1.845   2.737   1.380
  199   1HB   TYR  31          2HB       TYR  31   2.497   0.084   0.071
  200   2HB   TYR  31          1HB       TYR  31   3.264   0.650   1.547
  201    HD1  TYR  31           1HD      TYR  31   0.239  -0.754   0.077
  202    HD2  TYR  31           2HD      TYR  31   1.994   0.753   3.649
  203    HE1  TYR  31           1HE      TYR  31  -1.550  -1.801   1.395
  204    HE2  TYR  31           2HE      TYR  31   0.208  -0.287   4.971
  205    HH   TYR  31           HH       TYR  31  -2.570  -1.797   3.456
  206    H    HIS  32           H        HIS  32   4.364   2.233   1.630
  207    HA   HIS  32           HA       HIS  32   5.893   3.683  -0.416
  208   1HB   HIS  32          2HB       HIS  32   6.489   2.526   2.312
  209   2HB   HIS  32          1HB       HIS  32   7.806   2.804   1.195
  210    HD2  HIS  32           2HD      HIS  32   8.740   5.341   1.051
  211    HE1  HIS  32           1HE      HIS  32   6.181   6.847   4.072
  212    HE2  HIS  32           2HE      HIS  32   8.368   7.207   2.822
  213    H    ILE  33           H        ILE  33   7.778   1.378   0.975
  214    HA   ILE  33           HA       ILE  33   6.943  -0.873  -0.680
  215    HB   ILE  33           HB       ILE  33   9.187  -1.403  -1.399
  216   1HG1  ILE  33          2HG1      ILE  33  10.213   1.210  -0.316
  217   1HG2  ILE  33          1HG2      ILE  33   8.152  -0.116  -3.021
  218   2HG2  ILE  33          2HG2      ILE  33   8.197   1.345  -2.035
  219   3HG2  ILE  33          3HG2      ILE  33   9.678   0.732  -2.771
  220   1HD1  ILE  33          1HD1      ILE  33  12.213  -0.663  -0.209
  221   2HD1  ILE  33          2HD1      ILE  33  11.360  -1.068  -1.699
  222   3HD1  ILE  33          3HD1      ILE  33  11.998   0.560  -1.461
  223    H    HIS  34           H        HIS  34   7.119   0.128   2.271
  224    HA   HIS  34           HA       HIS  34   7.898  -2.406   3.423
  225   1HB   HIS  34          2HB       HIS  34   9.623  -1.371   4.905
  226   2HB   HIS  34          1HB       HIS  34  10.079  -1.430   3.208
  227    HD2  HIS  34           2HD      HIS  34   9.875   1.032   6.059
  228    HE1  HIS  34           1HE      HIS  34  10.217   3.296   2.504
  229    HE2  HIS  34           2HE      HIS  34  10.196   3.397   5.038
  230    H    CYS  35           H        CYS  35   5.562  -0.463   3.395
  231    HA   CYS  35           HA       CYS  35   5.396   0.383   6.168
  232   1HB   CYS  35          2HB       CYS  35   3.048   0.483   4.338
  233   2HB   CYS  35          1HB       CYS  35   3.652   1.702   5.461
  234    H    LEU  36           H        LEU  36   4.534  -2.254   4.221
  235    HA   LEU  36           HA       LEU  36   2.418  -3.192   5.994
  236   1HB   LEU  36          2HB       LEU  36   1.928  -4.790   4.212
  237   2HB   LEU  36          1HB       LEU  36   1.971  -3.152   3.604
  238    HG   LEU  36           HG       LEU  36   4.538  -4.538   3.361
  239   1HD1  LEU  36          1HD1      LEU  36   2.120  -5.556   1.884
  240   2HD1  LEU  36          2HD1      LEU  36   3.787  -5.875   1.407
  241   3HD1  LEU  36          3HD1      LEU  36   3.184  -6.472   2.951
  242   1HD2  LEU  36          1HD2      LEU  36   4.562  -3.484   1.239
  243   2HD2  LEU  36          2HD2      LEU  36   2.820  -3.211   1.283
  244   3HD2  LEU  36          3HD2      LEU  36   3.881  -2.322   2.378
  245    H    ARG  37           H        ARG  37   3.064  -5.938   4.961
  246    HA   ARG  37           HA       ARG  37   4.439  -7.010   7.151
  247   1HB   ARG  37          2HB       ARG  37   3.393  -7.956   4.555
  248   2HB   ARG  37          1HB       ARG  37   4.720  -8.911   5.202
  249   1HG   ARG  37          2HG       ARG  37   3.210 -10.001   6.399
  250   2HG   ARG  37          1HG       ARG  37   3.040  -8.539   7.371
  251   1HD   ARG  37          2HD       ARG  37   1.516  -8.368   4.918
  252   2HD   ARG  37          1HD       ARG  37   1.063  -9.785   5.863
  253    HE   ARG  37           HE       ARG  37   1.036  -7.027   6.922
  254   1HH1  ARG  37          2HH1      ARG  37  -0.364 -10.220   6.632
  255   2HH1  ARG  37          1HH1      ARG  37  -1.627  -9.913   7.776
  256   1HH2  ARG  37          2HH2      ARG  37  -0.619  -6.617   8.447
  257   2HH2  ARG  37          1HH2      ARG  37  -1.765  -7.869   8.823
  258    HA   PRO  38           HA       PRO  38   8.880  -7.526   6.772
  259   1HB   PRO  38          2HB       PRO  38   8.404  -9.495   4.566
  260   2HB   PRO  38          1HB       PRO  38   9.580  -9.553   5.884
  261   1HG   PRO  38          2HG       PRO  38   7.095 -10.794   5.904
  262   2HG   PRO  38          1HG       PRO  38   8.071 -10.432   7.335
  263   1HD   PRO  38          2HD       PRO  38   5.541  -9.334   6.682
  264   2HD   PRO  38          1HD       PRO  38   6.628  -8.801   7.981
  265    H    ALA  39           H        ALA  39   9.586  -5.681   6.030
  266    HA   ALA  39           HA       ALA  39   8.975  -4.253   3.841
  267   1HB   ALA  39          1HB       ALA  39  10.319  -2.919   4.993
  268   2HB   ALA  39          2HB       ALA  39  11.143  -4.286   5.743
  269   3HB   ALA  39          3HB       ALA  39  11.672  -3.695   4.169
  270    H    LEU  40           H        LEU  40   9.523  -4.042   1.743
  271    HA   LEU  40           HA       LEU  40  10.916  -6.243   0.465
  272   1HB   LEU  40          2HB       LEU  40   9.487  -3.793  -0.566
  273   2HB   LEU  40          1HB       LEU  40  10.396  -4.858  -1.623
  274    HG   LEU  40           HG       LEU  40   8.709  -6.575  -0.233
  275   1HD1  LEU  40          1HD1      LEU  40   6.627  -5.680  -0.036
  276   2HD1  LEU  40          2HD1      LEU  40   7.589  -4.249   0.333
  277   3HD1  LEU  40          3HD1      LEU  40   6.908  -4.462  -1.280
  278   1HD2  LEU  40          1HD2      LEU  40   7.622  -6.850  -2.383
  279   2HD2  LEU  40          2HD2      LEU  40   8.312  -5.328  -2.947
  280   3HD2  LEU  40          3HD2      LEU  40   9.366  -6.695  -2.597
  281    H    TYR  41           H        TYR  41  12.980  -6.200  -0.167
  282    HA   TYR  41           HA       TYR  41  14.602  -3.995   0.679
  283   1HB   TYR  41          2HB       TYR  41  15.344  -6.533  -0.793
  284   2HB   TYR  41          1HB       TYR  41  16.490  -5.394  -0.086
  285    HD1  TYR  41           1HD      TYR  41  15.427  -4.741   2.479
  286    HD2  TYR  41           2HD      TYR  41  15.343  -8.485   0.467
  287    HE1  TYR  41           1HE      TYR  41  15.220  -5.891   4.641
  288    HE2  TYR  41           2HE      TYR  41  15.141  -9.648   2.624
  289    HH   TYR  41           HH       TYR  41  15.922  -8.760   5.282
  290    H    GLU  42           H        GLU  42  13.079  -4.897  -2.218
  291    HA   GLU  42           HA       GLU  42  14.362  -2.628  -3.568
  292   1HB   GLU  42          2HB       GLU  42  13.746  -5.345  -4.704
  293   2HB   GLU  42          1HB       GLU  42  13.815  -3.928  -5.739
  294   1HG   GLU  42          2HG       GLU  42  15.973  -4.374  -5.948
  295   2HG   GLU  42          1HG       GLU  42  16.145  -3.743  -4.310
  296    H    VAL  43           H        VAL  43  12.932  -1.454  -4.946
  297    HA   VAL  43           HA       VAL  43  10.270  -1.289  -4.001
  298    HB   VAL  43           HB       VAL  43  11.262   0.699  -4.867
  299   1HG1  VAL  43          1HG1      VAL  43  11.725   0.841  -7.394
  300   2HG1  VAL  43          2HG1      VAL  43  12.910   0.024  -6.374
  301   3HG1  VAL  43          3HG1      VAL  43  11.773  -0.921  -7.336
  302   1HG2  VAL  43          1HG2      VAL  43   8.780   0.081  -5.401
  303   2HG2  VAL  43          2HG2      VAL  43   9.505   1.533  -6.092
  304   3HG2  VAL  43          3HG2      VAL  43   9.352   0.073  -7.069
  305    HA   PRO  44           HA       PRO  44   8.703  -4.784  -6.215
  306   1HB   PRO  44          2HB       PRO  44   6.019  -4.113  -5.858
  307   2HB   PRO  44          1HB       PRO  44   7.000  -5.094  -4.769
  308   1HG   PRO  44          2HG       PRO  44   6.242  -2.231  -4.581
  309   2HG   PRO  44          1HG       PRO  44   6.519  -3.414  -3.291
  310   1HD   PRO  44          2HD       PRO  44   8.305  -1.481  -3.906
  311   2HD   PRO  44          1HD       PRO  44   8.794  -3.072  -3.292
  312    H    ASP  45           H        ASP  45   8.389  -5.102  -8.284
  313    HA   ASP  45           HA       ASP  45   7.150  -2.969  -9.897
  314   1HB   ASP  45          2HB       ASP  45   9.507  -2.897 -10.347
  315   2HB   ASP  45          1HB       ASP  45   9.591  -4.649 -10.502
  316    H    GLY  46           H        GLY  46   5.558  -3.605 -11.240
  317   1HA   GLY  46          1HA       GLY  46   4.572  -5.235 -12.742
  318   2HA   GLY  46          2HA       GLY  46   5.228  -6.500 -11.710
  319    H    GLU  47           H        GLU  47   3.135  -7.422 -11.517
  320    HA   GLU  47           HA       GLU  47   0.973  -5.913 -10.384
  321   1HB   GLU  47          2HB       GLU  47   1.086  -8.912 -10.391
  322   2HB   GLU  47          1HB       GLU  47  -0.308  -7.857 -10.574
  323   1HG   GLU  47          2HG       GLU  47  -0.130  -8.452 -12.726
  324   2HG   GLU  47          1HG       GLU  47   1.072  -7.164 -12.767
  325    H    TRP  48           H        TRP  48   1.702  -5.088  -8.448
  326    HA   TRP  48           HA       TRP  48   2.472  -6.987  -6.349
  327   1HB   TRP  48          2HB       TRP  48   3.946  -5.071  -6.554
  328   2HB   TRP  48          1HB       TRP  48   2.583  -3.962  -6.484
  329    HD1  TRP  48           HD       TRP  48   4.584  -6.355  -4.221
  330    HE1  TRP  48           1HE      TRP  48   4.280  -5.590  -1.783
  331    HE3  TRP  48           3HE      TRP  48   1.117  -2.661  -4.951
  332    HZ2  TRP  48           2HZ      TRP  48   2.774  -3.672  -0.362
  333    HZ3  TRP  48           3HZ      TRP  48   0.295  -1.418  -2.997
  334    HH2  TRP  48           HH       TRP  48   1.110  -1.910  -0.754
  335    H    GLN  49           H        GLN  49   1.305  -7.071  -4.381
  336    HA   GLN  49           HA       GLN  49  -1.293  -5.710  -4.342
  337   1HB   GLN  49          2HB       GLN  49  -0.868  -8.678  -3.944
  338   2HB   GLN  49          1HB       GLN  49  -2.368  -7.831  -3.597
  339   1HG   GLN  49          2HG       GLN  49  -2.810  -7.431  -5.844
  340   2HG   GLN  49          1HG       GLN  49  -1.136  -7.708  -6.322
  341   1HE2  GLN  49          1HE2      GLN  49  -3.000  -9.722  -4.161
  342   2HE2  GLN  49          2HE2      GLN  49  -3.064 -11.112  -5.192
  343    H    CYS  50           H        CYS  50  -1.944  -5.065  -2.336
  344    HA   CYS  50           HA       CYS  50  -0.037  -5.323  -0.181
  345   1HB   CYS  50          2HB       CYS  50  -1.086  -3.528   0.794
  346   2HB   CYS  50          1HB       CYS  50  -1.526  -3.254  -0.886
  347    HA   PRO  51           HA       PRO  51  -2.082  -8.508   2.029
  348   1HB   PRO  51          2HB       PRO  51  -1.778  -7.316   4.637
  349   2HB   PRO  51          1HB       PRO  51  -0.790  -8.566   3.879
  350   1HG   PRO  51          2HG       PRO  51   0.093  -6.026   4.414
  351   2HG   PRO  51          1HG       PRO  51   0.763  -7.062   3.144
  352   1HD   PRO  51          2HD       PRO  51  -1.201  -4.821   2.921
  353   2HD   PRO  51          1HD       PRO  51   0.150  -5.254   1.848
  354    H    ARG  52           H        ARG  52  -3.703  -5.777   1.581
  355    HA   ARG  52           HA       ARG  52  -5.780  -6.419   3.560
  356   1HB   ARG  52          2HB       ARG  52  -4.782  -3.874   2.444
  357   2HB   ARG  52          1HB       ARG  52  -6.520  -3.977   2.690
  358   1HG   ARG  52          2HG       ARG  52  -4.359  -4.313   4.753
  359   2HG   ARG  52          1HG       ARG  52  -5.544  -3.012   4.639
  360   1HD   ARG  52          2HD       ARG  52  -7.259  -4.991   4.811
  361   2HD   ARG  52          1HD       ARG  52  -5.895  -5.835   5.540
  362    HE   ARG  52           HE       ARG  52  -5.842  -3.747   7.062
  363   1HH1  ARG  52          2HH1      ARG  52  -8.747  -5.185   5.725
  364   2HH1  ARG  52          1HH1      ARG  52  -9.736  -4.754   7.088
  365   1HH2  ARG  52          2HH2      ARG  52  -7.142  -3.169   8.843
  366   2HH2  ARG  52          1HH2      ARG  52  -8.830  -3.578   8.849
  367    H    CYS  53           H        CYS  53  -5.177  -6.354   0.130
  368    HA   CYS  53           HA       CYS  53  -7.927  -6.085  -0.616
  369   1HB   CYS  53          2HB       CYS  53  -6.534  -7.579  -2.576
  370   2HB   CYS  53          1HB       CYS  53  -7.031  -5.898  -2.646
  371    H    THR  54           H        THR  54  -5.670  -8.801  -0.521
  372    HA   THR  54           HA       THR  54  -5.944 -11.045  -0.316
  373    HB   THR  54           HB       THR  54  -8.181 -11.174   1.451
  374    HG1  THR  54           1HG      THR  54  -7.740  -8.830   1.584
  375   1HG2  THR  54          1HG2      THR  54  -6.702 -12.323   2.709
  376   2HG2  THR  54          2HG2      THR  54  -5.474 -11.060   2.598
  377   3HG2  THR  54          3HG2      THR  54  -5.677 -12.213   1.278
  378    H    CYS  55           H        CYS  55  -6.869 -10.746  -2.616
  379    HA   CYS  55           HA       CYS  55  -9.682 -11.501  -2.818
  380   1HB   CYS  55          2HB       CYS  55  -8.858  -9.862  -4.425
  381   2HB   CYS  55          1HB       CYS  55  -7.585 -10.965  -4.935
  382    HG   CYS  55           HG       CYS  55 -10.385 -10.552  -6.357
  383    HA   PRO  56           HA       PRO  56  -8.215 -15.730  -2.803
  384   1HB   PRO  56          2HB       PRO  56 -10.594 -16.897  -2.389
  385   2HB   PRO  56          1HB       PRO  56  -9.766 -16.003  -1.109
  386   1HG   PRO  56          2HG       PRO  56 -12.024 -15.141  -2.868
  387   2HG   PRO  56          1HG       PRO  56 -11.797 -14.877  -1.130
  388   1HD   PRO  56          2HD       PRO  56 -11.247 -13.004  -3.063
  389   2HD   PRO  56          1HD       PRO  56 -10.476 -13.038  -1.465
  390    H    ALA  57           H        ALA  57  -8.414 -14.502  -5.307
  391    HA   ALA  57           HA       ALA  57  -8.753 -14.889  -7.521
  392   1HB   ALA  57          1HB       ALA  57  -9.162 -17.790  -7.122
  393   2HB   ALA  57          2HB       ALA  57  -8.075 -16.934  -8.216
  394   3HB   ALA  57          3HB       ALA  57  -7.656 -17.106  -6.512
  395    H    LEU  58           H        LEU  58 -10.885 -13.794  -7.020
  396    HA   LEU  58           HA       LEU  58 -13.265 -15.264  -6.764
  397   1HB   LEU  58          2HB       LEU  58 -12.766 -12.503  -7.876
  398   2HB   LEU  58          1HB       LEU  58 -14.366 -13.164  -7.599
  399    HG   LEU  58           HG       LEU  58 -12.277 -12.605  -5.491
  400   1HD1  LEU  58          1HD1      LEU  58 -14.717 -11.293  -4.999
  401   2HD1  LEU  58          2HD1      LEU  58 -13.166 -10.574  -5.431
  402   3HD1  LEU  58          3HD1      LEU  58 -14.319 -11.008  -6.694
  403   1HD2  LEU  58          1HD2      LEU  58 -14.017 -14.631  -5.326
  404   2HD2  LEU  58          2HD2      LEU  58 -13.537 -13.660  -3.933
  405   3HD2  LEU  58          3HD2      LEU  58 -15.052 -13.316  -4.766
  406    H    LYS  59           H        LYS  59 -11.411 -14.285  -9.568
  407    HA   LYS  59           HA       LYS  59 -13.201 -15.927 -11.224
  408   1HB   LYS  59          2HB       LYS  59 -12.094 -13.194 -11.811
  409   2HB   LYS  59          1HB       LYS  59 -12.518 -14.291 -13.117
  410   1HG   LYS  59          2HG       LYS  59 -14.795 -14.455 -11.859
  411   2HG   LYS  59          1HG       LYS  59 -14.278 -12.929 -11.138
  412   1HD   LYS  59          2HD       LYS  59 -14.931 -11.851 -12.965
  413   2HD   LYS  59          1HD       LYS  59 -13.775 -12.781 -13.922
  414   1HE   LYS  59          2HE       LYS  59 -15.911 -14.517 -13.461
  415   2HE   LYS  59          1HE       LYS  59 -16.653 -12.962 -13.831
  416   1HZ   LYS  59          1HZ       LYS  59 -14.509 -14.109 -15.514
  417   2HZ   LYS  59          2HZ       LYS  59 -15.611 -12.882 -15.904
  418   3HZ   LYS  59          3HZ       LYS  59 -16.145 -14.491 -15.763
  419    H    GLY  60           H        GLY  60 -10.000 -14.348 -11.122
  420   1HA   GLY  60          1HA       GLY  60  -8.668 -16.834 -11.646
  421   2HA   GLY  60          2HA       GLY  60  -8.683 -15.780 -13.054
  422    H    LYS  61           H        LYS  61  -7.085 -16.571 -10.211
  423    HA   LYS  61           HA       LYS  61  -5.375 -14.197 -10.488
  424   1HB   LYS  61          2HB       LYS  61  -6.674 -15.258  -8.017
  425   2HB   LYS  61          1HB       LYS  61  -5.044 -14.618  -7.881
  426   1HG   LYS  61          2HG       LYS  61  -7.480 -13.149  -8.865
  427   2HG   LYS  61          1HG       LYS  61  -6.635 -12.903  -7.336
  428   1HD   LYS  61          2HD       LYS  61  -5.236 -12.577  -9.971
  429   2HD   LYS  61          1HD       LYS  61  -6.168 -11.261  -9.256
  430   1HE   LYS  61          2HE       LYS  61  -4.457 -10.743  -7.945
  431   2HE   LYS  61          1HE       LYS  61  -4.479 -12.362  -7.250
  432   1HZ   LYS  61          1HZ       LYS  61  -2.599 -12.829  -8.295
  433   2HZ   LYS  61          2HZ       LYS  61  -2.533 -11.241  -8.887
  434   3HZ   LYS  61          3HZ       LYS  61  -3.286 -12.454  -9.801