*HEADER    SIGNALING PROTEIN                       15-SEP-04   1XFN              
*TITLE     NMR STRUCTURE OF THE GROUND STATE OF THE PHOTOACTIVE YELLOW           
*TITLE    2 PROTEIN LACKING THE N-TERMINAL PART                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHOTOACTIVE YELLOW PROTEIN;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 26-125;                                           
*COMPND   5 SYNONYM: PYP;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA;                       
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    PAS DOMAIN                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.BERNARD, K.HOUBEN, N.M.DERIX, D.MARKS, M.A.VAN DER HORST,           
*AUTHOR   2 K.J.HELLINGWERF, R.BOELENS, R.KAPTEIN, N.A.VAN NULAND                
*REVDAT   2   23-MAY-06 1XFN    1       REVISED CONSTRAINT FILE                  
*REVDAT   1   16-AUG-05 1XFN    0                                                


! Unambiguous restraints from final ARIA run
! ==========================================
!
 ASSI {    1}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak     1 spectrum    1 weight  0.11000E+01 volume  0.10013E-02 ppm1      9.314 ppm2      5.158 CV     1
 ASSI {    1}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.11000E+01 volume  0.67286E-03 ppm1      9.673 ppm2      4.394 CV     1
 ASSI {    2}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.500     1.500 peak     2 spectrum    1 weight  0.11000E+01 volume  0.14382E-02 ppm1      9.673 ppm2      1.399 CV     1
 ASSI {    4}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.800     1.800     1.800 peak     4 spectrum    1 weight  0.11000E+01 volume  0.29831E-03 ppm1      8.955 ppm2      1.710 CV     1
 ASSI {    5}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      4.400     2.400     1.600 peak     5 spectrum    1 weight  0.11000E+01 volume  0.16198E-03 ppm1      8.955 ppm2      1.367 CV     1
 ASSI {    6}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak     6 spectrum    1 weight  0.11000E+01 volume  0.50871E-03 ppm1      9.493 ppm2      1.637 CV     1
 ASSI {    7}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.200     1.300     1.300 peak     7 spectrum    1 weight  0.11000E+01 volume  0.10485E-02 ppm1      9.493 ppm2      1.792 CV     1
 ASSI {   10}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.300     1.400     1.400 peak    10 spectrum    1 weight  0.11000E+01 volume  0.85214E-03 ppm1      9.117 ppm2      2.915 CV     1
 ASSI {   11}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.600     1.600     1.600 peak    11 spectrum    1 weight  0.11000E+01 volume  0.31366E-03 ppm1      9.117 ppm2      3.413 CV     1
 ASSI {   12}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      3.300     1.400     1.400 peak    12 spectrum    1 weight  0.11000E+01 volume  0.72325E-03 ppm1      8.999 ppm2      0.462 CV     1
 ASSI {   13}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      2.900     1.000     1.000 peak    13 spectrum    1 weight  0.11000E+01 volume  0.22988E-02 ppm1      8.999 ppm2      0.570 CV     1
 ASSI {   20}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     3.100     2.900 peak    20 spectrum    1 weight  0.11000E+01 volume  0.11617E-02 ppm1      8.345 ppm2      1.489 CV     1
 ASSI {   21}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak    21 spectrum    1 weight  0.11000E+01 volume  0.64230E-03 ppm1      8.345 ppm2      4.227 CV     1
 ASSI {   26}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HG2%)
      6.000     6.000     0.000 peak    26 spectrum    1 weight  0.11000E+01 volume  0.42883E-05 ppm1      7.558 ppm2      0.858 CV     1
 ASSI {   27}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      4.100     2.100     1.900 peak    27 spectrum    1 weight  0.11000E+01 volume  0.18373E-03 ppm1      9.322 ppm2      4.693 CV     1
 ASSI {   28}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.700     1.700     1.700 peak    28 spectrum    1 weight  0.11000E+01 volume  0.37242E-03 ppm1      9.322 ppm2      2.565 CV     1
 ASSI {   29}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.700     1.700     1.700 peak    29 spectrum    1 weight  0.11000E+01 volume  0.36178E-03 ppm1      9.321 ppm2      3.000 CV     1
 ASSI {   30}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      4.000     2.000     2.000 peak    30 spectrum    1 weight  0.11000E+01 volume  0.73935E-03 ppm1      9.289 ppm2      3.118 CV     1
 ASSI {   33}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      4.200     2.200     1.800 peak    33 spectrum    1 weight  0.11000E+01 volume  0.17184E-03 ppm1      9.179 ppm2      1.079 CV     1
 ASSI {   34}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.300     2.300     1.700 peak    34 spectrum    1 weight  0.11000E+01 volume  0.16298E-03 ppm1      7.569 ppm2      3.131 CV     1
 ASSI {   35}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak    35 spectrum    1 weight  0.11000E+01 volume  0.36153E-03 ppm1      7.569 ppm2      2.518 CV     1
 ASSI {   39}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      4.100     2.100     1.900 peak    39 spectrum    1 weight  0.11000E+01 volume  0.18686E-03 ppm1      9.261 ppm2      2.121 CV     1
 ASSI {   40}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
      4.700     2.700     1.300 peak    40 spectrum    1 weight  0.11000E+01 volume  0.11680E-03 ppm1      9.261 ppm2      2.594 CV     1
 OR {   40}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
 ASSI {   42}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     0.600     0.600 peak    42 spectrum    1 weight  0.11000E+01 volume  0.52848E-02 ppm1      9.493 ppm2      4.227 CV     1
 ASSI {   43}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      5.600     3.900     0.400 peak    43 spectrum    1 weight  0.11000E+01 volume  0.56891E-04 ppm1      9.493 ppm2      8.347 CV     1
 ASSI {   44}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.200     1.300     1.300 peak    44 spectrum    1 weight  0.11000E+01 volume  0.15283E-02 ppm1      8.888 ppm2      4.717 CV     1
 ASSI {   45}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.200     0.600     0.600 peak    45 spectrum    1 weight  0.11000E+01 volume  0.56776E-02 ppm1      8.269 ppm2      5.543 CV     1
 ASSI {   48}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.200     1.200 peak    48 spectrum    1 weight  0.11000E+01 volume  0.91579E-03 ppm1      8.269 ppm2      3.522 CV     1
 ASSI {   57}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      4.500     2.600     1.500 peak    57 spectrum    1 weight  0.11000E+01 volume  0.13417E-03 ppm1      8.848 ppm2      2.352 CV     1
 ASSI {   58}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
      4.800     2.900     1.200 peak    58 spectrum    1 weight  0.11000E+01 volume  0.11436E-03 ppm1      8.848 ppm2      2.164 CV     1
 ASSI {   59}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      5.100     3.300     0.900 peak    59 spectrum    1 weight  0.11000E+01 volume  0.51280E-04 ppm1      8.848 ppm2      2.016 CV     1
 ASSI {   60}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.000     1.000 peak    60 spectrum    1 weight  0.11000E+01 volume  0.21400E-02 ppm1      8.999 ppm2      5.292 CV     1
 ASSI {   64}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HD1 ))
      4.000     2.000     2.000 peak    64 spectrum    1 weight  0.11000E+01 volume  0.92174E-03 ppm1      9.000 ppm2      1.257 CV     1
 OR {   64}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HD2 ))
 ASSI {   65}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.11000E+01 volume  0.10136E-02 ppm1      8.999 ppm2      1.543 CV     1
 OR {   65}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG1 ))
 ASSI {   66}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      4.700     2.700     1.300 peak    66 spectrum    1 weight  0.11000E+01 volume  0.22892E-03 ppm1      8.999 ppm2      1.717 CV     1
 OR {   66}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {   67}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.11000E+01 volume  0.55858E-02 ppm1      8.999 ppm2      4.622 CV     1
 ASSI {   68}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      6.000     6.000     0.000 peak    68 spectrum    1 weight  0.11000E+01 volume  0.17206E-04 ppm1      9.322 ppm2      2.352 CV     1
 ASSI {   69}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      4.500     2.500     1.500 peak    69 spectrum    1 weight  0.11000E+01 volume  0.23988E-03 ppm1      9.321 ppm2      2.015 CV     1
 ASSI {   70}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
      4.400     2.400     1.600 peak    70 spectrum    1 weight  0.11000E+01 volume  0.24969E-03 ppm1      9.322 ppm2      2.164 CV     1
 ASSI {   71}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      4.100     2.100     1.900 peak    71 spectrum    1 weight  0.11000E+01 volume  0.34037E-03 ppm1      9.321 ppm2      2.090 CV     1
 ASSI {   72}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      6.000     5.000     0.000 peak    72 spectrum    1 weight  0.11000E+01 volume  0.17625E-04 ppm1      8.848 ppm2      2.090 CV     1
 ASSI {   73}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.100     0.500     0.500 peak    73 spectrum    1 weight  0.11000E+01 volume  0.80439E-02 ppm1      9.320 ppm2      5.293 CV     1
 ASSI {   74}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     1.200     1.200 peak    74 spectrum    1 weight  0.11000E+01 volume  0.15537E-02 ppm1      9.321 ppm2      4.622 CV     1
 ASSI {   75}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.400     0.700     0.700 peak    75 spectrum    1 weight  0.11000E+01 volume  0.40874E-02 ppm1      7.507 ppm2      4.693 CV     1
 ASSI {   79}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak    79 spectrum    1 weight  0.11000E+01 volume  0.15899E-02 ppm1      9.146 ppm2      9.324 CV     1
 ASSI {   82}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     1.100     1.100 peak    82 spectrum    1 weight  0.11000E+01 volume  0.13162E-02 ppm1      9.145 ppm2      4.905 CV     1
 ASSI {   83}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.11000E+01 volume  0.46345E-02 ppm1      8.888 ppm2      4.905 CV     1
 ASSI {   84}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.200     0.600     0.600 peak    84 spectrum    1 weight  0.11000E+01 volume  0.48728E-02 ppm1      9.145 ppm2      4.717 CV     1
 ASSI {   92}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.500     1.500     1.500 peak    92 spectrum    1 weight  0.11000E+01 volume  0.68580E-03 ppm1      9.204 ppm2      1.338 CV     1
 ASSI {  105}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak   105 spectrum    1 weight  0.11000E+01 volume  0.23204E-02 ppm1      7.969 ppm2      8.320 CV     1
 ASSI {  109}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.11000E+01 volume  0.30002E-02 ppm1      8.311 ppm2      7.590 CV     1
 ASSI {  114}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.11000E+01 volume  0.26341E-02 ppm1      7.588 ppm2      8.125 CV     1
 ASSI {  116}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      5.400     3.700     0.600 peak   116 spectrum    1 weight  0.11000E+01 volume  0.41427E-04 ppm1      8.120 ppm2      1.429 CV     1
 ASSI {  126}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.700     2.700     1.300 peak   126 spectrum    1 weight  0.11000E+01 volume  0.41639E-04 ppm1      7.863 ppm2      4.075 CV     1
 ASSI {  131}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     5.800     0.000 peak   131 spectrum    1 weight  0.11000E+01 volume  0.43614E-05 ppm1      8.135 ppm2      4.397 CV     1
 ASSI {  133}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.800     2.800     1.200 peak   133 spectrum    1 weight  0.11000E+01 volume  0.12097E-03 ppm1      9.088 ppm2      3.052 CV     1
 ASSI {  134}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak   134 spectrum    1 weight  0.11000E+01 volume  0.26171E-02 ppm1      9.088 ppm2      4.428 CV     1
 ASSI {  136}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.200     0.600     0.600 peak   136 spectrum    1 weight  0.11000E+01 volume  0.62473E-02 ppm1      9.204 ppm2      5.455 CV     1
 ASSI {  144}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.800     0.800 peak   144 spectrum    1 weight  0.11000E+01 volume  0.31861E-02 ppm1      7.559 ppm2      5.168 CV     1
 ASSI {  145}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.800     0.900     0.900 peak   145 spectrum    1 weight  0.11000E+01 volume  0.21831E-02 ppm1      9.213 ppm2      4.313 CV     1
 ASSI {  146}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.200     0.600     0.600 peak   146 spectrum    1 weight  0.11000E+01 volume  0.53247E-02 ppm1      7.559 ppm2      4.313 CV     1
 ASSI {  152}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      3.000     1.100     1.100 peak   152 spectrum    1 weight  0.11000E+01 volume  0.12231E-02 ppm1      9.213 ppm2      8.505 CV     1
 ASSI {  154}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.300     0.700     0.700 peak   154 spectrum    1 weight  0.11000E+01 volume  0.49200E-02 ppm1      8.963 ppm2      4.913 CV     1
 ASSI {  163}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.200     0.600     0.600 peak   163 spectrum    1 weight  0.11000E+01 volume  0.46130E-02 ppm1      9.289 ppm2      4.334 CV     1
 ASSI {  166}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.100     1.100 peak   166 spectrum    1 weight  0.11000E+01 volume  0.97688E-03 ppm1      9.223 ppm2      4.227 CV     1
 ASSI {  170}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.900     1.100     1.100 peak   170 spectrum    1 weight  0.11000E+01 volume  0.11549E-02 ppm1      9.325 ppm2      5.134 CV     1
 ASSI {  175}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.600     0.900     0.900 peak   175 spectrum    1 weight  0.11000E+01 volume  0.22635E-02 ppm1      8.860 ppm2      4.563 CV     1
 ASSI {  185}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.400     1.500     1.500 peak   185 spectrum    1 weight  0.11000E+01 volume  0.11932E-02 ppm1      9.493 ppm2      5.141 CV     1
 ASSI {  188}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.200     0.600     0.600 peak   188 spectrum    1 weight  0.11000E+01 volume  0.53953E-02 ppm1      9.223 ppm2      5.134 CV     1
 ASSI {  195}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.400     0.700     0.700 peak   195 spectrum    1 weight  0.11000E+01 volume  0.34803E-02 ppm1      8.699 ppm2      2.068 CV     1
 ASSI {  196}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   196 spectrum    1 weight  0.11000E+01 volume  0.58787E-02 ppm1      8.699 ppm2      4.942 CV     1
 ASSI {  197}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.900     1.900     1.900 peak   197 spectrum    1 weight  0.11000E+01 volume  0.80017E-03 ppm1      8.699 ppm2      2.152 CV     1
 ASSI {  199}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.100     0.600     0.600 peak   199 spectrum    1 weight  0.11000E+01 volume  0.61641E-02 ppm1      9.673 ppm2      3.983 CV     1
 ASSI {  201}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.11000E+01 volume  0.23864E-02 ppm1      9.104 ppm2      8.277 CV     1
 ASSI {  202}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   202 spectrum    1 weight  0.11000E+01 volume  0.21159E-02 ppm1      8.269 ppm2      3.983 CV     1
 ASSI {  203}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.11000E+01 volume  0.20913E-02 ppm1      9.673 ppm2      5.543 CV     1
 ASSI {  204}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.800     2.800     1.200 peak   204 spectrum    1 weight  0.11000E+01 volume  0.20897E-03 ppm1      8.269 ppm2      9.675 CV     1
 ASSI {  224}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      5.800     4.200     0.200 peak   224 spectrum    1 weight  0.11000E+01 volume  0.37218E-04 ppm1      8.669 ppm2      3.271 CV     1
 ASSI {  225}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.400     1.500     1.500 peak   225 spectrum    1 weight  0.11000E+01 volume  0.49926E-03 ppm1      8.669 ppm2      3.525 CV     1
 ASSI {  226}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak   226 spectrum    1 weight  0.11000E+01 volume  0.15022E-02 ppm1      8.667 ppm2      9.000 CV     1
 ASSI {  227}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.100     0.600     0.600 peak   227 spectrum    1 weight  0.11000E+01 volume  0.65686E-02 ppm1      8.669 ppm2      5.879 CV     1
 ASSI {  229}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      5.100     3.200     0.900 peak   229 spectrum    1 weight  0.11000E+01 volume  0.10772E-03 ppm1      8.668 ppm2      1.814 CV     1
 ASSI {  230}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.800     1.800     1.800 peak   230 spectrum    1 weight  0.11000E+01 volume  0.12456E-02 ppm1      8.668 ppm2      1.905 CV     1
 ASSI {  233}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.300     0.600     0.600 peak   233 spectrum    1 weight  0.11000E+01 volume  0.64636E-02 ppm1      8.848 ppm2      4.967 CV     1
 ASSI {  237}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.11000E+01 volume  0.29980E-02 ppm1      7.802 ppm2      5.554 CV     1
 ASSI {  244}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.11000E+01 volume  0.19953E-02 ppm1      6.328 ppm2      4.481 CV     1
 ASSI {  254}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak   254 spectrum    1 weight  0.11000E+01 volume  0.60335E-03 ppm1      7.085 ppm2      4.953 CV     1
 ASSI {  273}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      4.300     2.300     1.700 peak   273 spectrum    1 weight  0.11000E+01 volume  0.66956E-04 ppm1      7.333 ppm2      3.750 CV     1
 ASSI {  274}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.700     0.000 peak   274 spectrum    1 weight  0.11000E+01 volume  0.60348E-04 ppm1      7.333 ppm2      2.701 CV     1
 ASSI {  282}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.500     1.500     1.500 peak   282 spectrum    1 weight  0.11000E+01 volume  0.96144E-03 ppm1      9.324 ppm2      4.439 CV     1
 ASSI {  287}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.300     1.400     1.400 peak   287 spectrum    1 weight  0.11000E+01 volume  0.28803E-02 ppm1      9.204 ppm2      5.158 CV     1
 ASSI {  288}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.100     1.200     1.200 peak   288 spectrum    1 weight  0.11000E+01 volume  0.22200E-02 ppm1      9.314 ppm2      4.334 CV     1
 ASSI {  289}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.100     1.100 peak   289 spectrum    1 weight  0.11000E+01 volume  0.16182E-02 ppm1      9.261 ppm2      5.879 CV     1
 ASSI {  290}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.200     0.600     0.600 peak   290 spectrum    1 weight  0.11000E+01 volume  0.59305E-02 ppm1      9.315 ppm2      5.948 CV     1
 ASSI {  291}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.200     0.600     0.600 peak   291 spectrum    1 weight  0.11000E+01 volume  0.52414E-02 ppm1      9.117 ppm2      4.767 CV     1
 ASSI {  293}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      3.800     1.800     1.800 peak   293 spectrum    1 weight  0.11000E+01 volume  0.49495E-03 ppm1      9.117 ppm2      0.570 CV     1
 ASSI {  296}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.200     0.600     0.600 peak   296 spectrum    1 weight  0.11000E+01 volume  0.56363E-02 ppm1      9.261 ppm2      5.628 CV     1
 ASSI {  297}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.800     1.000     1.000 peak   297 spectrum    1 weight  0.11000E+01 volume  0.14570E-02 ppm1      9.289 ppm2      9.126 CV     1
 ASSI {  298}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      3.600     1.600     1.600 peak   298 spectrum    1 weight  0.11000E+01 volume  0.10706E-02 ppm1      8.669 ppm2      5.628 CV     1
 ASSI {  322}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.500     2.500     1.500 peak   322 spectrum    1 weight  0.11000E+01 volume  0.66977E-04 ppm1      8.216 ppm2      3.301 CV     1
 ASSI {  324}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak   324 spectrum    1 weight  0.11000E+01 volume  0.19024E-02 ppm1      8.216 ppm2      8.519 CV     1
 ASSI {  328}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.700     2.800     1.300 peak   328 spectrum    1 weight  0.11000E+01 volume  0.59245E-04 ppm1      8.512 ppm2      3.301 CV     1
 ASSI {  339}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.000     1.000 peak   339 spectrum    1 weight  0.11000E+01 volume  0.13173E-02 ppm1      6.547 ppm2      8.914 CV     1
 ASSI {  345}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      5.300     3.600     0.700 peak   345 spectrum    1 weight  0.11000E+01 volume  0.53939E-04 ppm1      8.909 ppm2      4.300 CV     1
 ASSI {  349}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.11000E+01 volume  0.79911E-03 ppm1      8.692 ppm2      8.914 CV     1
 ASSI {  364}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      2.900     1.000     1.000 peak   364 spectrum    1 weight  0.11000E+01 volume  0.13342E-02 ppm1      9.022 ppm2      1.357 CV     1
 ASSI {  366}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   366 spectrum    1 weight  0.11000E+01 volume  0.58150E-02 ppm1      8.345 ppm2      4.522 CV     1
 ASSI {  369}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.900     1.100     1.100 peak   369 spectrum    1 weight  0.11000E+01 volume  0.12225E-02 ppm1      9.021 ppm2      9.224 CV     1
 ASSI {  372}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak   372 spectrum    1 weight  0.11000E+01 volume  0.66094E-03 ppm1      9.179 ppm2      9.413 CV     1
 ASSI {  373}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      2.300     0.600     0.600 peak   373 spectrum    1 weight  0.11000E+01 volume  0.48979E-02 ppm1      8.497 ppm2      4.756 CV     1
 ASSI {  377}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   377 spectrum    1 weight  0.11000E+01 volume  0.12984E-02 ppm1      7.571 ppm2      4.394 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      5.800     4.200     0.200 peak   382 spectrum    1 weight  0.11000E+01 volume  0.12692E-04 ppm1      7.571 ppm2      1.395 CV     1
 OR {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  392}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      5.500     3.700     0.500 peak   392 spectrum    1 weight  0.11000E+01 volume  0.41699E-04 ppm1      8.567 ppm2      1.524 CV     1
 ASSI {  399}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak   399 spectrum    1 weight  0.11000E+01 volume  0.16327E-02 ppm1      8.568 ppm2      8.227 CV     1
 ASSI {  401}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     6.000     0.000 peak   401 spectrum    1 weight  0.11000E+01 volume  0.20710E-04 ppm1      8.219 ppm2      3.711 CV     1
 OR {  401}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  402}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      5.100     3.300     0.900 peak   402 spectrum    1 weight  0.11000E+01 volume  0.64789E-04 ppm1      8.219 ppm2      1.524 CV     1
 ASSI {  410}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   410 spectrum    1 weight  0.11000E+01 volume  0.35365E-02 ppm1      7.895 ppm2      7.765 CV     1
 ASSI {  431}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      6.000     6.000     0.000 peak   431 spectrum    1 weight  0.11000E+01 volume  0.29718E-05 ppm1      7.690 ppm2      4.141 CV     1
 ASSI {  432}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   432 spectrum    1 weight  0.11000E+01 volume  0.13797E-02 ppm1      8.288 ppm2      7.697 CV     1
 ASSI {  438}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   438 spectrum    1 weight  0.11000E+01 volume  0.19358E-02 ppm1      8.103 ppm2      7.697 CV     1
 ASSI {  439}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak   439 spectrum    1 weight  0.11000E+01 volume  0.15402E-02 ppm1      8.103 ppm2      8.835 CV     1
 ASSI {  458}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     6.000     0.000 peak   458 spectrum    1 weight  0.11000E+01 volume  0.15604E-04 ppm1      8.520 ppm2      1.546 CV     1
 OR {  458}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {  459}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.900     3.000     1.100 peak   459 spectrum    1 weight  0.11000E+01 volume  0.98562E-04 ppm1      8.520 ppm2      2.337 CV     1
 OR {  459}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  464}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      6.000     5.600     0.000 peak   464 spectrum    1 weight  0.11000E+01 volume  0.10890E-04 ppm1      6.987 ppm2      0.782 CV     1
 ASSI {  465}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      4.100     2.100     1.900 peak   465 spectrum    1 weight  0.11000E+01 volume  0.23766E-03 ppm1      7.899 ppm2     -0.831 CV     1
 ASSI {  468}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.300     0.700     0.700 peak   468 spectrum    1 weight  0.11000E+01 volume  0.49377E-02 ppm1      7.347 ppm2      6.995 CV     1
 ASSI {  471}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   471 spectrum    1 weight  0.11000E+01 volume  0.26762E-02 ppm1      7.899 ppm2      6.995 CV     1
 ASSI {  475}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      5.200     3.400     0.800 peak   475 spectrum    1 weight  0.11000E+01 volume  0.15649E-03 ppm1      7.899 ppm2      0.780 CV     1
 ASSI {  485}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 61   and name HB1 ))
      4.200     2.200     1.800 peak   485 spectrum    1 weight  0.11000E+01 volume  0.84845E-03 ppm1      6.931 ppm2      2.702 CV     1
 ASSI {  490}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HD22))
      2.000     0.500     0.500 peak   490 spectrum    1 weight  0.11000E+01 volume  0.50728E-02 ppm1      7.271 ppm2      6.931 CV     1
 ASSI {  495}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.11000E+01 volume  0.21964E-02 ppm1      9.382 ppm2      4.942 CV     1
 ASSI {  496}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak   496 spectrum    1 weight  0.11000E+01 volume  0.83082E-03 ppm1      9.383 ppm2      8.699 CV     1
 ASSI {  500}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     5.900     0.000 peak   500 spectrum    1 weight  0.11000E+01 volume  0.23103E-04 ppm1      9.673 ppm2      8.708 CV     1
 ASSI {  503}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.100     1.200     1.200 peak   503 spectrum    1 weight  0.11000E+01 volume  0.10236E-02 ppm1      6.944 ppm2      1.754 CV     1
 ASSI {  508}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      3.100     1.200     1.200 peak   508 spectrum    1 weight  0.11000E+01 volume  0.18335E-02 ppm1      7.778 ppm2      4.335 CV     1
 ASSI {  509}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.11000E+01 volume  0.11586E-02 ppm1      7.778 ppm2      3.659 CV     1
 ASSI {  516}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.600     0.600 peak   516 spectrum    1 weight  0.11000E+01 volume  0.47371E-02 ppm1      7.972 ppm2      6.996 CV     1
 ASSI {  523}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      5.200     3.300     0.800 peak   523 spectrum    1 weight  0.11000E+01 volume  0.93507E-04 ppm1      6.944 ppm2     -0.062 CV     1
 ASSI {  527}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.200     2.200     1.800 peak   527 spectrum    1 weight  0.11000E+01 volume  0.11671E-03 ppm1      8.049 ppm2      1.837 CV     1
 ASSI {  531}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   531 spectrum    1 weight  0.11000E+01 volume  0.37490E-02 ppm1      8.048 ppm2      7.979 CV     1
 ASSI {  554}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     0.900     0.900 peak   554 spectrum    1 weight  0.11000E+01 volume  0.17970E-02 ppm1      7.873 ppm2      6.267 CV     1
 ASSI {  556}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak   556 spectrum    1 weight  0.11000E+01 volume  0.71742E-03 ppm1      9.382 ppm2      6.268 CV     1
 ASSI {  576}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HB1 ))
      4.900     3.000     1.100 peak   576 spectrum    1 weight  0.11000E+01 volume  0.19263E-03 ppm1      6.891 ppm2      2.079 CV     1
 OR {  576}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  583}
   (( segid "    " and resid 89   and name HD22))
   (( segid "    " and resid 89   and name HB2 ))
      3.400     1.400     1.400 peak   583 spectrum    1 weight  0.11000E+01 volume  0.20008E-02 ppm1      7.192 ppm2      3.052 CV     1
 ASSI {  584}
   (( segid "    " and resid 89   and name HD22))
   (( segid "    " and resid 89   and name HB1 ))
      3.700     1.700     1.700 peak   584 spectrum    1 weight  0.11000E+01 volume  0.10918E-02 ppm1      7.192 ppm2      3.265 CV     1
 ASSI {  606}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      5.300     3.500     0.700 peak   606 spectrum    1 weight  0.11000E+01 volume  0.45496E-04 ppm1      7.398 ppm2      3.226 CV     1
 ASSI {  613}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   613 spectrum    1 weight  0.11000E+01 volume  0.35421E-02 ppm1      9.409 ppm2      5.002 CV     1
 ASSI {  614}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     6.000     0.000 peak   614 spectrum    1 weight  0.11000E+01 volume  0.20610E-06 ppm1      9.409 ppm2      3.226 CV     1
 ASSI {  625}
   (( segid "    " and resid 43   and name HD21))
   (  segid "    " and resid 45   and name HB% )
      5.100     3.300     0.900 peak   625 spectrum    1 weight  0.11000E+01 volume  0.62988E-04 ppm1      8.083 ppm2      1.292 CV     1
 ASSI {  626}
   (( segid "    " and resid 43   and name HD21))
   (  segid "    " and resid 30   and name HB% )
      5.000     3.100     1.000 peak   626 spectrum    1 weight  0.11000E+01 volume  0.67821E-04 ppm1      8.083 ppm2      1.539 CV     1
 ASSI {  627}
   (( segid "    " and resid 43   and name HD22))
   (  segid "    " and resid 45   and name HB% )
      4.600     2.700     1.400 peak   627 spectrum    1 weight  0.11000E+01 volume  0.44737E-04 ppm1      7.402 ppm2      1.288 CV     1
 ASSI {  628}
   (( segid "    " and resid 43   and name HD22))
   (  segid "    " and resid 30   and name HB% )
      5.400     3.600     0.600 peak   628 spectrum    1 weight  0.11000E+01 volume  0.53268E-04 ppm1      7.402 ppm2      1.543 CV     1
 ASSI {  629}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     5.800     0.000 peak   629 spectrum    1 weight  0.11000E+01 volume  0.32710E-04 ppm1      7.402 ppm2      3.361 CV     1
 ASSI {  630}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     5.200     0.000 peak   630 spectrum    1 weight  0.11000E+01 volume  0.43740E-04 ppm1      7.402 ppm2      3.705 CV     1
 ASSI {  631}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HB2 ))
      5.300     3.500     0.700 peak   631 spectrum    1 weight  0.11000E+01 volume  0.45303E-04 ppm1      8.083 ppm2      3.360 CV     1
 ASSI {  632}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HB1 ))
      5.800     4.300     0.200 peak   632 spectrum    1 weight  0.11000E+01 volume  0.15078E-04 ppm1      8.083 ppm2      3.711 CV     1
 ASSI {  633}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 29   and name HA2 ))
      5.100     3.200     0.900 peak   633 spectrum    1 weight  0.11000E+01 volume  0.10965E-03 ppm1      7.402 ppm2      4.342 CV     1
 ASSI {  634}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 29   and name HA2 ))
      5.500     3.800     0.500 peak   634 spectrum    1 weight  0.11000E+01 volume  0.32225E-04 ppm1      8.082 ppm2      4.338 CV     1
 ASSI {  635}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HD21))
      3.100     1.200     1.200 peak   635 spectrum    1 weight  0.11000E+01 volume  0.45874E-03 ppm1      7.402 ppm2      8.090 CV     1
 ASSI {  639}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     6.000     0.000 peak   639 spectrum    1 weight  0.11000E+01 volume  0.78781E-05 ppm1      7.124 ppm2      1.489 CV     1
 ASSI {  641}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HB1 ))
      3.700     1.700     1.700 peak   641 spectrum    1 weight  0.11000E+01 volume  0.88521E-03 ppm1      6.727 ppm2      1.528 CV     1
 ASSI {  647}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.11000E+01 volume  0.77207E-03 ppm1      9.021 ppm2      5.991 CV     1
 ASSI {  648}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.200     0.600     0.600 peak   648 spectrum    1 weight  0.11000E+01 volume  0.54027E-02 ppm1      9.179 ppm2      5.991 CV     1
 ASSI {  650}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.100     0.600     0.600 peak   650 spectrum    1 weight  0.11000E+01 volume  0.58748E-02 ppm1      9.022 ppm2      5.570 CV     1
 ASSI {  651}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.11000E+01 volume  0.27674E-02 ppm1      8.369 ppm2      4.345 CV     1
 ASSI {  652}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      3.200     1.300     1.300 peak   652 spectrum    1 weight  0.11000E+01 volume  0.19967E-02 ppm1      8.369 ppm2      4.542 CV     1
 ASSI {  656}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     6.000     0.000 peak   656 spectrum    1 weight  0.11000E+01 volume  0.66817E-05 ppm1      8.867 ppm2     -0.520 CV     1
 ASSI {  661}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HD% )
      5.400     3.700     0.600 peak   661 spectrum    1 weight  0.11000E+01 volume  0.70926E-04 ppm1      8.909 ppm2      6.112 CV     1
 ASSI {  671}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.200     3.300     0.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.85380E-04 ppm1      7.970 ppm2      1.494 CV     1
 OR {  671}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  674}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
      5.100     3.200     0.900 peak   674 spectrum    1 weight  0.11000E+01 volume  0.55368E-04 ppm1      8.715 ppm2      6.948 CV     1
 ASSI {  681}
   (( segid "    " and resid 99   and name HE21))
   (  segid "    " and resid 98   and name HD% )
      2.400     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      6.880 ppm2      7.229 CV     1
 ASSI {  682}
   (( segid "    " and resid 99   and name HE22))
   (  segid "    " and resid 98   and name HD% )
      5.900     4.300     0.100 peak   682 spectrum    1 weight  0.10000E+01 volume  0.91481E-04 ppm1      6.675 ppm2      7.229 CV     1
 ASSI {  692}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      6.000     5.800     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.27392E-04 ppm1      7.874 ppm2      2.716 CV     1
 ASSI {  697}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.500     1.600     1.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.92144E-03 ppm1      7.863 ppm2      7.590 CV     1
 ASSI {  704}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      6.000     5.400     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.15943E-04 ppm1      8.048 ppm2      3.053 CV     1
 ASSI {  705}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      4.500     2.500     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.94652E-04 ppm1      8.048 ppm2      4.147 CV     1
 ASSI {  708}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     5.100     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.17639E-04 ppm1      8.048 ppm2      8.314 CV     1
 ASSI {  715}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      5.900     4.300     0.100 peak   715 spectrum    1 weight  0.11000E+01 volume  0.58939E-04 ppm1      8.489 ppm2      3.847 CV     1
 ASSI {  717}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak   717 spectrum    1 weight  0.11000E+01 volume  0.15295E-02 ppm1      7.895 ppm2      8.227 CV     1
 ASSI {  718}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HZ2 ))
      4.300     2.300     1.700 peak   718 spectrum    1 weight  0.11000E+01 volume  0.18018E-03 ppm1     10.267 ppm2      7.340 CV     1
 ASSI {  721}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HD1 ))
      4.300     2.400     1.700 peak   721 spectrum    1 weight  0.11000E+01 volume  0.13170E-03 ppm1     10.267 ppm2      6.773 CV     1
 ASSI {  723}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 112  and name HA  ))
      4.500     2.600     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.49166E-04 ppm1     10.267 ppm2      4.437 CV     1
 ASSI {  724}
   (( segid "    " and resid 119  and name HE1 ))
   (  segid "    " and resid 112  and name HB% )
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.29553E-04 ppm1     10.267 ppm2      1.482 CV     1
 ASSI {  727}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      3.600     1.600     1.600 peak   727 spectrum    1 weight  0.11000E+01 volume  0.58371E-03 ppm1      9.673 ppm2      0.668 CV     1
 ASSI {  729}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
      2.900     1.100     1.100 peak   729 spectrum    1 weight  0.11000E+01 volume  0.16004E-02 ppm1      9.673 ppm2      1.631 CV     1
 ASSI {  733}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      4.600     2.700     1.400 peak   733 spectrum    1 weight  0.10000E+01 volume  0.14968E-03 ppm1      9.608 ppm2      0.778 CV     1
 ASSI {  735}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      5.200     3.300     0.800 peak   735 spectrum    1 weight  0.11000E+01 volume  0.15276E-03 ppm1      9.608 ppm2      1.318 CV     1
 ASSI {  745}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      5.900     4.400     0.100 peak   745 spectrum    1 weight  0.10000E+01 volume  0.37610E-04 ppm1      9.493 ppm2      3.519 CV     1
 ASSI {  752}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      6.000     5.400     0.000 peak   752 spectrum    1 weight  0.11000E+01 volume  0.60461E-04 ppm1      9.382 ppm2      0.303 CV     1
 ASSI {  767}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      3.900     1.900     1.900 peak   767 spectrum    1 weight  0.11000E+01 volume  0.50274E-03 ppm1      9.314 ppm2      2.194 CV     1
 ASSI {  772}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.000     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      9.315 ppm2      2.118 CV     1
 ASSI {  775}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      5.700     4.100     0.300 peak   775 spectrum    1 weight  0.11000E+01 volume  0.28662E-04 ppm1      9.321 ppm2     -0.110 CV     1
 ASSI {  780}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      4.800     2.900     1.200 peak   780 spectrum    1 weight  0.10000E+01 volume  0.96498E-04 ppm1      9.323 ppm2      7.089 CV     1
 ASSI {  781}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.700     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.37125E-04 ppm1      9.323 ppm2      7.512 CV     1
 ASSI {  782}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD% )
      6.000     6.000     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.13836E-04 ppm1      9.323 ppm2      7.632 CV     1
 ASSI {  786}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      5.300     3.500     0.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.40948E-04 ppm1      9.261 ppm2      1.339 CV     1
 OR {  786}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI {  788}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HD2 ))
      4.500     2.500     1.500 peak   788 spectrum    1 weight  0.10000E+01 volume  0.11051E-03 ppm1      9.262 ppm2      7.078 CV     1
 ASSI {  790}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      3.800     3.800     2.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.14806E-03 ppm1      9.262 ppm2      9.005 CV     1
 ASSI {  792}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.500     1.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.56505E-04 ppm1      9.223 ppm2      5.547 CV     1
 ASSI {  794}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      6.000     4.500     0.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.90351E-05 ppm1      9.223 ppm2      6.782 CV     1
 ASSI {  802}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      2.800     1.000     1.000 peak   802 spectrum    1 weight  0.11000E+01 volume  0.12580E-02 ppm1      9.214 ppm2      1.845 CV     1
 ASSI {  803}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      4.800     2.900     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.10742E-03 ppm1      9.213 ppm2      2.179 CV     1
 ASSI {  807}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     6.000     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.33841E-05 ppm1      9.204 ppm2      2.114 CV     1
 ASSI {  814}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 108  and name HD2 ))
      4.700     2.800     1.300 peak   814 spectrum    1 weight  0.10000E+01 volume  0.95315E-04 ppm1      9.204 ppm2      7.078 CV     1
 ASSI {  815}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.48726E-04 ppm1      9.204 ppm2      8.390 CV     1
 ASSI {  816}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      5.000     3.100     1.000 peak   816 spectrum    1 weight  0.11000E+01 volume  0.65959E-04 ppm1      9.179 ppm2      3.118 CV     1
 ASSI {  819}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 121  and name HD% )
      3.300     1.400     1.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.54454E-03 ppm1      9.289 ppm2      7.221 CV     1
 ASSI {  820}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      5.000     3.100     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.76650E-04 ppm1      9.288 ppm2      4.756 CV     1
 ASSI {  826}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      2.900     1.000     1.000 peak   826 spectrum    1 weight  0.11000E+01 volume  0.14561E-02 ppm1      9.145 ppm2     -0.111 CV     1
 ASSI {  839}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      5.300     3.500     0.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.19001E-04 ppm1      8.999 ppm2      2.354 CV     1
 ASSI {  844}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      4.700     2.800     1.300 peak   844 spectrum    1 weight  0.10000E+01 volume  0.14958E-03 ppm1      9.117 ppm2      5.992 CV     1
 ASSI {  845}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      6.000     4.700     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.30118E-04 ppm1      8.999 ppm2      5.886 CV     1
 ASSI {  846}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.600     1.700     1.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.32203E-03 ppm1      9.117 ppm2      3.063 CV     1
 ASSI {  847}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      5.200     3.300     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.64437E-04 ppm1      8.999 ppm2      4.967 CV     1
 ASSI {  849}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      5.300     3.600     0.700 peak   849 spectrum    1 weight  0.11000E+01 volume  0.57728E-04 ppm1      8.888 ppm2      0.470 CV     1
 ASSI {  852}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HD2 ))
      6.000     5.000     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.35570E-04 ppm1      9.117 ppm2      7.074 CV     1
 ASSI {  855}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.700     2.800     1.300 peak   855 spectrum    1 weight  0.10000E+01 volume  0.26290E-03 ppm1      8.999 ppm2      9.324 CV     1
 ASSI {  861}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      5.300     3.500     0.700 peak   861 spectrum    1 weight  0.10000E+01 volume  0.91963E-04 ppm1      9.104 ppm2      1.794 CV     1
 ASSI {  863}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.400     2.400     1.600 peak   863 spectrum    1 weight  0.10000E+01 volume  0.28997E-03 ppm1      9.104 ppm2      5.549 CV     1
 ASSI {  866}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      5.600     3.900     0.400 peak   866 spectrum    1 weight  0.11000E+01 volume  0.14208E-04 ppm1      9.085 ppm2      1.243 CV     1
 ASSI {  867}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.800     2.800     1.200 peak   867 spectrum    1 weight  0.11000E+01 volume  0.14916E-03 ppm1      9.085 ppm2      1.754 CV     1
 ASSI {  873}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      6.000     6.000     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.16329E-04 ppm1      9.021 ppm2      6.821 CV     1
 ASSI {  875}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 121  and name HD% )
      6.000     6.000     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.82043E-05 ppm1      9.021 ppm2      7.225 CV     1
 ASSI {  887}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     6.000     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.64690E-05 ppm1      8.860 ppm2      1.496 CV     1
 ASSI {  888}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
      6.000     5.600     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.17811E-04 ppm1      8.860 ppm2      1.805 CV     1
 ASSI {  892}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      5.500     3.700     0.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.39106E-04 ppm1      8.848 ppm2      7.098 CV     1
 ASSI {  896}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.40429E-04 ppm1      8.814 ppm2      4.906 CV     1
 ASSI {  899}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      4.800     2.900     1.200 peak   899 spectrum    1 weight  0.10000E+01 volume  0.12057E-03 ppm1      8.814 ppm2      0.947 CV     1
 ASSI {  900}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      5.500     3.800     0.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.89982E-04 ppm1      8.814 ppm2      8.951 CV     1
 ASSI {  904}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD% )
      6.000     6.000     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.12971E-04 ppm1      8.692 ppm2      6.115 CV     1
 ASSI {  908}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      4.400     2.400     1.600 peak   908 spectrum    1 weight  0.11000E+01 volume  0.39344E-03 ppm1      8.699 ppm2      0.676 CV     1
 ASSI {  918}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 59   and name HN  ))
      4.600     2.700     1.400 peak   918 spectrum    1 weight  0.11000E+01 volume  0.13271E-03 ppm1      8.642 ppm2      9.094 CV     1
 ASSI {  919}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.500     1.500 peak   919 spectrum    1 weight  0.11000E+01 volume  0.35786E-03 ppm1      7.383 ppm2      9.094 CV     1
 ASSI {  921}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      3.900     1.900     1.900 peak   921 spectrum    1 weight  0.10000E+01 volume  0.30146E-03 ppm1      8.668 ppm2      0.464 CV     1
 ASSI {  922}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      6.000     6.000     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.39159E-05 ppm1      8.668 ppm2      0.566 CV     1
 ASSI {  923}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 106  and name HD1 ))
      6.000     4.700     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.32145E-04 ppm1      8.668 ppm2      1.253 CV     1
 OR {  923}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 106  and name HD2 ))
 ASSI {  926}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      5.900     4.400     0.100 peak   926 spectrum    1 weight  0.10000E+01 volume  0.41260E-04 ppm1      8.669 ppm2      2.197 CV     1
 ASSI {  927}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      5.700     4.000     0.300 peak   927 spectrum    1 weight  0.10000E+01 volume  0.65879E-04 ppm1      8.669 ppm2      4.616 CV     1
 ASSI {  930}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      5.200     3.400     0.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.68287E-04 ppm1      8.668 ppm2      7.092 CV     1
 ASSI {  935}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HD1 ))
      4.900     3.000     1.100 peak   935 spectrum    1 weight  0.10000E+01 volume  0.27164E-03 ppm1      8.577 ppm2      4.073 CV     1
 ASSI {  945}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.900     0.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.14833E-04 ppm1      8.569 ppm2      8.045 CV     1
 ASSI {  946}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      4.500     2.500     1.500 peak   946 spectrum    1 weight  0.10000E+01 volume  0.12856E-03 ppm1      8.520 ppm2      0.568 CV     1
 ASSI {  951}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HD2 ))
      6.000     4.800     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.59969E-04 ppm1      8.520 ppm2      3.984 CV     1
 OR {  951}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HD1 ))
 ASSI {  983}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak   983 spectrum    1 weight  0.11000E+01 volume  0.96016E-03 ppm1      8.345 ppm2     -0.302 CV     1
 ASSI {  984}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      5.500     3.800     0.500 peak   984 spectrum    1 weight  0.11000E+01 volume  0.53580E-04 ppm1      8.345 ppm2      0.875 CV     1
 ASSI {  987}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak   987 spectrum    1 weight  0.11000E+01 volume  0.30250E-03 ppm1      8.345 ppm2      1.762 CV     1
 ASSI {  988}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     6.000     0.000 peak   988 spectrum    1 weight  0.11000E+01 volume  0.75127E-06 ppm1      8.345 ppm2      2.243 CV     1
 ASSI {  991}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 119  and name HZ3 ))
      5.700     4.000     0.300 peak   991 spectrum    1 weight  0.10000E+01 volume  0.42065E-04 ppm1      8.345 ppm2      6.788 CV     1
 ASSI {  994}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      4.400     2.400     1.600 peak   994 spectrum    1 weight  0.11000E+01 volume  0.15103E-03 ppm1      8.323 ppm2     -0.831 CV     1
 ASSI {  996}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.700     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.27604E-04 ppm1      8.323 ppm2      3.842 CV     1
 ASSI { 1011}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.38777E-03 ppm1      8.286 ppm2      7.900 CV     1
 ASSI { 1014}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  1014 spectrum    1 weight  0.11000E+01 volume  0.27217E-02 ppm1      8.269 ppm2      1.637 CV     1
 ASSI { 1017}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      4.600     2.700     1.400 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.13897E-03 ppm1      8.269 ppm2      0.756 CV     1
 ASSI { 1023}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HD22))
      5.300     3.500     0.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.20683E-04 ppm1      8.219 ppm2      7.411 CV     1
 ASSI { 1025}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     6.000     0.000 peak  1025 spectrum    1 weight  0.11000E+01 volume  0.57443E-05 ppm1      8.216 ppm2      3.124 CV     1
 ASSI { 1027}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     6.000     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.13370E-04 ppm1      8.216 ppm2      1.067 CV     1
 OR { 1027}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
 OR { 1027}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1031}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      5.100     3.300     0.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.67057E-04 ppm1      8.216 ppm2      7.952 CV     1
 ASSI { 1038}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
      6.000     5.100     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.28382E-04 ppm1      8.040 ppm2      3.074 CV     1
 OR { 1038}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
 ASSI { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.800     2.900     1.200 peak  1051 spectrum    1 weight  0.11000E+01 volume  0.86367E-04 ppm1      7.971 ppm2      1.837 CV     1
 ASSI { 1052}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.700     2.800     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.82111E-04 ppm1      7.971 ppm2      2.673 CV     1
 ASSI { 1059}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 79   and name HE% )
      5.900     4.400     0.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.51864E-04 ppm1      7.962 ppm2      7.458 CV     1
 ASSI { 1078}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.400     2.400     1.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.22992E-03 ppm1      7.892 ppm2      8.568 CV     1
 ASSI { 1082}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      6.000     6.000     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.97130E-05 ppm1      7.802 ppm2      3.822 CV     1
 ASSI { 1090}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.900     1.900     1.900 peak  1090 spectrum    1 weight  0.11000E+01 volume  0.48473E-03 ppm1      7.725 ppm2      1.071 CV     1
 ASSI { 1105}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 94   and name HE% )
      3.900     1.900     1.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.43505E-03 ppm1      7.507 ppm2      7.066 CV     1
 ASSI { 1113}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      6.000     6.000     0.000 peak  1113 spectrum    1 weight  0.11000E+01 volume  0.15398E-04 ppm1      7.571 ppm2      0.672 CV     1
 ASSI { 1115}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.700     4.000     0.300 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.11945E-03 ppm1      7.571 ppm2      1.502 CV     1
 ASSI { 1118}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.300     2.400     1.700 peak  1118 spectrum    1 weight  0.11000E+01 volume  0.64543E-04 ppm1      7.571 ppm2      5.543 CV     1
 ASSI { 1127}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      4.300     2.300     1.700 peak  1127 spectrum    1 weight  0.11000E+01 volume  0.36533E-03 ppm1      7.347 ppm2      0.783 CV     1
 ASSI { 1137}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak  1137 spectrum    1 weight  0.11000E+01 volume  0.28231E-03 ppm1      7.347 ppm2      6.268 CV     1
 ASSI { 1139}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      5.300     3.500     0.700 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.67734E-04 ppm1      6.987 ppm2      1.665 CV     1
 ASSI { 1141}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      6.000     6.000     0.000 peak  1141 spectrum    1 weight  0.11000E+01 volume  0.18682E-05 ppm1      6.987 ppm2     -0.831 CV     1
 ASSI { 1149}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HD1 ))
      6.000     4.900     0.000 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.26135E-04 ppm1      6.547 ppm2      1.485 CV     1
 OR { 1149}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
 ASSI { 1154}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     6.000     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.92882E-05 ppm1      6.547 ppm2      3.295 CV     1
 ASSI { 1164}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 62   and name HD% )
      3.300     3.300     2.700 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.20086E-02 ppm1      6.292 ppm2      5.530 CV     1
 ASSI { 1171}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 32   and name HB1 ))
      4.300     4.300     1.700 peak  1171 spectrum    1 weight  0.11000E+01 volume  0.99307E-04 ppm1      7.537 ppm2      1.505 CV     1
 ASSI { 1179}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 36   and name HB1 ))
      3.100     3.100     2.900 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.46267E-03 ppm1      6.931 ppm2      2.870 CV     1
 ASSI { 1184}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 117  and name HB2 ))
      3.200     1.300     1.300 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.94411E-03 ppm1      7.123 ppm2      3.530 CV     1
 ASSI { 1192}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.26409E-03 ppm1      6.942 ppm2      4.081 CV     1
 ASSI { 1193}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 85   and name HB1 ))
      4.800     2.900     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.33814E-04 ppm1      7.549 ppm2      4.081 CV     1
 ASSI { 1204}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      5.800     4.200     0.200 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.78360E-04 ppm1      8.369 ppm2      1.292 CV     1
 ASSI { 1205}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.57881E-04 ppm1      8.369 ppm2      1.069 CV     1
 OR { 1205}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 OR { 1205}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1207}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 119  and name HZ3 ))
      5.800     4.100     0.200 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.50854E-04 ppm1      8.369 ppm2      6.791 CV     1
 ASSI { 1212}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      4.200     2.200     1.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.82344E-04 ppm1      7.398 ppm2      1.383 CV     1
 ASSI { 1218}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     6.000     0.000 peak  1218 spectrum    1 weight  0.11000E+01 volume  0.15391E-04 ppm1      8.512 ppm2      3.121 CV     1
 ASSI { 1220}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 76   and name HD% )
      5.400     3.600     0.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.63971E-04 ppm1      8.512 ppm2      6.116 CV     1
 ASSI { 1228}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     5.400     0.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.20584E-04 ppm1      8.488 ppm2      1.053 CV     1
 OR { 1228}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI { 1230}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      6.000     6.000     0.000 peak  1230 spectrum    1 weight  0.11000E+01 volume  0.98064E-05 ppm1      8.489 ppm2     -0.831 CV     1
 ASSI { 1236}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HE1 ))
      4.300     2.300     1.700 peak  1236 spectrum    1 weight  0.11000E+01 volume  0.72355E-04 ppm1      9.608 ppm2      2.966 CV     1
 OR { 1236}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HE2 ))
 ASSI { 1238}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     5.100     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.32757E-04 ppm1      8.512 ppm2      2.590 CV     1
 OR { 1238}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
 ASSI { 1248}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.900     3.000     1.100 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.37139E-04 ppm1      9.672 ppm2      0.303 CV     1
 ASSI { 1250}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.100     2.100     1.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.63905E-03 ppm1      9.608 ppm2      1.377 CV     1
 ASSI { 1257}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 33   and name HD2%)
      4.400     2.400     1.600 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.13199E-03 ppm1      6.780 ppm2     -0.302 CV     1
 ASSI { 1264}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      6.000     6.000     0.000 peak  1264 spectrum    1 weight  0.11000E+01 volume  0.79851E-05 ppm1      7.398 ppm2      3.294 CV     1
 ASSI { 1265}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      5.500     3.800     0.500 peak  1265 spectrum    1 weight  0.11000E+01 volume  0.33987E-04 ppm1      9.409 ppm2      3.294 CV     1
 ASSI { 1267}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.900     3.000     1.100 peak  1267 spectrum    1 weight  0.11000E+01 volume  0.45416E-04 ppm1      9.382 ppm2      2.634 CV     1
 ASSI { 1269}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      5.200     3.400     0.800 peak  1269 spectrum    1 weight  0.11000E+01 volume  0.36986E-04 ppm1      8.848 ppm2      5.293 CV     1
 ASSI { 1271}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.400     1.500     1.500 peak  1271 spectrum    1 weight  0.11000E+01 volume  0.42017E-03 ppm1      9.223 ppm2      4.334 CV     1
 ASSI { 1272}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      3.700     1.800     1.800 peak  1272 spectrum    1 weight  0.11000E+01 volume  0.27466E-03 ppm1      9.261 ppm2      2.194 CV     1
 ASSI { 1274}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      2.800     1.000     1.000 peak  1274 spectrum    1 weight  0.11000E+01 volume  0.12755E-02 ppm1      9.289 ppm2      3.056 CV     1
 ASSI { 1275}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     5.900     0.000 peak  1275 spectrum    1 weight  0.11000E+01 volume  0.26368E-04 ppm1      9.179 ppm2      3.056 CV     1
 ASSI { 1276}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
      6.000     4.600     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.65893E-04 ppm1      9.289 ppm2      1.805 CV     1
 ASSI { 1278}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      5.800     4.200     0.200 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.98441E-04 ppm1      9.213 ppm2      5.292 CV     1
 ASSI { 1279}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.700     0.900     0.900 peak  1279 spectrum    1 weight  0.11000E+01 volume  0.20693E-02 ppm1      9.145 ppm2      5.168 CV     1
 ASSI { 1281}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      5.800     4.100     0.200 peak  1281 spectrum    1 weight  0.11000E+01 volume  0.23256E-04 ppm1      9.204 ppm2      5.042 CV     1
 ASSI { 1282}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.500     3.500     2.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.25604E-03 ppm1      9.179 ppm2      4.330 CV     1
 ASSI { 1286}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      4.900     2.900     1.100 peak  1286 spectrum    1 weight  0.11000E+01 volume  0.88039E-04 ppm1      8.955 ppm2      1.423 CV     1
 ASSI { 1287}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      5.100     3.300     0.900 peak  1287 spectrum    1 weight  0.11000E+01 volume  0.99285E-04 ppm1      9.145 ppm2      1.423 CV     1
 ASSI { 1288}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      4.700     2.700     1.300 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.14633E-03 ppm1      9.145 ppm2      1.824 CV     1
 ASSI { 1292}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      5.200     3.400     0.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.18777E-03 ppm1      9.117 ppm2      3.114 CV     1
 ASSI { 1296}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      6.000     6.000     0.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.64756E-05 ppm1      9.021 ppm2      1.074 CV     1
 ASSI { 1297}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.200     1.300     1.300 peak  1297 spectrum    1 weight  0.11000E+01 volume  0.75701E-03 ppm1      8.345 ppm2      0.700 CV     1
 ASSI { 1298}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  1298 spectrum    1 weight  0.11000E+01 volume  0.69532E-03 ppm1      9.021 ppm2      4.522 CV     1
 ASSI { 1303}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      4.800     2.900     1.200 peak  1303 spectrum    1 weight  0.11000E+01 volume  0.66278E-04 ppm1      8.955 ppm2      4.505 CV     1
 ASSI { 1304}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      4.500     2.600     1.500 peak  1304 spectrum    1 weight  0.11000E+01 volume  0.13076E-03 ppm1      8.955 ppm2      4.038 CV     1
 ASSI { 1306}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      4.300     2.300     1.700 peak  1306 spectrum    1 weight  0.11000E+01 volume  0.12847E-03 ppm1      6.547 ppm2      4.048 CV     1
 ASSI { 1311}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.300     1.300     1.300 peak  1311 spectrum    1 weight  0.11000E+01 volume  0.72196E-03 ppm1      8.669 ppm2      4.967 CV     1
 ASSI { 1315}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      5.800     4.200     0.200 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.38315E-04 ppm1      8.699 ppm2      0.752 CV     1
 ASSI { 1318}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      5.000     3.100     1.000 peak  1318 spectrum    1 weight  0.11000E+01 volume  0.31660E-03 ppm1      8.699 ppm2      1.803 CV     1
 ASSI { 1320}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      5.800     4.200     0.200 peak  1320 spectrum    1 weight  0.11000E+01 volume  0.59570E-04 ppm1      8.669 ppm2      2.265 CV     1
 OR { 1320}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 1323}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      5.000     3.200     1.000 peak  1323 spectrum    1 weight  0.11000E+01 volume  0.75708E-04 ppm1      7.585 ppm2      2.358 CV     1
 ASSI { 1325}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HA  ))
      6.000     6.000     0.000 peak  1325 spectrum    1 weight  0.11000E+01 volume  0.51060E-05 ppm1      8.083 ppm2      4.949 CV     1
 ASSI { 1329}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HD2 ))
      3.700     1.700     1.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.65026E-03 ppm1      8.963 ppm2      1.272 CV     1
 ASSI { 1330}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      5.100     3.200     0.900 peak  1330 spectrum    1 weight  0.11000E+01 volume  0.42723E-04 ppm1      8.489 ppm2      3.888 CV     1
 ASSI { 1344}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     5.900     0.000 peak  1344 spectrum    1 weight  0.11000E+01 volume  0.25916E-04 ppm1      7.333 ppm2      2.737 CV     1
 ASSI { 1345}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     6.000     0.000 peak  1345 spectrum    1 weight  0.11000E+01 volume  0.83904E-05 ppm1      8.321 ppm2      2.701 CV     1
 ASSI { 1346}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      4.900     3.000     1.100 peak  1346 spectrum    1 weight  0.11000E+01 volume  0.15984E-03 ppm1      8.321 ppm2      2.737 CV     1
 ASSI { 1350}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      5.900     4.400     0.100 peak  1350 spectrum    1 weight  0.11000E+01 volume  0.27199E-04 ppm1      8.318 ppm2      3.795 CV     1
 ASSI { 1353}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 83   and name HG2%)
      2.800     2.800     3.200 peak  1353 spectrum    1 weight  0.11000E+01 volume  0.22984E-02 ppm1      7.454 ppm2     -0.520 CV     1
 ASSI { 1354}
   (  segid "    " and resid 79   and name HD% )
   (  segid "    " and resid 83   and name HG2%)
      3.000     3.000     3.000 peak  1354 spectrum    1 weight  0.11000E+01 volume  0.18787E-02 ppm1      6.996 ppm2     -0.521 CV     1
 ASSI { 1355}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 83   and name HG2%)
      2.800     2.800     3.200 peak  1355 spectrum    1 weight  0.11000E+01 volume  0.41815E-02 ppm1      6.942 ppm2     -0.520 CV     1
 ASSI { 1356}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 83   and name HG2%)
      3.300     1.300     1.300 peak  1356 spectrum    1 weight  0.11000E+01 volume  0.13140E-02 ppm1      6.780 ppm2     -0.520 CV     1
 ASSI { 1357}
   (  segid "    " and resid 118  and name HE% )
   (  segid "    " and resid 83   and name HG2%)
      2.500     0.800     0.800 peak  1357 spectrum    1 weight  0.11000E+01 volume  0.30898E-02 ppm1      6.503 ppm2     -0.519 CV     1
 ASSI { 1366}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.500     2.600     1.500 peak  1366 spectrum    1 weight  0.11000E+01 volume  0.24035E-03 ppm1      7.971 ppm2      1.896 CV     1
 ASSI { 1367}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.800     4.100     0.200 peak  1367 spectrum    1 weight  0.11000E+01 volume  0.86645E-04 ppm1      8.049 ppm2      1.896 CV     1
 ASSI { 1368}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      5.700     4.000     0.300 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.38435E-04 ppm1      8.049 ppm2      2.259 CV     1
 OR { 1368}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1369}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      6.000     5.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.28063E-04 ppm1      8.049 ppm2      1.750 CV     1
 OR { 1369}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1378}
   (( segid "    " and resid 69   and name H3  ))
   (  segid "    " and resid 67   and name HB% )
      3.100     1.200     1.200 peak  1378 spectrum    1 weight  0.11000E+01 volume  0.19223E-02 ppm1      7.728 ppm2     -0.831 CV     1
 ASSI { 1379}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 67   and name HB% )
      3.400     3.400     2.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.28503E-03 ppm1      7.676 ppm2     -0.831 CV     1
 ASSI { 1383}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      5.500     3.700     0.500 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.47084E-04 ppm1      7.899 ppm2      3.372 CV     1
 ASSI { 1385}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.800     2.900     1.200 peak  1385 spectrum    1 weight  0.11000E+01 volume  0.78857E-04 ppm1      7.588 ppm2      4.075 CV     1
 ASSI { 1389}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      6.000     4.600     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.61525E-04 ppm1      7.778 ppm2      0.834 CV     1
 ASSI { 1391}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      4.900     3.000     1.100 peak  1391 spectrum    1 weight  0.11000E+01 volume  0.78488E-04 ppm1      7.971 ppm2      2.295 CV     1
 ASSI { 1396}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HB1 ))
      4.700     2.800     1.300 peak  1396 spectrum    1 weight  0.11000E+01 volume  0.20345E-03 ppm1      7.124 ppm2      1.528 CV     1
 ASSI { 1397}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.200     1.300     1.300 peak  1397 spectrum    1 weight  0.11000E+01 volume  0.56531E-03 ppm1      8.345 ppm2      1.528 CV     1
 ASSI { 1398}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     3.900     2.100 peak  1398 spectrum    1 weight  0.11000E+01 volume  0.57420E-03 ppm1      6.727 ppm2      1.489 CV     1
 ASSI { 1401}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     6.000     0.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.11488E-04 ppm1      6.547 ppm2      3.121 CV     1
 ASSI { 1402}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  1402 spectrum    1 weight  0.11000E+01 volume  0.34788E-02 ppm1      3.982 ppm2      4.928 CV     1
 OR { 1402}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1403}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.800     0.800 peak  1403 spectrum    1 weight  0.11000E+01 volume  0.43862E-02 ppm1      3.982 ppm2      4.543 CV     1
 OR { 1403}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1404}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak  1404 spectrum    1 weight  0.11000E+01 volume  0.92167E-03 ppm1      2.464 ppm2      4.542 CV     1
 OR { 1404}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1405}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak  1405 spectrum    1 weight  0.11000E+01 volume  0.17453E-02 ppm1      2.253 ppm2      4.542 CV     1
 OR { 1405}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1406}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG1 ))
      2.000     0.500     0.500 peak  1406 spectrum    1 weight  0.11000E+01 volume  0.12915E-01 ppm1      2.464 ppm2      2.259 CV     1
 OR { 1406}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG2 ))
 OR { 1406}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG1 ))
 OR { 1406}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1408}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.11000E+01 volume  0.19458E-02 ppm1      3.289 ppm2      4.482 CV     1
 ASSI { 1409}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  1409 spectrum    1 weight  0.11000E+01 volume  0.11747E-02 ppm1      2.715 ppm2      4.482 CV     1
 ASSI { 1410}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HB2 ))
      3.200     1.300     1.300 peak  1410 spectrum    1 weight  0.11000E+01 volume  0.17013E-02 ppm1      3.289 ppm2      1.103 CV     1
 OR { 1410}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 1411}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HG2 ))
      3.100     1.200     1.200 peak  1411 spectrum    1 weight  0.11000E+01 volume  0.90253E-03 ppm1      3.289 ppm2      1.042 CV     1
 OR { 1411}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 1412}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG1 ))
      3.500     1.500     1.500 peak  1412 spectrum    1 weight  0.11000E+01 volume  0.41101E-03 ppm1      2.715 ppm2      1.042 CV     1
 OR { 1412}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1413}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HB1 ))
      4.400     2.500     1.600 peak  1413 spectrum    1 weight  0.11000E+01 volume  0.32609E-03 ppm1      2.715 ppm2      1.102 CV     1
 OR { 1413}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 1414}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HD2 ))
      1.800     0.400     0.400 peak  1414 spectrum    1 weight  0.11000E+01 volume  0.90720E-02 ppm1      3.290 ppm2      2.723 CV     1
 ASSI { 1415}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.400     0.700     0.700 peak  1415 spectrum    1 weight  0.11000E+01 volume  0.60301E-02 ppm1      4.391 ppm2      4.008 CV     1
 ASSI { 1416}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.200     0.600     0.600 peak  1416 spectrum    1 weight  0.11000E+01 volume  0.91459E-02 ppm1      4.391 ppm2      4.085 CV     1
 ASSI { 1417}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HB2 ))
      1.300     0.200     0.900 peak  1417 spectrum    1 weight  0.11000E+01 volume  0.81177E-01 ppm1      4.076 ppm2      4.008 CV     1
 ASSI { 1420}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HD1 ))
      5.300     3.500     0.700 peak  1420 spectrum    1 weight  0.11000E+01 volume  0.10698E-03 ppm1      8.366 ppm2      3.984 CV     1
 OR { 1420}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HD2 ))
 ASSI { 1421}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak  1421 spectrum    1 weight  0.11000E+01 volume  0.44785E-02 ppm1      4.050 ppm2      5.172 CV     1
 ASSI { 1422}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak  1422 spectrum    1 weight  0.11000E+01 volume  0.32347E-02 ppm1      3.903 ppm2      5.172 CV     1
 ASSI { 1423}
   (( segid "    " and resid 73   and name HD1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.100     0.500     0.500 peak  1423 spectrum    1 weight  0.11000E+01 volume  0.91865E-02 ppm1      3.992 ppm2      5.172 CV     1
 OR { 1423}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1424}
   (( segid "    " and resid 73   and name HD1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.300     0.700     0.700 peak  1424 spectrum    1 weight  0.11000E+01 volume  0.51486E-02 ppm1      3.992 ppm2      2.206 CV     1
 OR { 1424}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HG2 ))
 OR { 1424}
   (( segid "    " and resid 73   and name HD1 ))
   (( segid "    " and resid 73   and name HG2 ))
 OR { 1424}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI { 1425}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HB2 ))
      3.600     3.600     2.400 peak  1425 spectrum    1 weight  0.11000E+01 volume  0.10991E-02 ppm1      3.992 ppm2      2.356 CV     1
 OR { 1425}
   (( segid "    " and resid 73   and name HD1 ))
   (( segid "    " and resid 73   and name HB1 ))
 OR { 1425}
   (( segid "    " and resid 73   and name HD1 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR { 1425}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1426}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.000     0.500     0.500 peak  1426 spectrum    1 weight  0.11000E+01 volume  0.15409E-01 ppm1      2.348 ppm2      2.205 CV     1
 OR { 1426}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG2 ))
 OR { 1426}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG2 ))
 OR { 1426}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI { 1427}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HG2 ))
      1.900     0.400     0.400 peak  1427 spectrum    1 weight  0.11000E+01 volume  0.19132E-01 ppm1      3.993 ppm2      2.032 CV     1
 OR { 1427}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HG1 ))
 ASSI { 1429}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HB2 ))
      2.600     0.900     0.900 peak  1429 spectrum    1 weight  0.11000E+01 volume  0.55008E-02 ppm1      3.993 ppm2      2.263 CV     1
 OR { 1429}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HB1 ))
 ASSI { 1430}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG1 ))
      2.000     0.500     0.500 peak  1430 spectrum    1 weight  0.11000E+01 volume  0.11077E-01 ppm1      4.070 ppm2      2.032 CV     1
 OR { 1430}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI { 1431}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.000     0.500     0.500 peak  1431 spectrum    1 weight  0.11000E+01 volume  0.10662E-01 ppm1      4.070 ppm2      4.327 CV     1
 ASSI { 1432}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 101  and name HA  ))
      2.600     0.800     0.800 peak  1432 spectrum    1 weight  0.11000E+01 volume  0.43207E-02 ppm1      3.992 ppm2      4.328 CV     1
 ASSI { 1433}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.400     3.400     2.600 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.26304E-03 ppm1      8.814 ppm2      4.557 CV     1
 ASSI { 1434}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HB1 ))
      2.600     0.800     0.800 peak  1434 spectrum    1 weight  0.11000E+01 volume  0.31353E-02 ppm1      7.244 ppm2      3.294 CV     1
 ASSI { 1437}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak  1437 spectrum    1 weight  0.11000E+01 volume  0.34865E-02 ppm1      7.244 ppm2      3.227 CV     1
 ASSI { 1438}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 42   and name HE% )
      1.800     0.400     0.400 peak  1438 spectrum    1 weight  0.11000E+01 volume  0.23857E-01 ppm1      6.828 ppm2      6.593 CV     1
 ASSI { 1439}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 42   and name HB1 ))
      2.400     0.700     0.700 peak  1439 spectrum    1 weight  0.11000E+01 volume  0.35294E-02 ppm1      6.828 ppm2      3.050 CV     1
 ASSI { 1440}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 42   and name HB2 ))
      2.400     0.700     0.700 peak  1440 spectrum    1 weight  0.11000E+01 volume  0.50044E-02 ppm1      6.828 ppm2      2.471 CV     1
 ASSI { 1441}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 118  and name HB2 ))
      2.200     0.600     0.600 peak  1441 spectrum    1 weight  0.11000E+01 volume  0.61779E-02 ppm1      6.780 ppm2      2.683 CV     1
 ASSI { 1442}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 118  and name HB1 ))
      2.200     0.600     0.600 peak  1442 spectrum    1 weight  0.11000E+01 volume  0.61104E-02 ppm1      6.780 ppm2      2.823 CV     1
 ASSI { 1443}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 118  and name HB1 ))
      6.000     6.000     0.000 peak  1443 spectrum    1 weight  0.11000E+01 volume  0.18942E-04 ppm1      6.503 ppm2      2.823 CV     1
 ASSI { 1444}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 118  and name HB2 ))
      4.400     2.400     1.600 peak  1444 spectrum    1 weight  0.11000E+01 volume  0.42453E-03 ppm1      6.503 ppm2      2.683 CV     1
 ASSI { 1445}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 118  and name HE% )
      1.700     0.400     0.500 peak  1445 spectrum    1 weight  0.11000E+01 volume  0.21263E-01 ppm1      6.780 ppm2      6.509 CV     1
 ASSI { 1446}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 62   and name HB2 ))
      4.200     2.200     1.800 peak  1446 spectrum    1 weight  0.11000E+01 volume  0.54840E-03 ppm1      6.354 ppm2      1.804 CV     1
 ASSI { 1447}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 62   and name HB1 ))
      4.900     3.000     1.100 peak  1447 spectrum    1 weight  0.11000E+01 volume  0.25355E-03 ppm1      6.354 ppm2      2.635 CV     1
 ASSI { 1448}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HB1 ))
      2.500     2.500     3.500 peak  1448 spectrum    1 weight  0.11000E+01 volume  0.26506E-02 ppm1      5.524 ppm2      2.635 CV     1
 ASSI { 1449}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      2.100     2.100     3.900 peak  1449 spectrum    1 weight  0.11000E+01 volume  0.85907E-02 ppm1      5.524 ppm2      1.805 CV     1
 ASSI { 1450}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 62   and name HD% )
      1.900     1.900     4.100 peak  1450 spectrum    1 weight  0.11000E+01 volume  0.15525E-01 ppm1      6.354 ppm2      5.530 CV     1
 ASSI { 1451}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 62   and name HZ  ))
      1.800     0.400     0.400 peak  1451 spectrum    1 weight  0.11000E+01 volume  0.30716E-01 ppm1      6.354 ppm2      6.297 CV     1
 ASSI { 1452}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HB2 ))
      2.400     0.700     0.700 peak  1452 spectrum    1 weight  0.11000E+01 volume  0.54141E-02 ppm1      7.092 ppm2      3.268 CV     1
 ASSI { 1453}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HB1 ))
      2.400     0.700     0.700 peak  1453 spectrum    1 weight  0.11000E+01 volume  0.43656E-02 ppm1      7.092 ppm2      3.522 CV     1
 ASSI { 1454}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 92   and name HE% )
      1.800     0.400     0.400 peak  1454 spectrum    1 weight  0.11000E+01 volume  0.25481E-01 ppm1      7.091 ppm2      6.692 CV     1
 ASSI { 1455}
   (  segid "    " and resid 121  and name HD% )
   (  segid "    " and resid 121  and name HE% )
      1.600     0.300     0.600 peak  1455 spectrum    1 weight  0.11000E+01 volume  0.36193E-01 ppm1      7.218 ppm2      6.841 CV     1
 ASSI { 1456}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HB2 ))
      2.500     0.800     0.800 peak  1456 spectrum    1 weight  0.11000E+01 volume  0.34970E-02 ppm1      7.218 ppm2      3.056 CV     1
 ASSI { 1457}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HB1 ))
      2.300     0.700     0.700 peak  1457 spectrum    1 weight  0.11000E+01 volume  0.48882E-02 ppm1      7.218 ppm2      3.118 CV     1
 ASSI { 1458}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HZ  ))
      3.600     1.600     1.600 peak  1458 spectrum    1 weight  0.11000E+01 volume  0.11957E-02 ppm1      7.218 ppm2      6.448 CV     1
 ASSI { 1459}
   (  segid "    " and resid 121  and name HE% )
   (( segid "    " and resid 121  and name HZ  ))
      2.000     0.500     0.500 peak  1459 spectrum    1 weight  0.11000E+01 volume  0.11848E-01 ppm1      6.833 ppm2      6.448 CV     1
 ASSI { 1460}
   (  segid "    " and resid 94   and name HD% )
   (( segid "    " and resid 94   and name HB1 ))
      2.800     1.000     1.000 peak  1460 spectrum    1 weight  0.11000E+01 volume  0.17181E-02 ppm1      7.629 ppm2      3.000 CV     1
 ASSI { 1461}
   (  segid "    " and resid 94   and name HD% )
   (( segid "    " and resid 94   and name HB2 ))
      2.900     1.000     1.000 peak  1461 spectrum    1 weight  0.11000E+01 volume  0.18457E-02 ppm1      7.629 ppm2      2.564 CV     1
 ASSI { 1462}
   (  segid "    " and resid 94   and name HE% )
   (( segid "    " and resid 94   and name HB2 ))
      4.200     2.200     1.800 peak  1462 spectrum    1 weight  0.11000E+01 volume  0.60016E-03 ppm1      7.065 ppm2      2.563 CV     1
 ASSI { 1463}
   (  segid "    " and resid 94   and name HE% )
   (( segid "    " and resid 94   and name HB1 ))
      3.800     1.800     1.800 peak  1463 spectrum    1 weight  0.11000E+01 volume  0.12370E-02 ppm1      7.065 ppm2      3.000 CV     1
 ASSI { 1464}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 94   and name HB1 ))
      3.400     1.400     1.400 peak  1464 spectrum    1 weight  0.11000E+01 volume  0.20475E-02 ppm1      7.092 ppm2      3.000 CV     1
 ASSI { 1465}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 94   and name HB2 ))
      3.100     1.200     1.200 peak  1465 spectrum    1 weight  0.11000E+01 volume  0.85975E-03 ppm1      7.092 ppm2      2.564 CV     1
 ASSI { 1466}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 76   and name HB2 ))
      2.600     0.800     0.800 peak  1466 spectrum    1 weight  0.11000E+01 volume  0.32529E-02 ppm1      6.110 ppm2      3.073 CV     1
 ASSI { 1467}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.800     0.800 peak  1467 spectrum    1 weight  0.11000E+01 volume  0.22727E-02 ppm1      6.109 ppm2      3.404 CV     1
 ASSI { 1468}
   (  segid "    " and resid 76   and name HE% )
   (  segid "    " and resid 76   and name HD% )
      1.800     0.400     0.400 peak  1468 spectrum    1 weight  0.11000E+01 volume  0.23154E-01 ppm1      6.471 ppm2      6.118 CV     1
 ASSI { 1469}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 119  and name HB1 ))
      3.400     1.400     1.400 peak  1469 spectrum    1 weight  0.11000E+01 volume  0.17688E-02 ppm1      6.771 ppm2      2.523 CV     1
 ASSI { 1470}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 119  and name HB2 ))
      3.000     1.100     1.100 peak  1470 spectrum    1 weight  0.11000E+01 volume  0.73442E-03 ppm1      6.771 ppm2      2.203 CV     1
 ASSI { 1471}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB1 ))
      3.100     1.200     1.200 peak  1471 spectrum    1 weight  0.11000E+01 volume  0.84898E-03 ppm1      7.058 ppm2      2.389 CV     1
 OR { 1471}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1472}
   (  segid "    " and resid 94   and name HD% )
   (  segid "    " and resid 94   and name HE% )
      2.100     0.600     0.600 peak  1472 spectrum    1 weight  0.11000E+01 volume  0.95353E-02 ppm1      7.631 ppm2      7.073 CV     1
 ASSI { 1473}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HB2 ))
      2.300     0.600     0.600 peak  1473 spectrum    1 weight  0.11000E+01 volume  0.54617E-02 ppm1      6.997 ppm2      3.123 CV     1
 ASSI { 1474}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HB1 ))
      2.200     0.600     0.600 peak  1474 spectrum    1 weight  0.11000E+01 volume  0.69141E-02 ppm1      6.997 ppm2      3.301 CV     1
 ASSI { 1475}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 79   and name HZ  ))
      1.900     0.400     0.400 peak  1475 spectrum    1 weight  0.11000E+01 volume  0.17212E-01 ppm1      7.452 ppm2      6.949 CV     1
 ASSI { 1476}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 79   and name HD% )
      2.300     0.700     0.700 peak  1476 spectrum    1 weight  0.11000E+01 volume  0.48253E-02 ppm1      7.452 ppm2      7.004 CV     1
 ASSI { 1477}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HZ  ))
      1.600     1.600     4.400 peak  1477 spectrum    1 weight  0.11000E+01 volume  0.15117E+00 ppm1      6.996 ppm2      6.948 CV     1
 ASSI { 1478}
   (( segid "    " and resid 69   and name H2  ))
   (( segid "    " and resid 69   and name HD2 ))
      2.400     0.700     0.700 peak  1478 spectrum    1 weight  0.11000E+01 volume  0.23315E-02 ppm1      5.973 ppm2      5.331 CV     1
 ASSI { 1479}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 69   and name HD2 ))
      3.000     1.200     1.200 peak  1479 spectrum    1 weight  0.11000E+01 volume  0.95285E-03 ppm1      6.243 ppm2      5.331 CV     1
 ASSI { 1480}
   (( segid "    " and resid 69   and name HD1 ))
   (( segid "    " and resid 69   and name HD2 ))
      3.600     1.600     1.600 peak  1480 spectrum    1 weight  0.11000E+01 volume  0.50106E-03 ppm1      6.986 ppm2      5.331 CV     1
 ASSI { 1481}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HD2 ))
      4.800     2.800     1.200 peak  1481 spectrum    1 weight  0.11000E+01 volume  0.12484E-03 ppm1      7.728 ppm2      5.331 CV     1
 ASSI { 1482}
   (( segid "    " and resid 69   and name HD1 ))
   (( segid "    " and resid 69   and name H2  ))
      3.900     1.900     1.900 peak  1482 spectrum    1 weight  0.11000E+01 volume  0.55157E-03 ppm1      6.986 ppm2      5.974 CV     1
 ASSI { 1483}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name H2  ))
      3.500     1.500     1.500 peak  1483 spectrum    1 weight  0.11000E+01 volume  0.40546E-03 ppm1      7.727 ppm2      5.974 CV     1
 ASSI { 1484}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 69   and name H2  ))
      4.800     2.900     1.200 peak  1484 spectrum    1 weight  0.11000E+01 volume  0.59902E-03 ppm1      6.243 ppm2      5.974 CV     1
 ASSI { 1485}
   (( segid "    " and resid 69   and name HD1 ))
   (( segid "    " and resid 69   and name HE1 ))
      3.000     1.100     1.100 peak  1485 spectrum    1 weight  0.11000E+01 volume  0.14961E-02 ppm1      6.986 ppm2      6.251 CV     1
 ASSI { 1486}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HE1 ))
      4.900     3.000     1.100 peak  1486 spectrum    1 weight  0.11000E+01 volume  0.29362E-03 ppm1      7.728 ppm2      6.251 CV     1
 ASSI { 1487}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HD1 ))
      3.500     1.600     1.600 peak  1487 spectrum    1 weight  0.11000E+01 volume  0.43745E-03 ppm1      7.729 ppm2      6.992 CV     1
 ASSI { 1488}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 119  and name HZ3 ))
      3.900     1.900     1.900 peak  1488 spectrum    1 weight  0.11000E+01 volume  0.96362E-03 ppm1      7.334 ppm2      6.793 CV     1
 ASSI { 1489}
   (( segid "    " and resid 119  and name HH2 ))
   (( segid "    " and resid 119  and name HZ3 ))
      2.000     0.500     0.500 peak  1489 spectrum    1 weight  0.11000E+01 volume  0.16919E-01 ppm1      7.013 ppm2      6.793 CV     1
 ASSI { 1491}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 119  and name HH2 ))
      2.100     0.600     0.600 peak  1491 spectrum    1 weight  0.11000E+01 volume  0.11746E-01 ppm1      7.334 ppm2      7.021 CV     1
 ASSI { 1492}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.38911E-03 ppm1      6.354 ppm2      3.367 CV     1
 ASSI { 1493}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 98   and name HB2 ))
      2.500     0.800     0.800 peak  1493 spectrum    1 weight  0.11000E+01 volume  0.52831E-02 ppm1      7.219 ppm2      2.717 CV     1
 ASSI { 1494}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 98   and name HB2 ))
      3.600     1.600     1.600 peak  1494 spectrum    1 weight  0.11000E+01 volume  0.15947E-02 ppm1      6.842 ppm2      2.717 CV     1
 ASSI { 1505}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 76   and name HE% )
      2.500     2.500     3.500 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.18538E-02 ppm1      6.950 ppm2      6.476 CV     1
 ASSI { 1513}
   (  segid "    " and resid 79   and name HD% )
   (  segid "    " and resid 76   and name HD% )
      2.900     1.100     1.100 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      6.998 ppm2      6.117 CV     1
 ASSI { 1514}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak  1514 spectrum    1 weight  0.11000E+01 volume  0.28778E-02 ppm1      7.217 ppm2      5.991 CV     1
 ASSI { 1515}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 69   and name H2  ))
      2.600     0.800     0.800 peak  1515 spectrum    1 weight  0.11000E+01 volume  0.29200E-02 ppm1      7.257 ppm2      5.973 CV     1
 ASSI { 1516}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak  1516 spectrum    1 weight  0.11000E+01 volume  0.18340E-02 ppm1      7.073 ppm2      5.882 CV     1
 ASSI { 1518}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.800     0.800 peak  1518 spectrum    1 weight  0.11000E+01 volume  0.29960E-02 ppm1      7.070 ppm2      5.626 CV     1
 ASSI { 1519}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 96   and name HA  ))
      2.200     0.600     0.600 peak  1519 spectrum    1 weight  0.11000E+01 volume  0.61880E-02 ppm1      7.257 ppm2      5.554 CV     1
 ASSI { 1520}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak  1520 spectrum    1 weight  0.11000E+01 volume  0.27078E-02 ppm1      7.219 ppm2      5.570 CV     1
 ASSI { 1521}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 98   and name HA  ))
      3.200     1.300     1.300 peak  1521 spectrum    1 weight  0.11000E+01 volume  0.86080E-03 ppm1      7.219 ppm2      4.954 CV     1
 ASSI { 1522}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
      5.100     3.200     0.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.83369E-04 ppm1      7.244 ppm2      5.002 CV     1
 ASSI { 1524}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.46795E-03 ppm1      6.781 ppm2      5.079 CV     1
 ASSI { 1525}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 118  and name HA  ))
      3.500     1.600     1.600 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.77298E-03 ppm1      6.775 ppm2      4.811 CV     1
 ASSI { 1526}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 117  and name HA  ))
      3.000     1.100     1.100 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.15866E-02 ppm1      6.780 ppm2      4.564 CV     1
 ASSI { 1527}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HA  ))
      1.800     0.400     0.400 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.13359E-01 ppm1      6.774 ppm2      4.439 CV     1
 ASSI { 1529}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 35   and name HA2 ))
      4.100     2.100     1.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      6.781 ppm2      3.907 CV     1
 OR { 1529}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1530}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 35   and name HA2 ))
      2.100     0.600     0.600 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.75799E-02 ppm1      6.504 ppm2      3.907 CV     1
 OR { 1530}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1531}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 77   and name HA1 ))
      4.600     2.600     1.400 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.30411E-03 ppm1      6.471 ppm2      4.043 CV     1
 ASSI { 1535}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 67   and name HA  ))
      3.900     1.900     1.900 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.48633E-03 ppm1      7.220 ppm2      4.482 CV     1
 ASSI { 1536}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.76364E-03 ppm1      7.058 ppm2      4.200 CV     1
 ASSI { 1538}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.67359E-03 ppm1      6.827 ppm2      4.529 CV     1
 ASSI { 1539}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
      4.200     2.200     1.800 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.13872E-03 ppm1      6.831 ppm2      4.777 CV     1
 ASSI { 1543}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 117  and name HA  ))
      4.800     2.800     1.200 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.11036E-03 ppm1      6.505 ppm2      4.563 CV     1
 ASSI { 1544}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HA  ))
      4.400     2.400     1.600 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.47897E-03 ppm1      6.505 ppm2      4.438 CV     1
 ASSI { 1545}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.68822E-03 ppm1      6.109 ppm2      4.706 CV     1
 ASSI { 1547}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.15143E-02 ppm1      6.999 ppm2      3.482 CV     1
 ASSI { 1548}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 37   and name HA2 ))
      6.000     6.000     0.000 peak  1548 spectrum    1 weight  0.11000E+01 volume  0.21568E-04 ppm1      6.939 ppm2      3.559 CV     1
 ASSI { 1552}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 79   and name HB1 ))
      3.000     1.100     1.100 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.15991E-02 ppm1      6.108 ppm2      3.305 CV     1
 ASSI { 1553}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 62   and name HA  ))
      5.400     3.600     0.600 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.11336E-03 ppm1      6.356 ppm2      3.589 CV     1
 ASSI { 1559}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.000     2.000     2.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.46826E-03 ppm1      6.946 ppm2      3.118 CV     1
 ASSI { 1560}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HB2 ))
      5.300     3.500     0.700 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.60927E-04 ppm1      7.070 ppm2      2.920 CV     1
 ASSI { 1564}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 75   and name HB2 ))
      4.300     2.400     1.700 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.20829E-03 ppm1      6.687 ppm2      2.383 CV     1
 OR { 1564}
   (  segid "    " and resid 92   and name HE% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1571}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 94   and name HB2 ))
      3.400     3.400     2.600 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.29907E-03 ppm1      7.253 ppm2      2.561 CV     1
 ASSI { 1573}
   (  segid "    " and resid 94   and name HE% )
   (( segid "    " and resid 74   and name HG1 ))
      2.400     0.700     0.700 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.34339E-02 ppm1      7.067 ppm2      2.196 CV     1
 ASSI { 1574}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HG2 ))
      4.000     2.000     2.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.22812E-03 ppm1      7.071 ppm2      2.262 CV     1
 OR { 1574}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 1581}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HB1 ))
      3.400     1.400     1.400 peak  1581 spectrum    1 weight  0.11000E+01 volume  0.55376E-03 ppm1      6.502 ppm2      2.070 CV     1
 OR { 1581}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1582}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 63   and name HB2 ))
      3.700     1.700     1.700 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.17186E-03 ppm1      6.471 ppm2      2.073 CV     1
 OR { 1582}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1583}
   (( segid "    " and resid 121  and name HZ  ))
   (( segid "    " and resid 119  and name HB2 ))
      5.400     3.700     0.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.12528E-03 ppm1      6.450 ppm2      2.209 CV     1
 ASSI { 1584}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HG1 ))
      2.800     0.900     0.900 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      6.504 ppm2      1.933 CV     1
 ASSI { 1588}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HG1 ))
      2.900     1.000     1.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.14894E-02 ppm1      6.780 ppm2      1.933 CV     1
 ASSI { 1591}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HB1 ))
      4.500     2.500     1.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.47193E-03 ppm1      6.778 ppm2      2.070 CV     1
 ASSI { 1592}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 46   and name HG2 ))
      3.200     1.200     1.200 peak  1592 spectrum    1 weight  0.11000E+01 volume  0.11414E-02 ppm1      6.828 ppm2      1.877 CV     1
 OR { 1592}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1594}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 120  and name HB  ))
      2.900     2.900     3.100 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.20470E-02 ppm1      6.779 ppm2      1.810 CV     1
 ASSI { 1596}
   (( segid "    " and resid 69   and name HE1 ))
   (( segid "    " and resid 52   and name HG2 ))
      3.400     3.400     2.600 peak  1596 spectrum    1 weight  0.11000E+01 volume  0.68666E-03 ppm1      6.243 ppm2      1.714 CV     1
 ASSI { 1597}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 80   and name HB2 ))
      4.000     2.000     2.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.55924E-03 ppm1      6.469 ppm2      1.491 CV     1
 OR { 1597}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1598}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.500     1.500 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.42963E-03 ppm1      6.776 ppm2      1.640 CV     1
 ASSI { 1599}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak  1599 spectrum    1 weight  0.11000E+01 volume  0.54944E-02 ppm1      6.829 ppm2      1.542 CV     1
 ASSI { 1602}
   (( segid "    " and resid 119  and name HD1 ))
   (  segid "    " and resid 112  and name HB% )
      2.200     0.600     0.600 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.72425E-02 ppm1      6.772 ppm2      1.482 CV     1
 ASSI { 1603}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 31   and name HB  ))
      5.200     3.400     0.800 peak  1603 spectrum    1 weight  0.11000E+01 volume  0.11391E-03 ppm1      6.831 ppm2      1.355 CV     1
 ASSI { 1604}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 33   and name HG  ))
      3.300     1.400     1.400 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.12285E-02 ppm1      6.999 ppm2      1.165 CV     1
 ASSI { 1605}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 90   and name HG2%)
      2.000     2.000     4.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.66886E-02 ppm1      7.089 ppm2      1.338 CV     1
 ASSI { 1606}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 78   and name HG1 ))
      2.900     1.100     1.100 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.10145E-02 ppm1      7.092 ppm2      1.373 CV     1
 OR { 1606}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 78   and name HG2 ))
 ASSI { 1608}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 27   and name HB% )
      2.900     2.900     3.100 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.17568E-02 ppm1      7.244 ppm2      1.293 CV     1
 ASSI { 1610}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 40   and name HB1 ))
      3.200     3.200     2.800 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.42945E-03 ppm1      7.198 ppm2      1.394 CV     1
 ASSI { 1611}
   (  segid "    " and resid 121  and name HD% )
   (  segid "    " and resid 30   and name HB% )
      2.300     2.300     3.700 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.64740E-02 ppm1      7.218 ppm2      1.543 CV     1
 ASSI { 1612}
   (  segid "    " and resid 121  and name HD% )
   (  segid "    " and resid 122  and name HG2%)
      3.400     3.400     2.600 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.21171E-02 ppm1      7.225 ppm2      1.078 CV     1
 ASSI { 1615}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 80   and name HD2 ))
      2.500     0.800     0.800 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.33204E-02 ppm1      6.998 ppm2      1.068 CV     1
 OR { 1615}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 80   and name HD1 ))
 OR { 1615}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 1617}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 80   and name HD2 ))
      3.900     1.900     1.900 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.30977E-03 ppm1      6.943 ppm2      1.067 CV     1
 OR { 1617}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1620}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 99   and name HG1 ))
      3.500     1.600     1.600 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.80883E-03 ppm1      6.843 ppm2      1.054 CV     1
 OR { 1620}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 99   and name HG2 ))
 ASSI { 1625}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 80   and name HD1 ))
      3.000     1.100     1.100 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.13214E-02 ppm1      6.470 ppm2      1.075 CV     1
 OR { 1625}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 80   and name HG1 ))
 OR { 1625}
   (  segid "    " and resid 76   and name HE% )
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 1628}
   (( segid "    " and resid 69   and name HE1 ))
   (  segid "    " and resid 50   and name HG2%)
      2.500     2.500     3.500 peak  1628 spectrum    1 weight  0.11000E+01 volume  0.17789E-02 ppm1      6.243 ppm2      0.997 CV     1
 ASSI { 1629}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 80   and name HG2 ))
      4.000     2.000     2.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.29251E-03 ppm1      6.106 ppm2      1.071 CV     1
 OR { 1629}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 80   and name HG1 ))
 OR { 1629}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1630}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 33   and name HG  ))
      4.500     2.500     1.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.13616E-03 ppm1      6.941 ppm2      1.169 CV     1
 ASSI { 1635}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.600     2.600     3.400 peak  1635 spectrum    1 weight  0.11000E+01 volume  0.14632E-02 ppm1      6.828 ppm2      0.880 CV     1
 ASSI { 1640}
   (( segid "    " and resid 69   and name HE2 ))
   (  segid "    " and resid 122  and name HG2%)
      5.700     4.000     0.300 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.38268E-04 ppm1      6.247 ppm2      1.079 CV     1
 ASSI { 1643}
   (  segid "    " and resid 79   and name HD% )
   (  segid "    " and resid 33   and name HD1%)
      3.100     1.200     1.200 peak  1643 spectrum    1 weight  0.11000E+01 volume  0.14884E-02 ppm1      6.997 ppm2      0.190 CV     1
 ASSI { 1644}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 33   and name HD1%)
      2.700     2.700     3.300 peak  1644 spectrum    1 weight  0.11000E+01 volume  0.43231E-02 ppm1      6.941 ppm2      0.190 CV     1
 ASSI { 1649}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 31   and name HD1%)
      3.100     1.200     1.200 peak  1649 spectrum    1 weight  0.11000E+01 volume  0.18518E-02 ppm1      6.828 ppm2      0.557 CV     1
 ASSI { 1651}
   (  segid "    " and resid 42   and name HE% )
   (  segid "    " and resid 57   and name HG1%)
      3.000     3.000     3.000 peak  1651 spectrum    1 weight  0.11000E+01 volume  0.14674E-02 ppm1      6.588 ppm2      0.566 CV     1
 ASSI { 1652}
   (  segid "    " and resid 118  and name HE% )
   (  segid "    " and resid 83   and name HG1%)
      3.200     1.300     1.300 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.17893E-02 ppm1      6.504 ppm2      0.670 CV     1
 ASSI { 1654}
   (( segid "    " and resid 69   and name HE2 ))
   (  segid "    " and resid 31   and name HD1%)
      2.900     2.900     3.100 peak  1654 spectrum    1 weight  0.11000E+01 volume  0.13573E-02 ppm1      6.243 ppm2      0.559 CV     1
 OR { 1654}
   (( segid "    " and resid 69   and name HE1 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1655}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     2.900     3.100 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.23473E-02 ppm1      6.290 ppm2      0.595 CV     1
 ASSI { 1656}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 70   and name HG2%)
      2.600     2.600     3.400 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.31801E-02 ppm1      6.355 ppm2      0.595 CV     1
 ASSI { 1657}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      2.300     2.300     3.700 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.65532E-02 ppm1      6.354 ppm2      0.552 CV     1
 ASSI { 1662}
   (  segid "    " and resid 42   and name HE% )
   (  segid "    " and resid 31   and name HG2%)
      3.900     3.900     2.100 peak  1662 spectrum    1 weight  0.11000E+01 volume  0.22058E-03 ppm1      6.596 ppm2      0.707 CV     1
 ASSI { 1664}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 31   and name HG2%)
      2.200     2.200     3.800 peak  1664 spectrum    1 weight  0.11000E+01 volume  0.64671E-02 ppm1      6.829 ppm2      0.692 CV     1
 ASSI { 1668}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     3.200     2.800 peak  1668 spectrum    1 weight  0.11000E+01 volume  0.11500E-02 ppm1      6.997 ppm2      0.670 CV     1
 ASSI { 1672}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 105  and name HG2%)
      3.300     1.400     1.400 peak  1672 spectrum    1 weight  0.11000E+01 volume  0.62823E-03 ppm1      7.257 ppm2     -0.110 CV     1
 ASSI { 1673}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 57   and name HG2%)
      2.600     2.600     3.400 peak  1673 spectrum    1 weight  0.11000E+01 volume  0.23280E-02 ppm1      6.830 ppm2     -0.063 CV     1
 ASSI { 1674}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 105  and name HG1%)
      2.900     2.900     3.100 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.22511E-02 ppm1      7.259 ppm2      0.466 CV     1
 ASSI { 1677}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 67   and name HB% )
      2.600     2.600     3.400 peak  1677 spectrum    1 weight  0.11000E+01 volume  0.38805E-02 ppm1      6.355 ppm2     -0.831 CV     1
 ASSI { 1678}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 67   and name HB% )
      2.900     2.900     3.100 peak  1678 spectrum    1 weight  0.11000E+01 volume  0.20660E-02 ppm1      6.292 ppm2     -0.831 CV     1
 ASSI { 1679}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 105  and name HG2%)
      3.400     1.500     1.500 peak  1679 spectrum    1 weight  0.11000E+01 volume  0.55280E-03 ppm1      7.677 ppm2     -0.111 CV     1
 ASSI { 1680}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 33   and name HD1%)
      2.900     1.000     1.000 peak  1680 spectrum    1 weight  0.11000E+01 volume  0.19189E-02 ppm1      7.453 ppm2      0.190 CV     1
 ASSI { 1681}
   (( segid "    " and resid 96   and name HZ  ))
   (  segid "    " and resid 105  and name HG2%)
      4.400     2.400     1.600 peak  1681 spectrum    1 weight  0.11000E+01 volume  0.27608E-03 ppm1      7.337 ppm2     -0.112 CV     1
 ASSI { 1683}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 70   and name HG2%)
      2.700     2.700     3.300 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.22943E-02 ppm1      7.679 ppm2      0.590 CV     1
 ASSI { 1684}
   (( segid "    " and resid 96   and name HZ  ))
   (  segid "    " and resid 107  and name HG2%)
      2.800     2.800     3.200 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.23961E-02 ppm1      7.340 ppm2      0.572 CV     1
 ASSI { 1694}
   (( segid "    " and resid 96   and name HZ  ))
   (  segid "    " and resid 122  and name HG2%)
      3.200     1.300     1.300 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.12560E-02 ppm1      7.342 ppm2      1.080 CV     1
 ASSI { 1696}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 122  and name HG2%)
      2.900     2.900     3.100 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.22512E-02 ppm1      7.678 ppm2      1.078 CV     1
 ASSI { 1697}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 33   and name HB2 ))
      3.700     1.800     1.800 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.36759E-03 ppm1      7.455 ppm2      1.638 CV     1
 ASSI { 1698}
   (( segid "    " and resid 52   and name HE  ))
   (( segid "    " and resid 52   and name HG2 ))
      5.400     5.400     0.600 peak  1698 spectrum    1 weight  0.11000E+01 volume  0.32651E-04 ppm1      7.415 ppm2      1.714 CV     1
 ASSI { 1700}
   (( segid "    " and resid 52   and name HE  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.000     2.000     2.000 peak  1700 spectrum    1 weight  0.11000E+01 volume  0.23793E-03 ppm1      7.415 ppm2      1.857 CV     1
 ASSI { 1702}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      4.200     2.200     1.800 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.33661E-03 ppm1      7.054 ppm2      2.514 CV     1
 ASSI { 1704}
   (( segid "    " and resid 52   and name HE  ))
   (( segid "    " and resid 52   and name HD1 ))
      4.000     2.000     2.000 peak  1704 spectrum    1 weight  0.11000E+01 volume  0.19438E-03 ppm1      7.415 ppm2      3.084 CV     1
 OR { 1704}
   (( segid "    " and resid 52   and name HE  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1705}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 35   and name HA2 ))
      2.800     1.000     1.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.14631E-02 ppm1      7.452 ppm2      3.910 CV     1
 OR { 1705}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1706}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 37   and name HA2 ))
      3.900     1.900     1.900 peak  1706 spectrum    1 weight  0.11000E+01 volume  0.19566E-03 ppm1      7.449 ppm2      3.552 CV     1
 ASSI { 1707}
   (  segid "    " and resid 94   and name HD% )
   (( segid "    " and resid 94   and name HA  ))
      5.700     4.100     0.300 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.25530E-04 ppm1      7.633 ppm2      4.691 CV     1
 ASSI { 1710}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 89   and name HA  ))
      6.000     6.000     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.11429E-04 ppm1      7.070 ppm2      5.452 CV     1
 ASSI { 1712}
   (  segid "    " and resid 94   and name HD% )
   (  segid "    " and resid 92   and name HE% )
      2.800     1.000     1.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.19563E-02 ppm1      7.632 ppm2      6.690 CV     1
 ASSI { 1718}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 119  and name HH2 ))
      2.900     1.100     1.100 peak  1718 spectrum    1 weight  0.11000E+01 volume  0.16565E-02 ppm1      7.541 ppm2      7.023 CV     1
 ASSI { 1726}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 120  and name HG2%)
      3.900     1.900     1.900 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.30958E-03 ppm1      5.941 ppm2      0.794 CV     1
 ASSI { 1728}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 30   and name HB% )
      6.000     5.600     0.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.37570E-04 ppm1      5.989 ppm2      1.548 CV     1
 ASSI { 1729}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.400     0.700     0.700 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.38232E-02 ppm1      5.873 ppm2      1.815 CV     1
 ASSI { 1731}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.200     0.600     0.600 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.68787E-02 ppm1      5.938 ppm2      2.118 CV     1
 ASSI { 1734}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG1 ))
      2.700     0.900     0.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.33146E-02 ppm1      5.942 ppm2      2.592 CV     1
 OR { 1734}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
 ASSI { 1735}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.13440E-02 ppm1      6.112 ppm2      3.119 CV     1
 ASSI { 1736}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.200     1.300     1.300 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.11869E-02 ppm1      5.993 ppm2      3.061 CV     1
 ASSI { 1737}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      2.700     0.900     0.900 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.15571E-02 ppm1      5.989 ppm2      3.117 CV     1
 ASSI { 1738}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 120  and name HA  ))
      2.200     0.600     0.600 peak  1738 spectrum    1 weight  0.11000E+01 volume  0.44577E-02 ppm1      5.941 ppm2      4.335 CV     1
 ASSI { 1739}
   (( segid "    " and resid 69   and name H2  ))
   (( segid "    " and resid 96   and name HA  ))
      2.300     0.700     0.700 peak  1739 spectrum    1 weight  0.11000E+01 volume  0.61979E-02 ppm1      5.973 ppm2      5.554 CV     1
 ASSI { 1740}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 108  and name HA  ))
      1.800     0.400     0.400 peak  1740 spectrum    1 weight  0.11000E+01 volume  0.15537E-01 ppm1      5.879 ppm2      5.628 CV     1
 ASSI { 1745}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.600     0.600 peak  1745 spectrum    1 weight  0.11000E+01 volume  0.48520E-02 ppm1      5.543 ppm2      3.983 CV     1
 ASSI { 1747}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.700     0.900     0.900 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.19361E-02 ppm1      5.449 ppm2      3.269 CV     1
 ASSI { 1748}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      2.000     0.500     0.500 peak  1748 spectrum    1 weight  0.11000E+01 volume  0.78111E-02 ppm1      5.293 ppm2      4.622 CV     1
 ASSI { 1753}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      1.800     0.400     0.400 peak  1753 spectrum    1 weight  0.11000E+01 volume  0.13467E-01 ppm1      5.455 ppm2      5.158 CV     1
 ASSI { 1771}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 67   and name HB% )
      6.000     6.000     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.78721E-05 ppm1      4.338 ppm2     -0.828 CV     1
 ASSI { 1772}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      2.800     1.000     1.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.26545E-02 ppm1      4.331 ppm2      1.001 CV     1
 ASSI { 1773}
   (( segid "    " and resid 120  and name HA  ))
   (  segid "    " and resid 120  and name HG2%)
      2.800     1.000     1.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.17111E-02 ppm1      4.331 ppm2      0.798 CV     1
 ASSI { 1776}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
      2.700     2.700     3.300 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.20602E-02 ppm1      4.307 ppm2      0.467 CV     1
 ASSI { 1781}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
      2.800     1.000     1.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.24431E-02 ppm1      4.176 ppm2      1.184 CV     1
 OR { 1781}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1792}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 103  and name HG2%)
      2.300     0.700     0.700 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.63049E-02 ppm1      4.033 ppm2      1.128 CV     1
 ASSI { 1799}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HG2%)
      2.400     2.400     3.600 peak  1799 spectrum    1 weight  0.11000E+01 volume  0.70048E-02 ppm1      3.946 ppm2      0.863 CV     1
 ASSI { 1808}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HG2%)
      1.800     1.800     4.200 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.22368E-01 ppm1      3.817 ppm2      0.947 CV     1
 ASSI { 1827}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HG2%)
      1.900     1.900     4.100 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.20611E-01 ppm1      3.670 ppm2      0.781 CV     1
 ASSI { 1829}
   (( segid "    " and resid 59   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.200     2.200     1.800 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.65047E-03 ppm1      3.659 ppm2      0.876 CV     1
 ASSI { 1845}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 67   and name HB% )
      4.200     2.200     1.800 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.18468E-03 ppm1      3.586 ppm2     -0.831 CV     1
 ASSI { 1859}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
      3.000     3.000     3.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.42643E-02 ppm1      3.477 ppm2      0.671 CV     1
 ASSI { 1861}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HD2 ))
      2.500     0.800     0.800 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.33267E-02 ppm1      3.473 ppm2      1.072 CV     1
 OR { 1861}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
 OR { 1861}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1863}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.400     2.400     3.600 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.36119E-02 ppm1      3.473 ppm2     -0.521 CV     1
 ASSI { 1877}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.200     2.200     1.800 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.29114E-03 ppm1      4.537 ppm2      2.764 CV     1
 ASSI { 1880}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 111  and name HG1 ))
      4.200     2.200     1.800 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.31373E-03 ppm1      4.427 ppm2      1.941 CV     1
 ASSI { 1886}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 60   and name HB1 ))
      2.600     2.600     3.400 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.99322E-02 ppm1      4.333 ppm2      1.857 CV     1
 ASSI { 1887}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 110  and name HD1 ))
      4.300     2.300     1.700 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.23797E-03 ppm1      4.329 ppm2      1.737 CV     1
 OR { 1887}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 1889}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 101  and name HG2%)
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.24261E-02 ppm1      4.322 ppm2      1.247 CV     1
 ASSI { 1893}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.300     2.400     1.700 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.19763E-03 ppm1      4.302 ppm2      1.551 CV     1
 ASSI { 1907}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.13235E-02 ppm1      4.223 ppm2      1.532 CV     1
 ASSI { 1909}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.300     0.600     0.600 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.86359E-02 ppm1      4.173 ppm2      1.723 CV     1
 ASSI { 1912}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 54   and name HG1 ))
      4.200     2.200     1.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.21839E-03 ppm1      4.157 ppm2      2.259 CV     1
 OR { 1912}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1928}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HB1 ))
      2.600     0.800     0.800 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.99172E-02 ppm1      4.070 ppm2      2.257 CV     1
 OR { 1928}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HB2 ))
 ASSI { 1934}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      2.800     1.000     1.000 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.27582E-02 ppm1      4.049 ppm2      1.757 CV     1
 OR { 1934}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1935}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.400     1.400     1.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.67658E-03 ppm1      4.048 ppm2      1.240 CV     1
 ASSI { 1937}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      2.300     0.600     0.600 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.74722E-02 ppm1      4.042 ppm2      1.529 CV     1
 OR { 1937}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 1942}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.700     2.800     1.300 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.11074E-03 ppm1      4.005 ppm2      1.482 CV     1
 OR { 1942}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1944}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      2.100     2.100     3.900 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.11565E-01 ppm1      3.997 ppm2      1.431 CV     1
 ASSI { 1949}
   (( segid "    " and resid 101  and name HB  ))
   (  segid "    " and resid 101  and name HG2%)
      2.100     2.100     3.900 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.11364E-01 ppm1      3.982 ppm2      1.248 CV     1
 ASSI { 1960}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 97   and name HB2 ))
      5.300     3.500     0.700 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.62655E-04 ppm1      3.853 ppm2      2.205 CV     1
 ASSI { 1961}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      2.700     0.900     0.900 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.27231E-02 ppm1      3.838 ppm2      2.133 CV     1
 ASSI { 1964}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     3.400     2.600 peak  1964 spectrum    1 weight  0.11000E+01 volume  0.28688E-03 ppm1      3.697 ppm2      2.152 CV     1
 ASSI { 1985}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.400     2.400     3.600 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      3.556 ppm2      1.636 CV     1
 ASSI { 1988}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.500     0.300     0.700 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.28495E-01 ppm1      3.523 ppm2      2.775 CV     1
 ASSI { 1997}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.14612E-02 ppm1      3.388 ppm2      1.671 CV     1
 ASSI { 1998}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.700     0.900     0.900 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.21442E-02 ppm1      3.386 ppm2      1.752 CV     1
 OR { 1998}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 2000}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.000     0.500     0.500 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.14144E-01 ppm1      3.370 ppm2      2.070 CV     1
 OR { 2000}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 2001}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     2.600     3.400 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.47699E-02 ppm1      3.358 ppm2      1.513 CV     1
 OR { 2001}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 2006}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.18289E-02 ppm1      4.083 ppm2      3.123 CV     1
 ASSI { 2007}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     3.000     3.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.35075E-02 ppm1      4.194 ppm2      3.365 CV     1
 ASSI { 2008}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.400     1.400 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      4.081 ppm2      3.299 CV     1
 ASSI { 2011}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HA2 ))
      1.600     0.300     0.600 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.19806E-01 ppm1      4.148 ppm2      3.573 CV     1
 ASSI { 2012}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      1.900     0.500     0.500 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.67638E-02 ppm1      3.716 ppm2      3.364 CV     1
 ASSI { 2014}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 59   and name HA2 ))
      1.700     0.400     0.500 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.19110E-01 ppm1      4.338 ppm2      3.662 CV     1
 ASSI { 2016}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 115  and name HA2 ))
      1.600     0.300     0.600 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.27276E-01 ppm1      4.118 ppm2      3.749 CV     1
 ASSI { 2029}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 51   and name HA1 ))
      1.700     0.400     0.500 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.15972E-01 ppm1      3.936 ppm2      4.217 CV     1
 ASSI { 2030}
   (( segid "    " and resid 86   and name HA2 ))
   (( segid "    " and resid 86   and name HA1 ))
      1.800     0.400     0.400 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.12711E-01 ppm1      3.981 ppm2      4.256 CV     1
 ASSI { 2031}
   (( segid "    " and resid 47   and name HA2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     2.400     3.600 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.82563E-02 ppm1      4.094 ppm2      4.336 CV     1
 ASSI { 2032}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 113  and name HA  ))
      2.400     2.400     3.600 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.10954E-01 ppm1      3.748 ppm2      4.138 CV     1
 ASSI { 2036}
   (( segid "    " and resid 77   and name HA2 ))
   (( segid "    " and resid 77   and name HA1 ))
      1.600     0.300     0.600 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.20947E-01 ppm1      3.443 ppm2      4.050 CV     1
 ASSI { 2043}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 117  and name HB1 ))
      2.000     0.500     0.500 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.88061E-02 ppm1      3.518 ppm2      3.700 CV     1
 ASSI { 2046}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HB2 ))
      1.500     0.300     0.700 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.19892E-01 ppm1      3.400 ppm2      3.070 CV     1
 ASSI { 2051}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.100     0.600     0.600 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.39440E-02 ppm1      3.145 ppm2      2.717 CV     1
 ASSI { 2052}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HB2 ))
      2.200     0.600     0.600 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.44915E-02 ppm1      3.161 ppm2      2.206 CV     1
 ASSI { 2053}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.600     0.300     0.600 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.22691E-01 ppm1      2.885 ppm2      2.151 CV     1
 ASSI { 2058}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 78   and name HG2 ))
      2.200     0.600     0.600 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.97198E-02 ppm1      2.856 ppm2      1.383 CV     1
 OR { 2058}
   (( segid "    " and resid 78   and name HE1 ))
   (( segid "    " and resid 78   and name HG1 ))
 OR { 2058}
   (( segid "    " and resid 78   and name HE1 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR { 2058}
   (( segid "    " and resid 78   and name HE2 ))
   (( segid "    " and resid 78   and name HG1 ))
 ASSI { 2068}
   (( segid "    " and resid 122  and name HB  ))
   (  segid "    " and resid 122  and name HG2%)
      2.500     0.800     0.800 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.31460E-02 ppm1      2.462 ppm2      1.078 CV     1
 ASSI { 2080}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      1.500     0.300     0.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.38090E-01 ppm1      2.867 ppm2      2.630 CV     1
 ASSI { 2082}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HB2 ))
      1.400     0.300     0.800 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.36091E-01 ppm1      3.268 ppm2      3.056 CV     1
 ASSI { 2083}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HB2 ))
      1.900     0.400     0.400 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.22292E-01 ppm1      2.346 ppm2      2.027 CV     1
 OR { 2083}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI { 2086}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 49   and name HG12))
      1.700     0.400     0.500 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.39963E-01 ppm1      2.126 ppm2      0.817 CV     1
 ASSI { 2089}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HD1%)
      2.100     2.100     3.900 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.18466E-01 ppm1      2.133 ppm2      0.937 CV     1
 ASSI { 2096}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      1.700     1.700     4.300 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.38212E-01 ppm1      1.628 ppm2      0.757 CV     1
 ASSI { 2105}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HG1 ))
      1.700     0.400     0.500 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.34865E-01 ppm1      1.496 ppm2      1.068 CV     1
 OR { 2105}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG2 ))
 OR { 2105}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG1 ))
 OR { 2105}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HG2 ))
 OR { 2105}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HD2 ))
 ASSI { 2106}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HG1 ))
      1.900     0.500     0.500 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.19272E-01 ppm1      1.622 ppm2      1.059 CV     1
 OR { 2106}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI { 2112}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      1.900     1.900     4.100 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.12328E-01 ppm1      1.502 ppm2     -0.520 CV     1
 ASSI { 2114}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
      3.000     1.100     1.100 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.95195E-03 ppm1      1.845 ppm2     -0.111 CV     1
 ASSI { 2115}
   (( segid "    " and resid 57   and name HB  ))
   (  segid "    " and resid 57   and name HG2%)
      3.000     1.100     1.100 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.88566E-03 ppm1      1.874 ppm2     -0.061 CV     1
 ASSI { 2117}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 39   and name HG2%)
      2.900     2.900     3.100 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.16391E-02 ppm1      1.792 ppm2      0.303 CV     1
 ASSI { 2118}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG1%)
      2.700     0.900     0.900 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.21287E-02 ppm1      1.848 ppm2      0.471 CV     1
 ASSI { 2121}
   (( segid "    " and resid 120  and name HB  ))
   (  segid "    " and resid 120  and name HG2%)
      2.000     2.000     4.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.13084E-01 ppm1      1.799 ppm2      0.796 CV     1
 ASSI { 2122}
   (( segid "    " and resid 57   and name HB  ))
   (  segid "    " and resid 40   and name HD1%)
      1.600     1.600     4.400 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.27157E-01 ppm1      1.881 ppm2      0.755 CV     1
 ASSI { 2125}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 67   and name HB% )
      2.800     2.800     3.200 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.18738E-02 ppm1      0.589 ppm2     -0.831 CV     1
 ASSI { 2136}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 39   and name HG2%)
      1.800     1.800     4.200 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.14709E-01 ppm1      0.682 ppm2      0.303 CV     1
 ASSI { 2155}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      1.300     0.200     0.900 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.54392E-01 ppm1      1.716 ppm2      1.383 CV     1
 ASSI { 2156}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HG  ))
      1.500     0.300     0.700 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.68635E-01 ppm1      1.633 ppm2      1.384 CV     1
 ASSI { 2158}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.200     0.600     0.600 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.77885E-02 ppm1      1.837 ppm2      1.532 CV     1
 OR { 2158}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 2159}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.40364E-02 ppm1      1.889 ppm2      1.530 CV     1
 OR { 2159}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 2166}
   (( segid "    " and resid 125  and name HB  ))
   (  segid "    " and resid 125  and name HG2%)
      2.300     0.700     0.700 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.64216E-02 ppm1      1.881 ppm2      0.862 CV     1
 ASSI { 2179}
   (( segid "    " and resid 68   and name HD2 ))
   (  segid "    " and resid 67   and name HB% )
      6.000     5.800     0.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.34625E-04 ppm1      2.712 ppm2     -0.827 CV     1
 ASSI { 2185}
   (  segid "    " and resid 120  and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      3.600     3.600     2.400 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.69908E-03 ppm1      0.791 ppm2      0.188 CV     1
 ASSI { 2198}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 107  and name HG2%)
      3.300     3.300     2.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.10989E-02 ppm1      2.559 ppm2      0.574 CV     1
 ASSI { 2202}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 39   and name HG12))
      2.900     1.100     1.100 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.30029E-02 ppm1      2.628 ppm2      0.836 CV     1
 ASSI { 2212}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 66   and name HG2%)
      5.000     3.200     1.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.20209E-03 ppm1      2.632 ppm2      0.779 CV     1
 ASSI { 2224}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 56   and name HG2 ))
      3.000     1.100     1.100 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.27145E-02 ppm1      2.767 ppm2      2.296 CV     1
 ASSI { 2239}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 45   and name HB% )
      4.400     2.400     1.600 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.23149E-03 ppm1      3.048 ppm2      1.291 CV     1
 ASSI { 2246}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 66   and name HG2%)
      2.700     2.700     3.300 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.28346E-02 ppm1      2.842 ppm2      0.780 CV     1
 OR { 2246}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI { 2253}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      3.000     1.100     1.100 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.13823E-02 ppm1      2.461 ppm2      1.531 CV     1
 OR { 2253}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
 OR { 2253}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
 OR { 2253}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 2264}
   (( segid "    " and resid 69   and name H2  ))
   (  segid "    " and resid 67   and name HB% )
      3.600     1.600     1.600 peak  2264 spectrum    1 weight  0.11000E+01 volume  0.49707E-03 ppm1      5.973 ppm2     -0.832 CV     1
 ASSI { 2268}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  2268 spectrum    1 weight  0.11000E+01 volume  0.18848E-02 ppm1      6.502 ppm2      3.367 CV     1
 ASSI { 2269}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.600     1.500 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.10155E-03 ppm1      6.505 ppm2      5.079 CV     1
 ASSI { 2270}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak  2270 spectrum    1 weight  0.11000E+01 volume  0.51217E-02 ppm1      7.728 ppm2      4.482 CV     1
 ASSI { 2273}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      6.000     6.000     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.19520E-04 ppm1      8.574 ppm2      1.293 CV     1
 ASSI { 2274}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.600     2.700     1.400 peak  2274 spectrum    1 weight  0.11000E+01 volume  0.19717E-03 ppm1      7.728 ppm2      2.716 CV     1
 ASSI { 2275}
   (( segid "    " and resid 69   and name H3  ))
   (  segid "    " and resid 98   and name HD% )
      2.600     0.800     0.800 peak  2275 spectrum    1 weight  0.11000E+01 volume  0.28454E-02 ppm1      7.728 ppm2      7.227 CV     1
 ASSI { 2277}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 107  and name HG2%)
      3.200     3.200     2.800 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.12921E-02 ppm1      7.090 ppm2      0.572 CV     1
 ASSI { 2278}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
      3.000     3.000     3.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.17943E-02 ppm1      7.058 ppm2      0.593 CV     1
 ASSI { 2282}
   (( segid "    " and resid 52   and name HE  ))
   (( segid "    " and resid 69   and name HD1 ))
      3.200     3.200     2.800 peak  2282 spectrum    1 weight  0.11000E+01 volume  0.15645E-02 ppm1      7.415 ppm2      6.992 CV     1
 ASSI { 2283}
   (  segid "    " and resid 94   and name HE% )
   (( segid "    " and resid 74   and name HG2 ))
      2.500     0.800     0.800 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.64807E-02 ppm1      7.063 ppm2      2.115 CV     1
 ASSI { 2284}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     6.000     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.16223E-04 ppm1      7.070 ppm2      1.808 CV     1
 ASSI { 2286}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 110  and name HB1 ))
      5.900     4.400     0.100 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.28495E-04 ppm1      7.070 ppm2      1.623 CV     1
 OR { 2286}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI { 2294}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 106  and name HG1 ))
      5.100     3.300     0.900 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.93070E-04 ppm1      7.096 ppm2      1.547 CV     1
 OR { 2294}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 106  and name HG2 ))
 ASSI { 2296}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 110  and name HG1 ))
      3.600     1.600     1.600 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.50716E-03 ppm1      7.217 ppm2      1.343 CV     1
 OR { 2296}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 110  and name HG2 ))
 ASSI { 2297}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 108  and name HB1 ))
      2.700     0.900     0.900 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.14239E-02 ppm1      7.217 ppm2      3.409 CV     1
 ASSI { 2299}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 119  and name HA  ))
      3.700     1.700     1.700 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.43724E-03 ppm1      6.775 ppm2      5.138 CV     1
 ASSI { 2303}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 31   and name HG2%)
      2.400     2.400     3.600 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.20242E-02 ppm1      6.355 ppm2      0.706 CV     1
 ASSI { 2305}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 122  and name HG2%)
      5.800     4.200     0.200 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.29619E-04 ppm1      6.291 ppm2      1.079 CV     1
 ASSI { 2306}
   (  segid "    " and resid 96   and name HE% )
   (( segid "    " and resid 69   and name HE2 ))
      4.000     4.000     2.000 peak  2306 spectrum    1 weight  0.11000E+01 volume  0.31745E-03 ppm1      7.679 ppm2      6.267 CV     1
 ASSI { 2311}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 118  and name HB2 ))
      3.900     1.900     1.900 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.20386E-03 ppm1      7.455 ppm2      2.685 CV     1
 ASSI { 2312}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 118  and name HB1 ))
      5.800     4.200     0.200 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.97334E-04 ppm1      7.455 ppm2      2.826 CV     1
 ASSI { 2314}
   (( segid "    " and resid 69   and name HE1 ))
   (( segid "    " and resid 46   and name HG1 ))
      3.600     1.600     1.600 peak  2314 spectrum    1 weight  0.11000E+01 volume  0.19130E-03 ppm1      6.243 ppm2      1.875 CV     1
 OR { 2314}
   (( segid "    " and resid 69   and name HE1 ))
   (( segid "    " and resid 46   and name HG2 ))
 OR { 2314}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2315}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 46   and name HG2 ))
      2.200     2.200     3.800 peak  2315 spectrum    1 weight  0.11000E+01 volume  0.10331E-01 ppm1      0.557 ppm2      1.878 CV     1
 OR { 2315}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 2316}
   (  segid "    " and resid 67   and name HB% )
   (( segid "    " and resid 67   and name HA  ))
      2.300     0.700     0.700 peak  2316 spectrum    1 weight  0.11000E+01 volume  0.49839E-02 ppm1     -0.831 ppm2      4.482 CV     1
 ASSI { 2317}
   (  segid "    " and resid 67   and name HB% )
   (( segid "    " and resid 70   and name HB  ))
      4.400     2.400     1.600 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.24377E-03 ppm1     -0.831 ppm2      4.350 CV     1
 ASSI { 2318}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      2.100     0.600     0.600 peak  2318 spectrum    1 weight  0.11000E+01 volume  0.70759E-02 ppm1      4.942 ppm2      4.811 CV     1
 ASSI { 2319}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 117  and name HA  ))
      2.000     0.500     0.500 peak  2319 spectrum    1 weight  0.11000E+01 volume  0.74485E-02 ppm1      5.079 ppm2      4.563 CV     1
 ASSI { 2320}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      2.300     0.700     0.700 peak  2320 spectrum    1 weight  0.11000E+01 volume  0.40960E-02 ppm1      4.227 ppm2      5.136 CV     1
 ASSI { 2321}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 105  and name HA  ))
      2.100     0.500     0.500 peak  2321 spectrum    1 weight  0.11000E+01 volume  0.82284E-02 ppm1      4.313 ppm2      5.168 CV     1
 ASSI { 2322}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 111  and name HA  ))
      1.700     0.400     0.500 peak  2322 spectrum    1 weight  0.11000E+01 volume  0.15839E-01 ppm1      4.815 ppm2      4.439 CV     1
 ASSI { 2323}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.800     1.800     1.800 peak  2323 spectrum    1 weight  0.11000E+01 volume  0.53469E-03 ppm1      9.179 ppm2      5.570 CV     1
 ASSI {    4}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.100     1.100 peak     4 spectrum    1 weight  0.11000E+01 volume  0.17806E-02 ppm1      9.493 ppm2      5.542 CV     1
 ASSI {    5}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.11000E+01 volume  0.18134E-02 ppm1      9.424 ppm2      3.664 CV     1
 ASSI {   17}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      3.000     1.200     1.200 peak    17 spectrum    1 weight  0.11000E+01 volume  0.14153E-02 ppm1      9.290 ppm2      5.983 CV     1
 ASSI {   19}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.11000E+01 volume  0.29678E-02 ppm1      9.262 ppm2      5.946 CV     1
 ASSI {   24}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.11000E+01 volume  0.24678E-02 ppm1      9.214 ppm2      4.615 CV     1
 ASSI {   31}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.900     1.000     1.000 peak    31 spectrum    1 weight  0.11000E+01 volume  0.19767E-02 ppm1      9.122 ppm2      5.619 CV     1
 ASSI {   37}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.900     0.900 peak    37 spectrum    1 weight  0.11000E+01 volume  0.34661E-02 ppm1      8.999 ppm2      4.756 CV     1
 ASSI {   40}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.11000E+01 volume  0.15298E-02 ppm1      8.954 ppm2      4.707 CV     1
 ASSI {   54}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak    54 spectrum    1 weight  0.11000E+01 volume  0.24105E-02 ppm1      8.577 ppm2      3.959 CV     1
 ASSI {   58}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak    58 spectrum    1 weight  0.11000E+01 volume  0.25896E-02 ppm1      8.519 ppm2      4.927 CV     1
 ASSI {   67}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.11000E+01 volume  0.32192E-02 ppm1      8.322 ppm2      4.712 CV     1
 ASSI {   68}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      3.300     1.400     1.400 peak    68 spectrum    1 weight  0.11000E+01 volume  0.18604E-02 ppm1      8.322 ppm2      2.714 CV     1
 OR {   68}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
 ASSI {   83}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.900     0.900 peak    83 spectrum    1 weight  0.11000E+01 volume  0.35443E-02 ppm1      8.270 ppm2      5.076 CV     1
 ASSI {   91}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.300     0.700     0.700 peak    91 spectrum    1 weight  0.11000E+01 volume  0.93191E-02 ppm1      8.136 ppm2      4.937 CV     1
 ASSI {   92}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.600     0.800     0.800 peak    92 spectrum    1 weight  0.11000E+01 volume  0.74447E-02 ppm1      8.137 ppm2      2.734 CV     1
 OR {   92}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {   94}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak    94 spectrum    1 weight  0.11000E+01 volume  0.57667E-02 ppm1      8.120 ppm2      4.393 CV     1
 ASSI {  102}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak   102 spectrum    1 weight  0.11000E+01 volume  0.36775E-02 ppm1      8.040 ppm2      4.425 CV     1
 ASSI {  105}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.11000E+01 volume  0.29194E-02 ppm1      8.012 ppm2      4.945 CV     1
 ASSI {  108}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak   108 spectrum    1 weight  0.11000E+01 volume  0.57792E-02 ppm1      7.967 ppm2      4.276 CV     1
 ASSI {  111}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   111 spectrum    1 weight  0.11000E+01 volume  0.60328E-02 ppm1      7.962 ppm2      5.058 CV     1
 ASSI {  112}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.700     1.700     1.700 peak   112 spectrum    1 weight  0.11000E+01 volume  0.19010E-02 ppm1      7.962 ppm2      2.868 CV     1
 ASSI {  113}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak   113 spectrum    1 weight  0.11000E+01 volume  0.22044E-02 ppm1      7.962 ppm2      2.626 CV     1
 ASSI {  116}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.11000E+01 volume  0.58344E-02 ppm1      7.944 ppm2      4.256 CV     1
 ASSI {  117}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.500     0.800     0.800 peak   117 spectrum    1 weight  0.11000E+01 volume  0.79038E-02 ppm1      7.945 ppm2      1.291 CV     1
 ASSI {  126}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA1 ))
      2.700     0.900     0.900 peak   126 spectrum    1 weight  0.11000E+01 volume  0.35970E-02 ppm1      7.863 ppm2      4.252 CV     1
 ASSI {  130}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.800     1.000     1.000 peak   130 spectrum    1 weight  0.11000E+01 volume  0.36550E-02 ppm1      7.826 ppm2      4.495 CV     1
 ASSI {  132}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.000     1.200     1.200 peak   132 spectrum    1 weight  0.11000E+01 volume  0.20231E-02 ppm1      7.799 ppm2      4.481 CV     1
 ASSI {  134}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.11000E+01 volume  0.62716E-02 ppm1      7.779 ppm2      4.445 CV     1
 ASSI {  135}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.800     1.800     1.800 peak   135 spectrum    1 weight  0.11000E+01 volume  0.15046E-02 ppm1      7.779 ppm2      1.862 CV     1
 ASSI {  138}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   138 spectrum    1 weight  0.11000E+01 volume  0.30261E-02 ppm1      7.722 ppm2      4.005 CV     1
 ASSI {  142}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      3.000     1.100     1.100 peak   142 spectrum    1 weight  0.11000E+01 volume  0.20811E-02 ppm1      7.587 ppm2      1.429 CV     1
 ASSI {  144}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.600     0.800     0.800 peak   144 spectrum    1 weight  0.11000E+01 volume  0.46391E-02 ppm1      7.586 ppm2      2.383 CV     1
 OR {  144}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  145}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   145 spectrum    1 weight  0.11000E+01 volume  0.13849E-02 ppm1      7.585 ppm2      4.296 CV     1
 ASSI {  146}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   146 spectrum    1 weight  0.11000E+01 volume  0.20146E-02 ppm1      7.579 ppm2      4.311 CV     1
 ASSI {  148}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   148 spectrum    1 weight  0.11000E+01 volume  0.37816E-02 ppm1      7.568 ppm2      4.551 CV     1
 ASSI {  151}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   151 spectrum    1 weight  0.11000E+01 volume  0.29655E-02 ppm1      7.566 ppm2      4.702 CV     1
 ASSI {  153}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.11000E+01 volume  0.87745E-02 ppm1      7.557 ppm2      3.943 CV     1
 ASSI {  154}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB  ))
      3.200     1.300     1.300 peak   154 spectrum    1 weight  0.11000E+01 volume  0.17568E-02 ppm1      7.557 ppm2      1.877 CV     1
 ASSI {  155}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.800     1.000     1.000 peak   155 spectrum    1 weight  0.11000E+01 volume  0.29326E-02 ppm1      7.504 ppm2      4.877 CV     1
 ASSI {  156}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.900     1.100     1.100 peak   156 spectrum    1 weight  0.11000E+01 volume  0.30784E-02 ppm1      7.503 ppm2      3.821 CV     1
 ASSI {  159}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.11000E+01 volume  0.63543E-02 ppm1      7.344 ppm2      4.736 CV     1
 ASSI {  160}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.800     0.800 peak   160 spectrum    1 weight  0.11000E+01 volume  0.48619E-02 ppm1      7.344 ppm2      2.845 CV     1
 OR {  160}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  162}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.900     1.000     1.000 peak   162 spectrum    1 weight  0.11000E+01 volume  0.27053E-02 ppm1      7.082 ppm2      4.548 CV     1
 ASSI {  164}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   164 spectrum    1 weight  0.11000E+01 volume  0.40162E-02 ppm1      6.985 ppm2      3.679 CV     1
 ASSI {  166}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.800     0.800 peak   166 spectrum    1 weight  0.11000E+01 volume  0.43181E-02 ppm1      6.985 ppm2      4.133 CV     1
 ASSI {  175}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   175 spectrum    1 weight  0.11000E+01 volume  0.54256E-02 ppm1      6.544 ppm2      4.063 CV     1
 ASSI {  201}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.100     0.600     0.600 peak   201 spectrum    1 weight  0.11000E+01 volume  0.13549E-01 ppm1      7.331 ppm2      4.556 CV     1
 ASSI {  222}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      3.000     1.100     1.100 peak   222 spectrum    1 weight  0.11000E+01 volume  0.19791E-02 ppm1      8.497 ppm2      4.907 CV     1
 ASSI {  226}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   226 spectrum    1 weight  0.11000E+01 volume  0.30990E-02 ppm1      7.398 ppm2      4.995 CV     1
 ASSI {  229}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.200     1.200 peak   229 spectrum    1 weight  0.11000E+01 volume  0.19644E-02 ppm1      8.324 ppm2      4.201 CV     1
 ASSI {  256}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   256 spectrum    1 weight  0.11000E+01 volume  0.67831E-02 ppm1      8.885 ppm2      4.125 CV     1
 ASSI {  276}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.900     1.900     1.900 peak   276 spectrum    1 weight  0.11000E+01 volume  0.57047E-03 ppm1      8.955 ppm2      1.827 CV     1
 ASSI {  278}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      4.300     2.300     1.700 peak   278 spectrum    1 weight  0.11000E+01 volume  0.31747E-03 ppm1      8.954 ppm2      1.412 CV     1
 OR {  278}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  282}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.600     1.600     1.600 peak   282 spectrum    1 weight  0.11000E+01 volume  0.64869E-03 ppm1      8.444 ppm2      1.483 CV     1
 ASSI {  283}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.500     1.500     1.500 peak   283 spectrum    1 weight  0.11000E+01 volume  0.80378E-03 ppm1      8.444 ppm2      4.433 CV     1
 ASSI {  288}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak   288 spectrum    1 weight  0.11000E+01 volume  0.12618E-02 ppm1      8.888 ppm2      5.551 CV     1
 ASSI {  289}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      5.300     3.500     0.700 peak   289 spectrum    1 weight  0.11000E+01 volume  0.21258E-03 ppm1      8.888 ppm2      3.568 CV     1
 ASSI {  290}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   290 spectrum    1 weight  0.11000E+01 volume  0.35117E-03 ppm1      8.888 ppm2      3.265 CV     1
 ASSI {  292}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.300     1.300 peak   292 spectrum    1 weight  0.11000E+01 volume  0.10807E-02 ppm1      8.570 ppm2      4.773 CV     1
 ASSI {  293}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      4.900     2.900     1.100 peak   293 spectrum    1 weight  0.11000E+01 volume  0.33470E-03 ppm1      8.570 ppm2      3.046 CV     1
 ASSI {  294}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.000     2.000     2.000 peak   294 spectrum    1 weight  0.11000E+01 volume  0.21468E-03 ppm1      8.570 ppm2      2.476 CV     1
 ASSI {  295}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   295 spectrum    1 weight  0.11000E+01 volume  0.32291E-03 ppm1      8.345 ppm2      1.499 CV     1
 OR {  295}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  299}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.300     1.400     1.400 peak   299 spectrum    1 weight  0.11000E+01 volume  0.87331E-03 ppm1      8.398 ppm2      5.875 CV     1
 ASSI {  300}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      4.600     2.700     1.400 peak   300 spectrum    1 weight  0.11000E+01 volume  0.16750E-03 ppm1      8.398 ppm2      2.256 CV     1
 OR {  300}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  301}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      4.800     2.800     1.200 peak   301 spectrum    1 weight  0.11000E+01 volume  0.20981E-03 ppm1      8.398 ppm2      1.810 CV     1
 ASSI {  308}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.600     3.600     2.400 peak   308 spectrum    1 weight  0.11000E+01 volume  0.58845E-03 ppm1      9.288 ppm2      3.079 CV     1
 OR {  308}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI {  309}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      3.300     1.300     1.300 peak   309 spectrum    1 weight  0.11000E+01 volume  0.10021E-02 ppm1      9.179 ppm2      4.756 CV     1
 ASSI {  310}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HB  ))
      3.900     1.900     1.900 peak   310 spectrum    1 weight  0.11000E+01 volume  0.38204E-03 ppm1      9.179 ppm2      2.466 CV     1
 ASSI {  314}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      4.200     2.200     1.800 peak   314 spectrum    1 weight  0.11000E+01 volume  0.27996E-03 ppm1      8.497 ppm2      1.716 CV     1
 ASSI {  315}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      4.400     2.400     1.600 peak   315 spectrum    1 weight  0.11000E+01 volume  0.23138E-03 ppm1      8.497 ppm2      1.559 CV     1
 ASSI {  316}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HD1 ))
      5.000     3.200     1.000 peak   316 spectrum    1 weight  0.11000E+01 volume  0.20628E-03 ppm1      8.497 ppm2      1.388 CV     1
 ASSI {  317}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      3.500     3.500     2.500 peak   317 spectrum    1 weight  0.11000E+01 volume  0.72875E-03 ppm1      9.262 ppm2      2.128 CV     1
 OR {  317}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI {  320}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.600     1.600     1.600 peak   320 spectrum    1 weight  0.11000E+01 volume  0.20158E-02 ppm1      9.492 ppm2      1.510 CV     1
 OR {  320}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  325}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   325 spectrum    1 weight  0.11000E+01 volume  0.48595E-02 ppm1      8.866 ppm2      5.071 CV     1
 ASSI {  326}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.500     1.500 peak   326 spectrum    1 weight  0.11000E+01 volume  0.18136E-02 ppm1      8.269 ppm2      2.772 CV     1
 ASSI {  328}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
      2.300     0.700     0.700 peak   328 spectrum    1 weight  0.11000E+01 volume  0.82292E-02 ppm1      8.867 ppm2      3.905 CV     1
 OR {  328}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
 ASSI {  329}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.600     1.600     1.600 peak   329 spectrum    1 weight  0.11000E+01 volume  0.33598E-02 ppm1      8.866 ppm2      3.520 CV     1
 ASSI {  330}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   330 spectrum    1 weight  0.11000E+01 volume  0.33995E-02 ppm1      8.866 ppm2      2.773 CV     1
 ASSI {  331}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   331 spectrum    1 weight  0.11000E+01 volume  0.61733E-03 ppm1      8.866 ppm2      8.265 CV     1
 ASSI {  333}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.11000E+01 volume  0.23082E-02 ppm1      7.568 ppm2      1.761 CV     1
 ASSI {  334}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.300     1.400     1.400 peak   334 spectrum    1 weight  0.11000E+01 volume  0.14077E-02 ppm1      7.568 ppm2      2.233 CV     1
 ASSI {  335}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.300     1.400     1.400 peak   335 spectrum    1 weight  0.11000E+01 volume  0.10522E-02 ppm1      7.568 ppm2      2.360 CV     1
 ASSI {  336}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.200     1.300     1.300 peak   336 spectrum    1 weight  0.11000E+01 volume  0.12079E-02 ppm1      7.568 ppm2      2.491 CV     1
 ASSI {  343}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      2.600     0.800     0.800 peak   343 spectrum    1 weight  0.11000E+01 volume  0.41550E-02 ppm1      9.213 ppm2      1.714 CV     1
 OR {  343}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      3.200     1.300     1.300 peak   344 spectrum    1 weight  0.11000E+01 volume  0.38689E-02 ppm1      9.213 ppm2      1.545 CV     1
 OR {  344}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG1 ))
 ASSI {  345}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD2 ))
      3.800     1.800     1.800 peak   345 spectrum    1 weight  0.11000E+01 volume  0.17897E-02 ppm1      9.212 ppm2      1.260 CV     1
 OR {  345}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD1 ))
 ASSI {  359}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      4.100     2.100     1.900 peak   359 spectrum    1 weight  0.11000E+01 volume  0.69248E-03 ppm1      7.503 ppm2      2.561 CV     1
 ASSI {  360}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.500     1.600     1.600 peak   360 spectrum    1 weight  0.11000E+01 volume  0.87391E-03 ppm1      7.502 ppm2      2.997 CV     1
 ASSI {  361}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      3.200     1.300     1.300 peak   361 spectrum    1 weight  0.11000E+01 volume  0.15334E-02 ppm1      7.504 ppm2      0.948 CV     1
 ASSI {  364}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.200     0.600     0.600 peak   364 spectrum    1 weight  0.11000E+01 volume  0.10149E-01 ppm1      9.213 ppm2      5.164 CV     1
 ASSI {  368}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      3.300     1.400     1.400 peak   368 spectrum    1 weight  0.11000E+01 volume  0.29768E-02 ppm1      8.888 ppm2      0.947 CV     1
 ASSI {  369}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      3.600     1.600     1.600 peak   369 spectrum    1 weight  0.11000E+01 volume  0.65941E-03 ppm1      8.888 ppm2      3.814 CV     1
 ASSI {  370}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.11000E+01 volume  0.18573E-02 ppm1      8.814 ppm2      4.038 CV     1
 ASSI {  371}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.500     0.800     0.800 peak   371 spectrum    1 weight  0.11000E+01 volume  0.58977E-02 ppm1      8.814 ppm2      4.501 CV     1
 ASSI {  372}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.600     1.600     1.600 peak   372 spectrum    1 weight  0.11000E+01 volume  0.95790E-03 ppm1      8.813 ppm2      1.127 CV     1
 ASSI {  373}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.11000E+01 volume  0.24534E-02 ppm1      8.954 ppm2      1.125 CV     1
 ASSI {  374}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      3.100     1.200     1.200 peak   374 spectrum    1 weight  0.11000E+01 volume  0.17206E-02 ppm1      9.205 ppm2      4.249 CV     1
 ASSI {  376}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.500     1.500     1.500 peak   376 spectrum    1 weight  0.11000E+01 volume  0.13533E-02 ppm1      8.397 ppm2      1.336 CV     1
 ASSI {  377}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      3.500     1.500     1.500 peak   377 spectrum    1 weight  0.11000E+01 volume  0.12865E-02 ppm1      8.396 ppm2      4.246 CV     1
 ASSI {  378}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.200     0.600     0.600 peak   378 spectrum    1 weight  0.11000E+01 volume  0.11002E-01 ppm1      8.396 ppm2      5.035 CV     1
 ASSI {  379}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.800     1.000     1.000 peak   379 spectrum    1 weight  0.11000E+01 volume  0.32490E-02 ppm1      8.040 ppm2      1.931 CV     1
 OR {  379}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  380}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA2 ))
      2.700     0.900     0.900 peak   380 spectrum    1 weight  0.11000E+01 volume  0.52702E-02 ppm1      7.863 ppm2      3.980 CV     1
 ASSI {  381}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.600     0.900     0.900 peak   381 spectrum    1 weight  0.11000E+01 volume  0.40233E-02 ppm1      8.120 ppm2      4.009 CV     1
 ASSI {  382}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.900     1.000     1.000 peak   382 spectrum    1 weight  0.11000E+01 volume  0.47915E-02 ppm1      8.120 ppm2      4.107 CV     1
 ASSI {  383}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   383 spectrum    1 weight  0.11000E+01 volume  0.48110E-02 ppm1      8.310 ppm2      3.365 CV     1
 ASSI {  384}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.100     0.600     0.600 peak   384 spectrum    1 weight  0.11000E+01 volume  0.11688E-01 ppm1      8.310 ppm2      1.509 CV     1
 ASSI {  385}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.500     1.600     1.600 peak   385 spectrum    1 weight  0.11000E+01 volume  0.38405E-02 ppm1      8.310 ppm2      0.668 CV     1
 ASSI {  386}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      2.500     0.800     0.800 peak   386 spectrum    1 weight  0.11000E+01 volume  0.42926E-02 ppm1      7.970 ppm2      4.143 CV     1
 ASSI {  387}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      2.800     1.000     1.000 peak   387 spectrum    1 weight  0.11000E+01 volume  0.52568E-02 ppm1      7.970 ppm2      3.569 CV     1
 ASSI {  389}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.11000E+01 volume  0.23498E-02 ppm1      8.310 ppm2      4.145 CV     1
 ASSI {  390}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      3.100     1.200     1.200 peak   390 spectrum    1 weight  0.11000E+01 volume  0.31279E-02 ppm1      8.311 ppm2      3.566 CV     1
 ASSI {  393}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.400     1.500     1.500 peak   393 spectrum    1 weight  0.11000E+01 volume  0.14138E-02 ppm1      7.586 ppm2      3.362 CV     1
 ASSI {  395}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.300     0.700     0.700 peak   395 spectrum    1 weight  0.11000E+01 volume  0.62206E-02 ppm1      7.587 ppm2      1.509 CV     1
 ASSI {  396}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.400     1.500     1.500 peak   396 spectrum    1 weight  0.11000E+01 volume  0.24412E-02 ppm1      7.588 ppm2      0.670 CV     1
 ASSI {  401}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.400     1.400     1.400 peak   401 spectrum    1 weight  0.11000E+01 volume  0.16335E-02 ppm1      7.863 ppm2      4.386 CV     1
 ASSI {  402}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak   402 spectrum    1 weight  0.11000E+01 volume  0.80883E-02 ppm1      7.863 ppm2      8.131 CV     1
 ASSI {  403}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA2 ))
      3.100     1.200     1.200 peak   403 spectrum    1 weight  0.11000E+01 volume  0.33545E-02 ppm1      8.135 ppm2      3.981 CV     1
 ASSI {  405}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA1 ))
      2.800     1.000     1.000 peak   405 spectrum    1 weight  0.11000E+01 volume  0.28650E-02 ppm1      8.134 ppm2      4.252 CV     1
 ASSI {  407}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      4.100     2.100     1.900 peak   407 spectrum    1 weight  0.11000E+01 volume  0.43591E-03 ppm1      7.587 ppm2      3.562 CV     1
 ASSI {  408}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      3.900     1.900     1.900 peak   408 spectrum    1 weight  0.11000E+01 volume  0.41664E-03 ppm1      8.120 ppm2      3.578 CV     1
 ASSI {  410}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      4.400     2.400     1.600 peak   410 spectrum    1 weight  0.11000E+01 volume  0.49545E-03 ppm1      7.589 ppm2      4.143 CV     1
 ASSI {  412}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.200     1.300     1.300 peak   412 spectrum    1 weight  0.11000E+01 volume  0.14398E-02 ppm1      7.863 ppm2      3.365 CV     1
 ASSI {  414}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak   414 spectrum    1 weight  0.11000E+01 volume  0.70045E-02 ppm1      8.137 ppm2      7.859 CV     1
 ASSI {  415}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.300     0.700     0.700 peak   415 spectrum    1 weight  0.11000E+01 volume  0.82487E-02 ppm1      8.040 ppm2      4.935 CV     1
 ASSI {  416}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.100     1.200     1.200 peak   416 spectrum    1 weight  0.11000E+01 volume  0.38964E-02 ppm1      8.040 ppm2      1.070 CV     1
 OR {  416}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  417}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.500     1.500     1.500 peak   417 spectrum    1 weight  0.11000E+01 volume  0.15478E-02 ppm1      8.040 ppm2      2.734 CV     1
 OR {  417}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {  420}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.300     0.700     0.700 peak   420 spectrum    1 weight  0.11000E+01 volume  0.74990E-02 ppm1      9.087 ppm2      5.445 CV     1
 ASSI {  423}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.300     1.300     1.300 peak   423 spectrum    1 weight  0.11000E+01 volume  0.17727E-02 ppm1      9.085 ppm2      1.069 CV     1
 OR {  423}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  425}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.800     1.800     1.800 peak   425 spectrum    1 weight  0.11000E+01 volume  0.50103E-03 ppm1      9.087 ppm2      3.264 CV     1
 ASSI {  426}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      4.300     2.400     1.700 peak   426 spectrum    1 weight  0.11000E+01 volume  0.11143E-02 ppm1      9.206 ppm2      3.267 CV     1
 ASSI {  427}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.300     2.300     1.700 peak   427 spectrum    1 weight  0.11000E+01 volume  0.62878E-03 ppm1      9.204 ppm2      3.050 CV     1
 ASSI {  428}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.900     1.000     1.000 peak   428 spectrum    1 weight  0.11000E+01 volume  0.22549E-02 ppm1      8.963 ppm2      4.307 CV     1
 ASSI {  429}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      2.900     1.100     1.100 peak   429 spectrum    1 weight  0.11000E+01 volume  0.23965E-02 ppm1      8.963 ppm2      1.988 CV     1
 ASSI {  430}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.600     0.800     0.800 peak   430 spectrum    1 weight  0.11000E+01 volume  0.49311E-02 ppm1      8.963 ppm2      1.716 CV     1
 ASSI {  431}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      3.100     1.200     1.200 peak   431 spectrum    1 weight  0.11000E+01 volume  0.21480E-02 ppm1      8.963 ppm2      1.539 CV     1
 OR {  431}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  435}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      4.300     2.300     1.700 peak   435 spectrum    1 weight  0.11000E+01 volume  0.66592E-03 ppm1      8.962 ppm2      7.561 CV     1
 ASSI {  437}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HD2 ))
      4.200     2.200     1.800 peak   437 spectrum    1 weight  0.11000E+01 volume  0.58941E-03 ppm1      8.497 ppm2      1.272 CV     1
 ASSI {  439}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      3.700     1.700     1.700 peak   439 spectrum    1 weight  0.11000E+01 volume  0.10791E-02 ppm1      9.214 ppm2      7.556 CV     1
 ASSI {  444}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      3.500     1.500     1.500 peak   444 spectrum    1 weight  0.11000E+01 volume  0.13182E-02 ppm1      9.409 ppm2      4.337 CV     1
 ASSI {  445}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      3.000     1.100     1.100 peak   445 spectrum    1 weight  0.11000E+01 volume  0.16723E-02 ppm1      9.409 ppm2      4.532 CV     1
 ASSI {  446}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
      3.700     1.700     1.700 peak   446 spectrum    1 weight  0.11000E+01 volume  0.13797E-02 ppm1      9.316 ppm2      1.745 CV     1
 OR {  446}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI {  447}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.400     1.400     1.400 peak   447 spectrum    1 weight  0.11000E+01 volume  0.11926E-02 ppm1      9.316 ppm2      1.619 CV     1
 OR {  447}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
 ASSI {  448}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      3.100     1.200     1.200 peak   448 spectrum    1 weight  0.11000E+01 volume  0.14217E-02 ppm1      9.316 ppm2      1.389 CV     1
 OR {  448}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI {  452}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      3.900     1.900     1.900 peak   452 spectrum    1 weight  0.11000E+01 volume  0.11925E-02 ppm1      9.223 ppm2      0.789 CV     1
 ASSI {  453}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
      2.600     0.900     0.900 peak   453 spectrum    1 weight  0.11000E+01 volume  0.31404E-02 ppm1      9.223 ppm2      1.795 CV     1
 ASSI {  455}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      3.100     1.200     1.200 peak   455 spectrum    1 weight  0.11000E+01 volume  0.24208E-02 ppm1      9.288 ppm2      0.797 CV     1
 ASSI {  458}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.11000E+01 volume  0.12181E-02 ppm1      8.862 ppm2      4.818 CV     1
 ASSI {  459}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      3.000     1.100     1.100 peak   459 spectrum    1 weight  0.11000E+01 volume  0.15468E-02 ppm1      8.860 ppm2      2.673 CV     1
 ASSI {  460}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.900     1.900     1.900 peak   460 spectrum    1 weight  0.11000E+01 volume  0.98599E-03 ppm1      8.860 ppm2      2.828 CV     1
 ASSI {  463}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.11000E+01 volume  0.21424E-02 ppm1      9.324 ppm2      2.203 CV     1
 ASSI {  464}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      3.400     1.500     1.500 peak   464 spectrum    1 weight  0.11000E+01 volume  0.35738E-02 ppm1      9.325 ppm2      2.523 CV     1
 ASSI {  465}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.300     1.300     1.300 peak   465 spectrum    1 weight  0.11000E+01 volume  0.13277E-02 ppm1      7.331 ppm2      3.704 CV     1
 ASSI {  466}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.500     1.500     1.500 peak   466 spectrum    1 weight  0.11000E+01 volume  0.15158E-02 ppm1      7.331 ppm2      3.521 CV     1
 ASSI {  468}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.600     1.600     1.600 peak   468 spectrum    1 weight  0.11000E+01 volume  0.17068E-02 ppm1      8.860 ppm2      3.693 CV     1
 ASSI {  469}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.000     1.100     1.100 peak   469 spectrum    1 weight  0.11000E+01 volume  0.13835E-02 ppm1      8.861 ppm2      3.525 CV     1
 ASSI {  470}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      3.500     1.500     1.500 peak   470 spectrum    1 weight  0.11000E+01 volume  0.12824E-02 ppm1      9.324 ppm2      2.678 CV     1
 ASSI {  471}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      2.800     1.000     1.000 peak   471 spectrum    1 weight  0.11000E+01 volume  0.21806E-02 ppm1      9.324 ppm2      2.823 CV     1
 ASSI {  472}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.200     0.600     0.600 peak   472 spectrum    1 weight  0.11000E+01 volume  0.74071E-02 ppm1      9.324 ppm2      4.811 CV     1
 ASSI {  473}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.900     1.900     1.900 peak   473 spectrum    1 weight  0.11000E+01 volume  0.71751E-03 ppm1      8.866 ppm2      4.554 CV     1
 ASSI {  474}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak   474 spectrum    1 weight  0.11000E+01 volume  0.63992E-03 ppm1      8.861 ppm2      5.083 CV     1
 ASSI {  476}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.11000E+01 volume  0.15551E-02 ppm1      9.493 ppm2      8.861 CV     1
 ASSI {  478}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      4.000     2.000     2.000 peak   478 spectrum    1 weight  0.11000E+01 volume  0.51623E-03 ppm1      9.493 ppm2      9.214 CV     1
 ASSI {  481}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      3.700     1.700     1.700 peak   481 spectrum    1 weight  0.11000E+01 volume  0.10359E-02 ppm1      9.223 ppm2      2.516 CV     1
 ASSI {  482}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.800     1.800     1.800 peak   482 spectrum    1 weight  0.11000E+01 volume  0.16365E-02 ppm1      9.222 ppm2      2.212 CV     1
 ASSI {  483}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak   483 spectrum    1 weight  0.11000E+01 volume  0.22408E-02 ppm1      9.104 ppm2      4.939 CV     1
 ASSI {  484}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.200     1.300     1.300 peak   484 spectrum    1 weight  0.11000E+01 volume  0.49253E-02 ppm1      9.104 ppm2      2.886 CV     1
 ASSI {  485}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   485 spectrum    1 weight  0.11000E+01 volume  0.28100E-02 ppm1      9.104 ppm2      2.147 CV     1
 ASSI {  486}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   486 spectrum    1 weight  0.11000E+01 volume  0.21659E-02 ppm1      8.698 ppm2      3.977 CV     1
 ASSI {  494}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.000     1.200     1.200 peak   494 spectrum    1 weight  0.11000E+01 volume  0.15371E-02 ppm1      8.696 ppm2      2.883 CV     1
 ASSI {  503}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   503 spectrum    1 weight  0.11000E+01 volume  0.30768E-02 ppm1      7.961 ppm2      8.866 CV     1
 ASSI {  504}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
      2.800     1.000     1.000 peak   504 spectrum    1 weight  0.11000E+01 volume  0.29992E-02 ppm1      7.961 ppm2      3.904 CV     1
 OR {  504}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
 ASSI {  505}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      2.500     0.800     0.800 peak   505 spectrum    1 weight  0.11000E+01 volume  0.40108E-02 ppm1      8.714 ppm2      3.552 CV     1
 ASSI {  506}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      3.000     1.100     1.100 peak   506 spectrum    1 weight  0.11000E+01 volume  0.31519E-02 ppm1      8.714 ppm2      4.458 CV     1
 ASSI {  507}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   507 spectrum    1 weight  0.11000E+01 volume  0.82947E-02 ppm1      7.960 ppm2      8.715 CV     1
 ASSI {  509}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   509 spectrum    1 weight  0.11000E+01 volume  0.16775E-02 ppm1      8.715 ppm2      5.056 CV     1
 ASSI {  510}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.400     1.400 peak   510 spectrum    1 weight  0.11000E+01 volume  0.12163E-02 ppm1      8.714 ppm2      2.625 CV     1
 ASSI {  511}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.800     1.800     1.800 peak   511 spectrum    1 weight  0.11000E+01 volume  0.12574E-02 ppm1      8.715 ppm2      2.874 CV     1
 ASSI {  512}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.100     2.100     1.900 peak   512 spectrum    1 weight  0.11000E+01 volume  0.85063E-03 ppm1      9.103 ppm2      5.062 CV     1
 ASSI {  513}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.500     1.500 peak   513 spectrum    1 weight  0.11000E+01 volume  0.20063E-02 ppm1      7.960 ppm2      9.103 CV     1
 ASSI {  514}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   514 spectrum    1 weight  0.11000E+01 volume  0.45588E-02 ppm1      8.714 ppm2      9.102 CV     1
 ASSI {  516}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      3.400     1.400     1.400 peak   516 spectrum    1 weight  0.11000E+01 volume  0.12867E-02 ppm1      9.103 ppm2      4.455 CV     1
 ASSI {  517}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      3.300     1.400     1.400 peak   517 spectrum    1 weight  0.11000E+01 volume  0.15739E-02 ppm1      9.104 ppm2      3.548 CV     1
 ASSI {  520}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak   520 spectrum    1 weight  0.11000E+01 volume  0.56821E-03 ppm1      9.677 ppm2      8.342 CV     1
 ASSI {  528}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      2.900     1.100     1.100 peak   528 spectrum    1 weight  0.11000E+01 volume  0.22786E-02 ppm1      8.396 ppm2      1.900 CV     1
 ASSI {  531}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.600     0.900     0.900 peak   531 spectrum    1 weight  0.11000E+01 volume  0.51593E-02 ppm1      8.849 ppm2      3.267 CV     1
 ASSI {  532}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.11000E+01 volume  0.44784E-02 ppm1      8.849 ppm2      3.515 CV     1
 ASSI {  535}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.700     1.700     1.700 peak   535 spectrum    1 weight  0.11000E+01 volume  0.85930E-03 ppm1      7.800 ppm2      2.191 CV     1
 ASSI {  536}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.500     1.500     1.500 peak   536 spectrum    1 weight  0.11000E+01 volume  0.95330E-03 ppm1      7.800 ppm2      3.155 CV     1
 ASSI {  538}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      4.000     2.000     2.000 peak   538 spectrum    1 weight  0.11000E+01 volume  0.66922E-03 ppm1      7.797 ppm2      3.564 CV     1
 ASSI {  539}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.600     2.700     1.400 peak   539 spectrum    1 weight  0.11000E+01 volume  0.61638E-03 ppm1      7.798 ppm2      3.263 CV     1
 ASSI {  540}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.400     1.500     1.500 peak   540 spectrum    1 weight  0.11000E+01 volume  0.13060E-02 ppm1      6.326 ppm2      2.713 CV     1
 ASSI {  541}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      3.400     1.400     1.400 peak   541 spectrum    1 weight  0.11000E+01 volume  0.13077E-02 ppm1      6.326 ppm2      3.147 CV     1
 ASSI {  542}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.500     1.600     1.600 peak   542 spectrum    1 weight  0.11000E+01 volume  0.80002E-03 ppm1      6.326 ppm2      4.940 CV     1
 ASSI {  544}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.11000E+01 volume  0.16620E-02 ppm1      7.799 ppm2      6.329 CV     1
 ASSI {  548}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.900     1.100     1.100 peak   548 spectrum    1 weight  0.11000E+01 volume  0.25548E-02 ppm1      9.423 ppm2      4.942 CV     1
 ASSI {  549}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      4.400     2.500     1.600 peak   549 spectrum    1 weight  0.11000E+01 volume  0.45038E-03 ppm1      9.424 ppm2      1.868 CV     1
 ASSI {  550}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.700     1.700     1.700 peak   550 spectrum    1 weight  0.11000E+01 volume  0.62621E-03 ppm1      9.423 ppm2      1.625 CV     1
 ASSI {  551}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      3.900     1.900     1.900 peak   551 spectrum    1 weight  0.11000E+01 volume  0.51635E-03 ppm1      9.421 ppm2      1.054 CV     1
 OR {  551}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {  552}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.900     1.900     1.900 peak   552 spectrum    1 weight  0.11000E+01 volume  0.47658E-03 ppm1      7.082 ppm2      1.629 CV     1
 ASSI {  554}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   554 spectrum    1 weight  0.11000E+01 volume  0.38975E-02 ppm1      7.082 ppm2      3.659 CV     1
 ASSI {  555}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.700     0.900     0.900 peak   555 spectrum    1 weight  0.11000E+01 volume  0.43093E-02 ppm1      7.082 ppm2      1.989 CV     1
 OR {  555}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  556}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      3.800     1.800     1.800 peak   556 spectrum    1 weight  0.11000E+01 volume  0.13822E-02 ppm1      7.082 ppm2      2.161 CV     1
 OR {  556}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI {  558}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.11000E+01 volume  0.17662E-02 ppm1      8.573 ppm2      4.328 CV     1
 ASSI {  559}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB  ))
      2.800     1.000     1.000 peak   559 spectrum    1 weight  0.11000E+01 volume  0.39419E-02 ppm1      8.574 ppm2      3.989 CV     1
 ASSI {  560}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HG2%)
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.11000E+01 volume  0.14053E-02 ppm1      8.574 ppm2      1.246 CV     1
 ASSI {  562}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak   562 spectrum    1 weight  0.11000E+01 volume  0.18074E-02 ppm1      7.082 ppm2      9.424 CV     1
 ASSI {  563}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     0.800     0.800 peak   563 spectrum    1 weight  0.11000E+01 volume  0.45061E-02 ppm1      8.573 ppm2      4.553 CV     1
 ASSI {  564}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.500     1.500     1.500 peak   564 spectrum    1 weight  0.11000E+01 volume  0.20596E-02 ppm1      8.573 ppm2      1.995 CV     1
 OR {  564}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  565}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.11000E+01 volume  0.18332E-02 ppm1      8.573 ppm2      2.165 CV     1
 OR {  565}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI {  566}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      3.300     1.300     1.300 peak   566 spectrum    1 weight  0.11000E+01 volume  0.13888E-02 ppm1      7.826 ppm2      3.784 CV     1
 ASSI {  567}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      3.700     1.800     1.800 peak   567 spectrum    1 weight  0.11000E+01 volume  0.98780E-03 ppm1      7.826 ppm2      3.888 CV     1
 ASSI {  568}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      3.000     1.100     1.100 peak   568 spectrum    1 weight  0.11000E+01 volume  0.25735E-02 ppm1      8.318 ppm2      4.132 CV     1
 ASSI {  569}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      2.800     1.000     1.000 peak   569 spectrum    1 weight  0.11000E+01 volume  0.33648E-02 ppm1      8.318 ppm2      3.750 CV     1
 ASSI {  571}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      3.700     1.700     1.700 peak   571 spectrum    1 weight  0.11000E+01 volume  0.55212E-03 ppm1      7.826 ppm2      8.318 CV     1
 ASSI {  572}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.900     1.000     1.000 peak   572 spectrum    1 weight  0.11000E+01 volume  0.31867E-02 ppm1      8.318 ppm2      4.495 CV     1
 ASSI {  573}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      3.700     1.700     1.700 peak   573 spectrum    1 weight  0.11000E+01 volume  0.74849E-03 ppm1      8.318 ppm2      3.890 CV     1
 ASSI {  574}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      3.000     1.200     1.200 peak   574 spectrum    1 weight  0.11000E+01 volume  0.22379E-02 ppm1      8.322 ppm2      3.746 CV     1
 ASSI {  575}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      3.200     1.300     1.300 peak   575 spectrum    1 weight  0.11000E+01 volume  0.25078E-02 ppm1      8.322 ppm2      4.134 CV     1
 ASSI {  578}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      3.200     3.200     2.800 peak   578 spectrum    1 weight  0.11000E+01 volume  0.63058E-03 ppm1      7.329 ppm2      4.135 CV     1
 ASSI {  579}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      3.600     1.600     1.600 peak   579 spectrum    1 weight  0.11000E+01 volume  0.22509E-02 ppm1      7.331 ppm2      2.716 CV     1
 OR {  579}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI {  581}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      3.000     1.200     1.200 peak   581 spectrum    1 weight  0.11000E+01 volume  0.30901E-02 ppm1      7.331 ppm2      8.323 CV     1
 ASSI {  582}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.500     0.800     0.800 peak   582 spectrum    1 weight  0.11000E+01 volume  0.54996E-02 ppm1      8.444 ppm2      4.814 CV     1
 ASSI {  584}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.11000E+01 volume  0.13160E-02 ppm1      8.443 ppm2      9.323 CV     1
 ASSI {  586}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.11000E+01 volume  0.16723E-02 ppm1      7.331 ppm2      8.451 CV     1
 ASSI {  588}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.600     0.800     0.800 peak   588 spectrum    1 weight  0.11000E+01 volume  0.31427E-02 ppm1      8.367 ppm2      4.429 CV     1
 ASSI {  590}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.900     1.900     1.900 peak   590 spectrum    1 weight  0.11000E+01 volume  0.77267E-03 ppm1      7.330 ppm2      4.432 CV     1
 ASSI {  591}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.500     1.600     1.600 peak   591 spectrum    1 weight  0.11000E+01 volume  0.16504E-02 ppm1      8.368 ppm2      5.448 CV     1
 ASSI {  592}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.400     1.400     1.400 peak   592 spectrum    1 weight  0.11000E+01 volume  0.15003E-02 ppm1      8.368 ppm2      8.035 CV     1
 ASSI {  601}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.100     0.500     0.500 peak   601 spectrum    1 weight  0.11000E+01 volume  0.10655E-01 ppm1      8.367 ppm2      5.155 CV     1
 ASSI {  607}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      2.800     1.000     1.000 peak   607 spectrum    1 weight  0.11000E+01 volume  0.49889E-02 ppm1      9.120 ppm2      0.460 CV     1
 ASSI {  609}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.500     2.500     1.500 peak   609 spectrum    1 weight  0.11000E+01 volume  0.88423E-03 ppm1      9.262 ppm2      2.925 CV     1
 ASSI {  610}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      4.200     2.200     1.800 peak   610 spectrum    1 weight  0.11000E+01 volume  0.83783E-03 ppm1      9.261 ppm2      3.413 CV     1
 ASSI {  615}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.400     1.500     1.500 peak   615 spectrum    1 weight  0.11000E+01 volume  0.99044E-03 ppm1      7.825 ppm2      4.125 CV     1
 ASSI {  616}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.400     1.500     1.500 peak   616 spectrum    1 weight  0.11000E+01 volume  0.78540E-03 ppm1      7.722 ppm2      2.028 CV     1
 OR {  616}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  617}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      4.700     2.800     1.300 peak   617 spectrum    1 weight  0.11000E+01 volume  0.47260E-03 ppm1      7.722 ppm2      2.353 CV     1
 ASSI {  618}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
      4.500     2.600     1.500 peak   618 spectrum    1 weight  0.11000E+01 volume  0.56411E-03 ppm1      7.722 ppm2      2.201 CV     1
 ASSI {  619}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.500     1.500     1.500 peak   619 spectrum    1 weight  0.11000E+01 volume  0.47581E-03 ppm1      7.779 ppm2      1.663 CV     1
 ASSI {  620}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.400     1.400     1.400 peak   620 spectrum    1 weight  0.11000E+01 volume  0.31432E-02 ppm1      7.779 ppm2      1.227 CV     1
 ASSI {  621}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      3.000     1.100     1.100 peak   621 spectrum    1 weight  0.11000E+01 volume  0.35057E-02 ppm1      7.779 ppm2      1.315 CV     1
 ASSI {  622}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.11000E+01 volume  0.33953E-02 ppm1      7.970 ppm2      7.724 CV     1
 ASSI {  624}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak   624 spectrum    1 weight  0.11000E+01 volume  0.11946E-02 ppm1      7.970 ppm2      4.005 CV     1
 ASSI {  625}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.600     0.900     0.900 peak   625 spectrum    1 weight  0.11000E+01 volume  0.39526E-02 ppm1      7.970 ppm2      2.028 CV     1
 OR {  625}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  626}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
      4.000     2.000     2.000 peak   626 spectrum    1 weight  0.11000E+01 volume  0.69602E-03 ppm1      7.970 ppm2      2.201 CV     1
 ASSI {  627}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      4.700     2.700     1.300 peak   627 spectrum    1 weight  0.11000E+01 volume  0.41660E-03 ppm1      7.970 ppm2      2.353 CV     1
 ASSI {  628}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.700     1.700     1.700 peak   628 spectrum    1 weight  0.11000E+01 volume  0.78420E-03 ppm1      8.310 ppm2      4.005 CV     1
 ASSI {  629}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   629 spectrum    1 weight  0.11000E+01 volume  0.50008E-02 ppm1      8.510 ppm2      3.474 CV     1
 ASSI {  630}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.300     0.600     0.600 peak   630 spectrum    1 weight  0.11000E+01 volume  0.10263E-01 ppm1      8.511 ppm2      1.489 CV     1
 OR {  630}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  631}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.700     1.700     1.700 peak   631 spectrum    1 weight  0.11000E+01 volume  0.87489E-03 ppm1      7.586 ppm2      3.474 CV     1
 ASSI {  632}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.900     1.000     1.000 peak   632 spectrum    1 weight  0.11000E+01 volume  0.27551E-02 ppm1      8.310 ppm2      3.478 CV     1
 ASSI {  633}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600     0.900     0.900 peak   633 spectrum    1 weight  0.11000E+01 volume  0.60682E-02 ppm1      7.722 ppm2      1.488 CV     1
 OR {  633}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  634}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   634 spectrum    1 weight  0.11000E+01 volume  0.18115E-02 ppm1      7.723 ppm2      3.471 CV     1
 ASSI {  635}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   635 spectrum    1 weight  0.11000E+01 volume  0.39641E-02 ppm1      8.511 ppm2      7.725 CV     1
 ASSI {  637}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   637 spectrum    1 weight  0.11000E+01 volume  0.41362E-02 ppm1      8.215 ppm2      4.077 CV     1
 ASSI {  638}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.700     0.900     0.900 peak   638 spectrum    1 weight  0.11000E+01 volume  0.32765E-02 ppm1      8.216 ppm2      3.300 CV     1
 OR {  638}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  641}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.100     1.100 peak   641 spectrum    1 weight  0.11000E+01 volume  0.27332E-02 ppm1      7.722 ppm2      4.077 CV     1
 ASSI {  642}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.800     1.800 peak   642 spectrum    1 weight  0.11000E+01 volume  0.57241E-03 ppm1      7.970 ppm2      4.078 CV     1
 ASSI {  643}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   643 spectrum    1 weight  0.11000E+01 volume  0.28233E-02 ppm1      8.511 ppm2      4.070 CV     1
 ASSI {  645}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     1.000     1.000 peak   645 spectrum    1 weight  0.11000E+01 volume  0.34028E-02 ppm1      8.511 ppm2      3.300 CV     1
 OR {  645}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  646}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.900     1.100     1.100 peak   646 spectrum    1 weight  0.11000E+01 volume  0.67199E-02 ppm1      6.544 ppm2      1.768 CV     1
 ASSI {  647}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.800     1.000     1.000 peak   647 spectrum    1 weight  0.11000E+01 volume  0.21560E-02 ppm1      6.544 ppm2      1.641 CV     1
 ASSI {  648}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
      2.400     0.700     0.700 peak   648 spectrum    1 weight  0.11000E+01 volume  0.71351E-02 ppm1      6.544 ppm2      1.380 CV     1
 OR {  648}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG1 ))
 ASSI {  649}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   649 spectrum    1 weight  0.11000E+01 volume  0.44058E-02 ppm1      6.544 ppm2      8.213 CV     1
 ASSI {  651}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.500     1.500     1.500 peak   651 spectrum    1 weight  0.11000E+01 volume  0.19248E-02 ppm1      8.216 ppm2      1.770 CV     1
 ASSI {  652}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.000     1.200     1.200 peak   652 spectrum    1 weight  0.11000E+01 volume  0.12309E-02 ppm1      8.216 ppm2      1.641 CV     1
 ASSI {  653}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.800     1.000     1.000 peak   653 spectrum    1 weight  0.11000E+01 volume  0.56346E-02 ppm1      8.909 ppm2      3.440 CV     1
 ASSI {  654}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      2.300     0.700     0.700 peak   654 spectrum    1 weight  0.11000E+01 volume  0.72493E-02 ppm1      8.909 ppm2      4.048 CV     1
 ASSI {  658}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      3.900     1.900     1.900 peak   658 spectrum    1 weight  0.11000E+01 volume  0.81342E-03 ppm1      8.217 ppm2      3.442 CV     1
 ASSI {  659}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.700     0.900     0.900 peak   659 spectrum    1 weight  0.11000E+01 volume  0.24107E-02 ppm1      8.692 ppm2      3.073 CV     1
 ASSI {  660}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.800     1.000     1.000 peak   660 spectrum    1 weight  0.11000E+01 volume  0.29168E-02 ppm1      8.691 ppm2      3.400 CV     1
 ASSI {  661}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak   661 spectrum    1 weight  0.11000E+01 volume  0.36723E-02 ppm1      8.692 ppm2      4.304 CV     1
 ASSI {  663}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.700     1.700     1.700 peak   663 spectrum    1 weight  0.11000E+01 volume  0.17878E-02 ppm1      8.909 ppm2      3.069 CV     1
 ASSI {  664}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   664 spectrum    1 weight  0.11000E+01 volume  0.13388E-02 ppm1      6.544 ppm2      4.305 CV     1
 ASSI {  665}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak   665 spectrum    1 weight  0.11000E+01 volume  0.60702E-03 ppm1      8.511 ppm2      4.304 CV     1
 ASSI {  668}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak   668 spectrum    1 weight  0.11000E+01 volume  0.22267E-02 ppm1      8.692 ppm2      2.388 CV     1
 OR {  668}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  671}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   671 spectrum    1 weight  0.11000E+01 volume  0.27921E-02 ppm1      7.584 ppm2      8.693 CV     1
 ASSI {  673}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      2.900     1.000     1.000 peak   673 spectrum    1 weight  0.11000E+01 volume  0.58436E-02 ppm1      8.577 ppm2      2.192 CV     1
 ASSI {  674}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.700     0.900     0.900 peak   674 spectrum    1 weight  0.11000E+01 volume  0.23152E-02 ppm1      8.577 ppm2      2.109 CV     1
 ASSI {  675}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   675 spectrum    1 weight  0.11000E+01 volume  0.18893E-02 ppm1      7.585 ppm2      3.960 CV     1
 ASSI {  676}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   676 spectrum    1 weight  0.11000E+01 volume  0.46760E-02 ppm1      7.584 ppm2      8.576 CV     1
 ASSI {  678}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak   678 spectrum    1 weight  0.11000E+01 volume  0.21095E-02 ppm1      7.584 ppm2      8.908 CV     1
 ASSI {  680}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.100     1.200     1.200 peak   680 spectrum    1 weight  0.11000E+01 volume  0.23317E-02 ppm1      7.826 ppm2      1.481 CV     1
 ASSI {  681}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HG  ))
      3.600     1.600     1.600 peak   681 spectrum    1 weight  0.11000E+01 volume  0.97371E-03 ppm1      7.826 ppm2      1.655 CV     1
 ASSI {  682}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.200     1.300     1.300 peak   682 spectrum    1 weight  0.11000E+01 volume  0.17330E-02 ppm1      7.826 ppm2      1.743 CV     1
 ASSI {  684}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.500     1.600     1.600 peak   684 spectrum    1 weight  0.11000E+01 volume  0.14773E-02 ppm1      9.024 ppm2      0.683 CV     1
 ASSI {  687}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   687 spectrum    1 weight  0.11000E+01 volume  0.92860E-03 ppm1      9.024 ppm2      8.346 CV     1
 ASSI {  693}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 122  and name HG1%)
      3.700     1.700     1.700 peak   693 spectrum    1 weight  0.11000E+01 volume  0.89515E-03 ppm1      8.497 ppm2      1.076 CV     1
 OR {  693}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
 ASSI {  695}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   695 spectrum    1 weight  0.11000E+01 volume  0.54431E-02 ppm1      7.569 ppm2      9.670 CV     1
 ASSI {  697}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.800     1.800     1.800 peak   697 spectrum    1 weight  0.11000E+01 volume  0.21821E-02 ppm1      7.571 ppm2      3.986 CV     1
 ASSI {  698}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak   698 spectrum    1 weight  0.11000E+01 volume  0.70632E-02 ppm1      8.571 ppm2      4.552 CV     1
 ASSI {  699}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.600     1.700     1.700 peak   699 spectrum    1 weight  0.11000E+01 volume  0.10686E-02 ppm1      8.570 ppm2      1.763 CV     1
 ASSI {  700}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.500     1.500     1.500 peak   700 spectrum    1 weight  0.11000E+01 volume  0.18135E-02 ppm1      8.570 ppm2      2.241 CV     1
 ASSI {  701}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      4.200     2.200     1.800 peak   701 spectrum    1 weight  0.11000E+01 volume  0.84709E-03 ppm1      8.570 ppm2      2.350 CV     1
 ASSI {  703}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak   703 spectrum    1 weight  0.11000E+01 volume  0.58148E-03 ppm1      7.567 ppm2      8.572 CV     1
 ASSI {  705}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak   705 spectrum    1 weight  0.11000E+01 volume  0.13299E-02 ppm1      8.010 ppm2      3.707 CV     1
 ASSI {  706}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.600     2.600     1.400 peak   706 spectrum    1 weight  0.11000E+01 volume  0.69823E-03 ppm1      8.013 ppm2      2.476 CV     1
 ASSI {  707}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.500     1.500     1.500 peak   707 spectrum    1 weight  0.11000E+01 volume  0.48403E-03 ppm1      8.012 ppm2      3.046 CV     1
 ASSI {  708}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak   708 spectrum    1 weight  0.11000E+01 volume  0.54307E-02 ppm1      8.013 ppm2      4.776 CV     1
 ASSI {  710}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak   710 spectrum    1 weight  0.11000E+01 volume  0.10986E-02 ppm1      8.013 ppm2      8.570 CV     1
 ASSI {  711}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     0.900     0.900 peak   711 spectrum    1 weight  0.11000E+01 volume  0.37703E-02 ppm1      8.569 ppm2      4.156 CV     1
 ASSI {  713}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     0.700     0.700 peak   713 spectrum    1 weight  0.11000E+01 volume  0.10166E-01 ppm1      8.570 ppm2      4.942 CV     1
 ASSI {  714}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.600     0.900     0.900 peak   714 spectrum    1 weight  0.11000E+01 volume  0.43699E-02 ppm1      8.568 ppm2      3.702 CV     1
 ASSI {  715}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   715 spectrum    1 weight  0.11000E+01 volume  0.51950E-02 ppm1      8.519 ppm2      2.658 CV     1
 ASSI {  716}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak   716 spectrum    1 weight  0.11000E+01 volume  0.62357E-02 ppm1      8.519 ppm2      2.765 CV     1
 ASSI {  718}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      2.400     0.700     0.700 peak   718 spectrum    1 weight  0.11000E+01 volume  0.77757E-02 ppm1      8.220 ppm2      1.285 CV     1
 ASSI {  719}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.900     0.900 peak   719 spectrum    1 weight  0.11000E+01 volume  0.48961E-02 ppm1      8.220 ppm2      4.141 CV     1
 ASSI {  726}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak   726 spectrum    1 weight  0.11000E+01 volume  0.25668E-02 ppm1      7.893 ppm2      4.354 CV     1
 ASSI {  727}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.900     1.000     1.000 peak   727 spectrum    1 weight  0.11000E+01 volume  0.24700E-02 ppm1      7.893 ppm2      1.510 CV     1
 OR {  727}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  729}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   729 spectrum    1 weight  0.11000E+01 volume  0.40007E-02 ppm1      8.286 ppm2      4.551 CV     1
 ASSI {  730}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   730 spectrum    1 weight  0.11000E+01 volume  0.31833E-02 ppm1      8.286 ppm2      2.759 CV     1
 ASSI {  731}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.600     0.900     0.900 peak   731 spectrum    1 weight  0.11000E+01 volume  0.56211E-02 ppm1      8.286 ppm2      2.862 CV     1
 ASSI {  733}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA2 ))
      3.100     1.200     1.200 peak   733 spectrum    1 weight  0.11000E+01 volume  0.28911E-02 ppm1      7.755 ppm2      4.089 CV     1
 ASSI {  734}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA1 ))
      2.700     0.900     0.900 peak   734 spectrum    1 weight  0.11000E+01 volume  0.29304E-02 ppm1      7.756 ppm2      4.349 CV     1
 ASSI {  738}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.000     1.000 peak   738 spectrum    1 weight  0.11000E+01 volume  0.24779E-02 ppm1      8.284 ppm2      7.757 CV     1
 ASSI {  739}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.900     1.900     1.900 peak   739 spectrum    1 weight  0.11000E+01 volume  0.81026E-03 ppm1      8.219 ppm2      4.945 CV     1
 ASSI {  740}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.600     1.600 peak   740 spectrum    1 weight  0.11000E+01 volume  0.97161E-03 ppm1      7.755 ppm2      4.139 CV     1
 ASSI {  741}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.600     1.600 peak   741 spectrum    1 weight  0.11000E+01 volume  0.12547E-02 ppm1      7.894 ppm2      4.140 CV     1
 ASSI {  742}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA1 ))
      3.200     1.300     1.300 peak   742 spectrum    1 weight  0.11000E+01 volume  0.16143E-02 ppm1      8.287 ppm2      4.347 CV     1
 ASSI {  743}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA2 ))
      3.100     1.200     1.200 peak   743 spectrum    1 weight  0.11000E+01 volume  0.26234E-02 ppm1      8.287 ppm2      4.091 CV     1
 ASSI {  744}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   744 spectrum    1 weight  0.11000E+01 volume  0.30432E-02 ppm1      8.289 ppm2      4.138 CV     1
 ASSI {  745}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.000     1.100     1.100 peak   745 spectrum    1 weight  0.11000E+01 volume  0.20329E-02 ppm1      7.892 ppm2      1.285 CV     1
 ASSI {  746}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.500     1.600     1.600 peak   746 spectrum    1 weight  0.11000E+01 volume  0.19582E-02 ppm1      7.893 ppm2      1.881 CV     1
 OR {  746}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  747}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.200     1.300     1.300 peak   747 spectrum    1 weight  0.11000E+01 volume  0.14883E-02 ppm1      7.756 ppm2      1.510 CV     1
 OR {  747}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  748}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      4.100     2.100     1.900 peak   748 spectrum    1 weight  0.11000E+01 volume  0.67471E-03 ppm1      7.756 ppm2      1.881 CV     1
 OR {  748}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  749}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   749 spectrum    1 weight  0.11000E+01 volume  0.15752E-02 ppm1      7.690 ppm2      3.836 CV     1
 ASSI {  750}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.500     0.800     0.800 peak   750 spectrum    1 weight  0.11000E+01 volume  0.51064E-02 ppm1      7.688 ppm2      2.130 CV     1
 ASSI {  751}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG12))
      2.800     1.000     1.000 peak   751 spectrum    1 weight  0.11000E+01 volume  0.22287E-02 ppm1      7.688 ppm2      0.814 CV     1
 ASSI {  752}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.300     1.300     1.300 peak   752 spectrum    1 weight  0.11000E+01 volume  0.11666E-02 ppm1      7.687 ppm2      2.860 CV     1
 ASSI {  753}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.000     2.000     2.000 peak   753 spectrum    1 weight  0.11000E+01 volume  0.91172E-03 ppm1      7.687 ppm2      2.759 CV     1
 ASSI {  754}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.500     1.500 peak   754 spectrum    1 weight  0.11000E+01 volume  0.11050E-02 ppm1      7.690 ppm2      4.552 CV     1
 ASSI {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak   755 spectrum    1 weight  0.11000E+01 volume  0.10779E-02 ppm1      7.691 ppm2      4.354 CV     1
 ASSI {  760}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      3.200     1.300     1.300 peak   760 spectrum    1 weight  0.11000E+01 volume  0.16723E-02 ppm1      8.102 ppm2      4.546 CV     1
 ASSI {  761}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.000     1.100     1.100 peak   761 spectrum    1 weight  0.11000E+01 volume  0.25880E-02 ppm1      8.102 ppm2      0.994 CV     1
 ASSI {  762}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      2.800     1.000     1.000 peak   762 spectrum    1 weight  0.11000E+01 volume  0.34355E-02 ppm1      8.827 ppm2      3.930 CV     1
 ASSI {  763}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.100     1.200     1.200 peak   763 spectrum    1 weight  0.11000E+01 volume  0.23253E-02 ppm1      8.827 ppm2      4.214 CV     1
 ASSI {  768}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   768 spectrum    1 weight  0.11000E+01 volume  0.19495E-02 ppm1      8.828 ppm2      7.580 CV     1
 ASSI {  769}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   769 spectrum    1 weight  0.11000E+01 volume  0.14051E-02 ppm1      8.102 ppm2      4.332 CV     1
 ASSI {  770}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG12))
      4.100     2.100     1.900 peak   770 spectrum    1 weight  0.11000E+01 volume  0.87173E-03 ppm1      8.101 ppm2      0.815 CV     1
 ASSI {  771}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.900     1.000     1.000 peak   771 spectrum    1 weight  0.11000E+01 volume  0.19558E-02 ppm1      8.102 ppm2      2.127 CV     1
 ASSI {  772}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      3.600     1.600     1.600 peak   772 spectrum    1 weight  0.11000E+01 volume  0.81019E-03 ppm1      8.827 ppm2      4.546 CV     1
 ASSI {  773}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak   773 spectrum    1 weight  0.11000E+01 volume  0.13482E-02 ppm1      8.827 ppm2      4.333 CV     1
 ASSI {  774}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak   774 spectrum    1 weight  0.11000E+01 volume  0.54071E-03 ppm1      8.102 ppm2      3.836 CV     1
 ASSI {  775}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      4.300     2.300     1.700 peak   775 spectrum    1 weight  0.11000E+01 volume  0.35213E-03 ppm1      8.827 ppm2      0.994 CV     1
 ASSI {  776}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak   776 spectrum    1 weight  0.11000E+01 volume  0.24886E-02 ppm1      7.579 ppm2      2.346 CV     1
 ASSI {  777}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.200     1.200 peak   777 spectrum    1 weight  0.11000E+01 volume  0.11103E-02 ppm1      7.579 ppm2      1.545 CV     1
 ASSI {  779}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.400     2.400     1.600 peak   779 spectrum    1 weight  0.11000E+01 volume  0.50527E-03 ppm1      7.577 ppm2      8.518 CV     1
 ASSI {  781}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.400     1.400     1.400 peak   781 spectrum    1 weight  0.11000E+01 volume  0.11182E-02 ppm1      7.580 ppm2      3.928 CV     1
 ASSI {  782}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.700     1.700     1.700 peak   782 spectrum    1 weight  0.11000E+01 volume  0.81983E-03 ppm1      7.578 ppm2      4.216 CV     1
 ASSI {  783}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.200     0.600     0.600 peak   783 spectrum    1 weight  0.11000E+01 volume  0.10767E-01 ppm1      8.519 ppm2      4.311 CV     1
 ASSI {  786}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   786 spectrum    1 weight  0.11000E+01 volume  0.36812E-02 ppm1      9.608 ppm2      2.515 CV     1
 ASSI {  787}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.100     1.100 peak   787 spectrum    1 weight  0.11000E+01 volume  0.20493E-02 ppm1      9.609 ppm2      4.803 CV     1
 ASSI {  789}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.100     1.100 peak   789 spectrum    1 weight  0.11000E+01 volume  0.18349E-02 ppm1      7.899 ppm2      4.475 CV     1
 ASSI {  790}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      2.500     0.800     0.800 peak   790 spectrum    1 weight  0.11000E+01 volume  0.53065E-02 ppm1      6.984 ppm2      1.584 CV     1
 ASSI {  791}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      2.600     0.800     0.800 peak   791 spectrum    1 weight  0.11000E+01 volume  0.67793E-02 ppm1      6.985 ppm2      0.779 CV     1
 OR {  791}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG1%)
 ASSI {  793}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   793 spectrum    1 weight  0.11000E+01 volume  0.47688E-02 ppm1      6.985 ppm2      2.846 CV     1
 OR {  793}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {  794}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak   794 spectrum    1 weight  0.11000E+01 volume  0.14890E-02 ppm1      6.986 ppm2      4.744 CV     1
 ASSI {  799}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   799 spectrum    1 weight  0.11000E+01 volume  0.57072E-02 ppm1      7.343 ppm2      7.872 CV     1
 ASSI {  800}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak   800 spectrum    1 weight  0.11000E+01 volume  0.11061E-02 ppm1      7.898 ppm2      7.348 CV     1
 ASSI {  801}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.200     2.200     1.800 peak   801 spectrum    1 weight  0.11000E+01 volume  0.42652E-03 ppm1      7.900 ppm2      4.746 CV     1
 ASSI {  802}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.11000E+01 volume  0.17138E-02 ppm1      7.901 ppm2      3.680 CV     1
 ASSI {  803}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG1%)
      3.200     1.300     1.300 peak   803 spectrum    1 weight  0.11000E+01 volume  0.42220E-02 ppm1      7.901 ppm2      0.780 CV     1
 OR {  803}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI {  804}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      2.900     1.100     1.100 peak   804 spectrum    1 weight  0.11000E+01 volume  0.42220E-02 ppm1      7.900 ppm2      1.584 CV     1
 ASSI {  805}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      2.600     0.800     0.800 peak   805 spectrum    1 weight  0.11000E+01 volume  0.36237E-02 ppm1      9.086 ppm2      3.659 CV     1
 ASSI {  806}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      3.000     1.100     1.100 peak   806 spectrum    1 weight  0.11000E+01 volume  0.30237E-02 ppm1      9.086 ppm2      4.327 CV     1
 ASSI {  807}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak   807 spectrum    1 weight  0.11000E+01 volume  0.36292E-02 ppm1      7.778 ppm2      9.086 CV     1
 ASSI {  809}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   809 spectrum    1 weight  0.11000E+01 volume  0.90306E-03 ppm1      7.781 ppm2      9.609 CV     1
 ASSI {  811}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HB2 ))
      3.000     1.100     1.100 peak   811 spectrum    1 weight  0.11000E+01 volume  0.96204E-03 ppm1      7.271 ppm2      2.509 CV     1
 ASSI {  812}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HB1 ))
      3.600     1.600     1.600 peak   812 spectrum    1 weight  0.11000E+01 volume  0.20602E-02 ppm1      7.269 ppm2      2.700 CV     1
 ASSI {  814}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 61   and name HB2 ))
      4.600     2.600     1.400 peak   814 spectrum    1 weight  0.11000E+01 volume  0.68682E-03 ppm1      6.928 ppm2      2.509 CV     1
 ASSI {  815}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.600     0.800     0.800 peak   815 spectrum    1 weight  0.11000E+01 volume  0.43346E-02 ppm1      9.609 ppm2      2.701 CV     1
 ASSI {  816}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD22))
      5.000     3.100     1.000 peak   816 spectrum    1 weight  0.11000E+01 volume  0.69086E-03 ppm1      9.608 ppm2      6.928 CV     1
 ASSI {  817}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD21))
      4.400     2.400     1.600 peak   817 spectrum    1 weight  0.11000E+01 volume  0.84973E-03 ppm1      9.608 ppm2      7.267 CV     1
 ASSI {  821}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.900     3.000     1.100 peak   821 spectrum    1 weight  0.11000E+01 volume  0.44807E-03 ppm1      9.382 ppm2      2.520 CV     1
 ASSI {  822}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.900     1.900     1.900 peak   822 spectrum    1 weight  0.11000E+01 volume  0.11046E-02 ppm1      9.382 ppm2      2.703 CV     1
 ASSI {  823}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   823 spectrum    1 weight  0.11000E+01 volume  0.39785E-02 ppm1      9.382 ppm2      4.805 CV     1
 ASSI {  824}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.300     1.300 peak   824 spectrum    1 weight  0.11000E+01 volume  0.24440E-02 ppm1      8.697 ppm2      4.804 CV     1
 ASSI {  827}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak   827 spectrum    1 weight  0.11000E+01 volume  0.34955E-03 ppm1      9.383 ppm2      9.609 CV     1
 ASSI {  832}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.300     1.300 peak   832 spectrum    1 weight  0.11000E+01 volume  0.11115E-02 ppm1      7.777 ppm2      8.698 CV     1
 ASSI {  834}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      2.700     0.900     0.900 peak   834 spectrum    1 weight  0.11000E+01 volume  0.62225E-02 ppm1      6.943 ppm2      1.752 CV     1
 ASSI {  835}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.100     1.100 peak   835 spectrum    1 weight  0.11000E+01 volume  0.21900E-02 ppm1      6.944 ppm2      3.392 CV     1
 ASSI {  836}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.700     0.700 peak   836 spectrum    1 weight  0.11000E+01 volume  0.62138E-02 ppm1      9.086 ppm2      3.391 CV     1
 ASSI {  837}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.500     1.500 peak   837 spectrum    1 weight  0.11000E+01 volume  0.52321E-03 ppm1      6.943 ppm2      9.086 CV     1
 ASSI {  841}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      2.900     1.100     1.100 peak   841 spectrum    1 weight  0.11000E+01 volume  0.29694E-02 ppm1      7.968 ppm2      2.470 CV     1
 ASSI {  842}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak   842 spectrum    1 weight  0.11000E+01 volume  0.58397E-02 ppm1      7.969 ppm2      2.078 CV     1
 OR {  842}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI {  843}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      4.400     2.400     1.600 peak   843 spectrum    1 weight  0.11000E+01 volume  0.42989E-03 ppm1      6.984 ppm2      2.470 CV     1
 ASSI {  844}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.800     1.800     1.800 peak   844 spectrum    1 weight  0.11000E+01 volume  0.11073E-02 ppm1      6.984 ppm2      2.296 CV     1
 ASSI {  845}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   845 spectrum    1 weight  0.11000E+01 volume  0.10420E-02 ppm1      6.984 ppm2      2.075 CV     1
 OR {  845}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI {  846}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.300     1.300 peak   846 spectrum    1 weight  0.11000E+01 volume  0.12392E-02 ppm1      6.984 ppm2      4.272 CV     1
 ASSI {  849}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.900     1.900     1.900 peak   849 spectrum    1 weight  0.11000E+01 volume  0.94238E-03 ppm1      6.984 ppm2      1.880 CV     1
 ASSI {  850}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.600     1.600     1.600 peak   850 spectrum    1 weight  0.11000E+01 volume  0.11424E-02 ppm1      6.944 ppm2      1.883 CV     1
 ASSI {  851}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      3.000     1.100     1.100 peak   851 spectrum    1 weight  0.11000E+01 volume  0.25920E-02 ppm1      6.984 ppm2      0.568 CV     1
 ASSI {  852}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      2.500     0.800     0.800 peak   852 spectrum    1 weight  0.11000E+01 volume  0.40308E-02 ppm1      6.984 ppm2     -0.060 CV     1
 ASSI {  853}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      4.700     2.800     1.300 peak   853 spectrum    1 weight  0.11000E+01 volume  0.52142E-03 ppm1      6.945 ppm2      0.570 CV     1
 ASSI {  855}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak   855 spectrum    1 weight  0.11000E+01 volume  0.11262E-02 ppm1      6.943 ppm2      4.135 CV     1
 ASSI {  856}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   856 spectrum    1 weight  0.11000E+01 volume  0.25273E-02 ppm1      8.048 ppm2      4.039 CV     1
 ASSI {  858}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak   858 spectrum    1 weight  0.11000E+01 volume  0.38061E-02 ppm1      8.049 ppm2      1.530 CV     1
 OR {  858}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  859}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.600     0.800     0.800 peak   859 spectrum    1 weight  0.11000E+01 volume  0.51689E-02 ppm1      8.049 ppm2      1.881 CV     1
 OR {  859}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  860}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak   860 spectrum    1 weight  0.11000E+01 volume  0.77147E-03 ppm1      8.049 ppm2      4.915 CV     1
 ASSI {  861}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.600     1.700     1.700 peak   861 spectrum    1 weight  0.11000E+01 volume  0.52658E-03 ppm1      8.049 ppm2      2.774 CV     1
 ASSI {  862}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak   862 spectrum    1 weight  0.11000E+01 volume  0.17691E-02 ppm1      7.966 ppm2      4.037 CV     1
 ASSI {  865}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak   865 spectrum    1 weight  0.11000E+01 volume  0.67379E-03 ppm1      8.049 ppm2      6.986 CV     1
 ASSI {  867}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   867 spectrum    1 weight  0.11000E+01 volume  0.18216E-02 ppm1      8.323 ppm2      8.492 CV     1
 ASSI {  870}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak   870 spectrum    1 weight  0.11000E+01 volume  0.66821E-02 ppm1      7.565 ppm2      8.328 CV     1
 ASSI {  871}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   871 spectrum    1 weight  0.11000E+01 volume  0.23853E-02 ppm1      8.488 ppm2      4.890 CV     1
 ASSI {  872}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.300     1.400     1.400 peak   872 spectrum    1 weight  0.11000E+01 volume  0.15423E-02 ppm1      7.566 ppm2      4.884 CV     1
 ASSI {  873}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak   873 spectrum    1 weight  0.11000E+01 volume  0.14547E-02 ppm1      7.566 ppm2      4.199 CV     1
 ASSI {  874}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.700     0.900     0.900 peak   874 spectrum    1 weight  0.11000E+01 volume  0.38586E-02 ppm1      8.323 ppm2      0.596 CV     1
 ASSI {  875}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.700     1.700     1.700 peak   875 spectrum    1 weight  0.11000E+01 volume  0.11006E-02 ppm1      7.565 ppm2      0.597 CV     1
 ASSI {  877}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   877 spectrum    1 weight  0.11000E+01 volume  0.32981E-02 ppm1      8.364 ppm2      5.168 CV     1
 ASSI {  878}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak   878 spectrum    1 weight  0.11000E+01 volume  0.11525E-02 ppm1      8.364 ppm2      3.906 CV     1
 ASSI {  879}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.300     1.300     1.300 peak   879 spectrum    1 weight  0.11000E+01 volume  0.11820E-02 ppm1      8.364 ppm2      4.037 CV     1
 ASSI {  880}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.600     0.600 peak   880 spectrum    1 weight  0.11000E+01 volume  0.65866E-02 ppm1      8.364 ppm2      4.697 CV     1
 ASSI {  881}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.200     2.200     1.800 peak   881 spectrum    1 weight  0.11000E+01 volume  0.65024E-03 ppm1      8.363 ppm2      2.532 CV     1
 ASSI {  882}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.400     1.400 peak   882 spectrum    1 weight  0.11000E+01 volume  0.26382E-02 ppm1      8.364 ppm2      3.128 CV     1
 ASSI {  883}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak   883 spectrum    1 weight  0.11000E+01 volume  0.98238E-03 ppm1      6.256 ppm2      3.359 CV     1
 ASSI {  884}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.000     1.200     1.200 peak   884 spectrum    1 weight  0.11000E+01 volume  0.21607E-02 ppm1      6.257 ppm2      2.068 CV     1
 OR {  884}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  885}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.400     1.400 peak   885 spectrum    1 weight  0.11000E+01 volume  0.10688E-02 ppm1      7.873 ppm2      4.172 CV     1
 ASSI {  893}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.100     1.200     1.200 peak   893 spectrum    1 weight  0.11000E+01 volume  0.23888E-02 ppm1      7.871 ppm2      2.069 CV     1
 OR {  893}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  894}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak   894 spectrum    1 weight  0.11000E+01 volume  0.44498E-03 ppm1      7.873 ppm2      3.370 CV     1
 ASSI {  895}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.000     1.100     1.100 peak   895 spectrum    1 weight  0.11000E+01 volume  0.25993E-02 ppm1      7.871 ppm2      1.722 CV     1
 ASSI {  896}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak   896 spectrum    1 weight  0.11000E+01 volume  0.41186E-02 ppm1      7.871 ppm2      1.389 CV     1
 ASSI {  897}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.300     1.300 peak   897 spectrum    1 weight  0.11000E+01 volume  0.17841E-02 ppm1      7.343 ppm2      4.176 CV     1
 ASSI {  902}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HG1 ))
      3.200     1.300     1.300 peak   902 spectrum    1 weight  0.11000E+01 volume  0.11677E-02 ppm1      6.878 ppm2      1.057 CV     1
 OR {  902}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {  903}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HB2 ))
      3.100     1.200     1.200 peak   903 spectrum    1 weight  0.11000E+01 volume  0.18591E-02 ppm1      6.879 ppm2      1.622 CV     1
 ASSI {  904}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HB1 ))
      4.000     2.000     2.000 peak   904 spectrum    1 weight  0.11000E+01 volume  0.54369E-03 ppm1      6.879 ppm2      1.870 CV     1
 ASSI {  905}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HB1 ))
      4.600     2.600     1.400 peak   905 spectrum    1 weight  0.11000E+01 volume  0.45470E-03 ppm1      6.671 ppm2      1.870 CV     1
 ASSI {  906}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HB2 ))
      3.800     1.800     1.800 peak   906 spectrum    1 weight  0.11000E+01 volume  0.14678E-02 ppm1      6.672 ppm2      1.623 CV     1
 ASSI {  907}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HG1 ))
      4.100     2.100     1.900 peak   907 spectrum    1 weight  0.11000E+01 volume  0.91376E-03 ppm1      6.673 ppm2      1.058 CV     1
 OR {  907}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI {  908}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HE22))
      1.700     0.300     0.500 peak   908 spectrum    1 weight  0.11000E+01 volume  0.30775E-01 ppm1      6.879 ppm2      6.675 CV     1
 ASSI {  912}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HB2 ))
      4.700     2.700     1.300 peak   912 spectrum    1 weight  0.11000E+01 volume  0.24309E-03 ppm1      7.736 ppm2      2.080 CV     1
 OR {  912}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI {  913}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HG2 ))
      2.900     1.100     1.100 peak   913 spectrum    1 weight  0.11000E+01 volume  0.20142E-02 ppm1      7.736 ppm2      2.303 CV     1
 ASSI {  914}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HG1 ))
      2.800     1.000     1.000 peak   914 spectrum    1 weight  0.11000E+01 volume  0.23521E-02 ppm1      7.736 ppm2      2.471 CV     1
 ASSI {  915}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HG1 ))
      4.000     2.000     2.000 peak   915 spectrum    1 weight  0.11000E+01 volume  0.12655E-02 ppm1      6.886 ppm2      2.467 CV     1
 ASSI {  916}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HG2 ))
      4.200     2.200     1.800 peak   916 spectrum    1 weight  0.11000E+01 volume  0.94728E-03 ppm1      6.886 ppm2      2.302 CV     1
 ASSI {  918}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HE21))
      1.500     0.300     0.700 peak   918 spectrum    1 weight  0.11000E+01 volume  0.73532E-01 ppm1      6.886 ppm2      7.737 CV     1
 ASSI {  927}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HE21))
      2.000     0.500     0.500 peak   927 spectrum    1 weight  0.11000E+01 volume  0.86992E-02 ppm1      6.721 ppm2      7.122 CV     1
 ASSI {  928}
   (( segid "    " and resid 89   and name HD21))
   (( segid "    " and resid 89   and name HB2 ))
      2.900     1.100     1.100 peak   928 spectrum    1 weight  0.11000E+01 volume  0.20475E-02 ppm1      7.828 ppm2      3.061 CV     1
 ASSI {  929}
   (( segid "    " and resid 89   and name HD21))
   (( segid "    " and resid 89   and name HB1 ))
      2.900     1.000     1.000 peak   929 spectrum    1 weight  0.11000E+01 volume  0.20433E-02 ppm1      7.828 ppm2      3.265 CV     1
 ASSI {  932}
   (( segid "    " and resid 89   and name HD21))
   (( segid "    " and resid 89   and name HD22))
      1.900     0.400     0.400 peak   932 spectrum    1 weight  0.11000E+01 volume  0.16449E-01 ppm1      7.829 ppm2      7.197 CV     1
 ASSI {  936}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak   936 spectrum    1 weight  0.11000E+01 volume  0.61374E-02 ppm1      7.549 ppm2      2.732 CV     1
 OR {  936}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  937}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB1 ))
      3.500     1.500     1.500 peak   937 spectrum    1 weight  0.11000E+01 volume  0.23525E-02 ppm1      6.942 ppm2      2.734 CV     1
 OR {  937}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  938}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   938 spectrum    1 weight  0.11000E+01 volume  0.14223E-02 ppm1      7.549 ppm2      4.938 CV     1
 ASSI {  939}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HA  ))
      4.500     2.500     1.500 peak   939 spectrum    1 weight  0.11000E+01 volume  0.69038E-03 ppm1      6.941 ppm2      4.939 CV     1
 ASSI {  940}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HD22))
      1.500     0.300     0.700 peak   940 spectrum    1 weight  0.11000E+01 volume  0.64291E-01 ppm1      7.549 ppm2      6.944 CV     1
 ASSI {  944}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HD21))
      3.600     1.600     1.600 peak   944 spectrum    1 weight  0.11000E+01 volume  0.61146E-03 ppm1      8.137 ppm2      7.556 CV     1
 ASSI {  945}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HG1 ))
      3.600     1.600     1.600 peak   945 spectrum    1 weight  0.11000E+01 volume  0.24974E-02 ppm1      7.190 ppm2      2.499 CV     1
 ASSI {  946}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HG2 ))
      4.100     2.100     1.900 peak   946 spectrum    1 weight  0.11000E+01 volume  0.10160E-02 ppm1      7.191 ppm2      2.362 CV     1
 ASSI {  947}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HB1 ))
      4.500     2.500     1.500 peak   947 spectrum    1 weight  0.11000E+01 volume  0.50318E-03 ppm1      7.191 ppm2      2.233 CV     1
 ASSI {  948}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HB2 ))
      4.700     2.800     1.300 peak   948 spectrum    1 weight  0.11000E+01 volume  0.34195E-03 ppm1      7.191 ppm2      1.763 CV     1
 ASSI {  949}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HG1 ))
      2.500     0.800     0.800 peak   949 spectrum    1 weight  0.11000E+01 volume  0.45798E-02 ppm1      7.539 ppm2      2.498 CV     1
 ASSI {  950}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HG2 ))
      3.000     1.100     1.100 peak   950 spectrum    1 weight  0.11000E+01 volume  0.20219E-02 ppm1      7.537 ppm2      2.360 CV     1
 ASSI {  951}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HB1 ))
      4.400     2.400     1.600 peak   951 spectrum    1 weight  0.11000E+01 volume  0.40920E-03 ppm1      7.537 ppm2      2.238 CV     1
 ASSI {  952}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak   952 spectrum    1 weight  0.11000E+01 volume  0.73842E-03 ppm1      7.538 ppm2      1.761 CV     1
 ASSI {  953}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HE22))
      1.600     0.300     0.600 peak   953 spectrum    1 weight  0.11000E+01 volume  0.40950E-01 ppm1      7.538 ppm2      7.192 CV     1
 ASSI {  958}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   958 spectrum    1 weight  0.11000E+01 volume  0.29496E-02 ppm1      7.567 ppm2      8.347 CV     1
 ASSI {  960}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB2 ))
      4.100     2.100     1.900 peak   960 spectrum    1 weight  0.11000E+01 volume  0.11423E-02 ppm1      7.383 ppm2      2.146 CV     1
 ASSI {  962}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB1 ))
      4.900     3.100     1.100 peak   962 spectrum    1 weight  0.11000E+01 volume  0.40270E-03 ppm1      7.381 ppm2      2.886 CV     1
 ASSI {  963}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     1.400     1.400 peak   963 spectrum    1 weight  0.11000E+01 volume  0.13424E-02 ppm1      7.397 ppm2      3.256 CV     1
 OR {  963}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  964}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.900     1.100     1.100 peak   964 spectrum    1 weight  0.11000E+01 volume  0.29761E-02 ppm1      7.398 ppm2      1.292 CV     1
 ASSI {  965}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   965 spectrum    1 weight  0.11000E+01 volume  0.48460E-02 ppm1      7.398 ppm2      4.256 CV     1
 ASSI {  967}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   967 spectrum    1 weight  0.11000E+01 volume  0.32346E-02 ppm1      7.943 ppm2      7.401 CV     1
 ASSI {  968}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.900     2.900     1.100 peak   968 spectrum    1 weight  0.11000E+01 volume  0.32449E-03 ppm1      7.397 ppm2      9.406 CV     1
 ASSI {  971}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.300     1.400     1.400 peak   971 spectrum    1 weight  0.11000E+01 volume  0.14409E-02 ppm1      9.409 ppm2      3.256 CV     1
 OR {  971}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  972}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.200     1.300     1.300 peak   972 spectrum    1 weight  0.11000E+01 volume  0.13646E-02 ppm1      8.885 ppm2      4.433 CV     1
 ASSI {  973}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.200     1.300     1.300 peak   973 spectrum    1 weight  0.11000E+01 volume  0.18218E-02 ppm1      8.885 ppm2      1.739 CV     1
 ASSI {  974}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HG  ))
      4.200     2.200     1.800 peak   974 spectrum    1 weight  0.11000E+01 volume  0.40399E-03 ppm1      8.885 ppm2      1.658 CV     1
 ASSI {  975}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.500     1.600     1.600 peak   975 spectrum    1 weight  0.11000E+01 volume  0.76379E-03 ppm1      8.885 ppm2      1.482 CV     1
 ASSI {  976}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HD2%)
      4.600     2.600     1.400 peak   976 spectrum    1 weight  0.11000E+01 volume  0.33570E-03 ppm1      8.887 ppm2      0.946 CV     1
 OR {  976}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HD1%)
 ASSI {  979}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB1 ))
      3.600     1.700     1.700 peak   979 spectrum    1 weight  0.11000E+01 volume  0.40536E-03 ppm1      8.642 ppm2      2.883 CV     1
 ASSI {  981}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB2 ))
      3.800     1.800     1.800 peak   981 spectrum    1 weight  0.11000E+01 volume  0.62565E-03 ppm1      8.642 ppm2      2.147 CV     1
 ASSI {  982}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HD22))
      2.100     0.500     0.500 peak   982 spectrum    1 weight  0.11000E+01 volume  0.83180E-02 ppm1      8.641 ppm2      7.383 CV     1
 ASSI {  985}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD22))
      3.900     1.900     1.900 peak   985 spectrum    1 weight  0.11000E+01 volume  0.11137E-02 ppm1      9.105 ppm2      7.382 CV     1
 ASSI { 1000}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      3.200     1.300     1.300 peak  1000 spectrum    1 weight  0.11000E+01 volume  0.41182E-02 ppm1      8.344 ppm2      0.677 CV     1
 OR { 1000}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 1001}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG1 ))
      3.000     1.100     1.100 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.13906E-02 ppm1      7.122 ppm2      0.674 CV     1
 OR { 1001}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1002}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.11519E-02 ppm1      7.122 ppm2      1.498 CV     1
 OR { 1002}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1003}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HG1 ))
      3.800     1.800     1.800 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.17053E-02 ppm1      6.722 ppm2      0.674 CV     1
 OR { 1003}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1004}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.11379E-02 ppm1      6.722 ppm2      1.498 CV     1
 OR { 1004}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1005}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.900     1.100     1.100 peak  1005 spectrum    1 weight  0.11000E+01 volume  0.20466E-02 ppm1      8.013 ppm2      3.360 CV     1
 ASSI { 1006}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      2.800     1.000     1.000 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.30262E-02 ppm1      9.493 ppm2      0.678 CV     1
 OR { 1006}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1007}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak  1007 spectrum    1 weight  0.11000E+01 volume  0.31139E-02 ppm1      8.569 ppm2      3.360 CV     1
 ASSI { 1009}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.100     1.100 peak  1009 spectrum    1 weight  0.11000E+01 volume  0.17563E-02 ppm1      7.945 ppm2      1.637 CV     1
 ASSI { 1010}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.400     1.400     1.400 peak  1010 spectrum    1 weight  0.11000E+01 volume  0.28407E-02 ppm1      7.944 ppm2      1.385 CV     1
 ASSI { 1027}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak  1027 spectrum    1 weight  0.11000E+01 volume  0.12490E-02 ppm1      8.366 ppm2      5.563 CV     1
 ASSI { 1031}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      2.600     0.800     0.800 peak  1031 spectrum    1 weight  0.11000E+01 volume  0.47727E-02 ppm1      8.368 ppm2      1.528 CV     1
 ASSI { 1032}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      3.300     1.400     1.400 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.31088E-02 ppm1      9.023 ppm2      1.533 CV     1
 ASSI { 1040}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      3.000     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.19329E-02 ppm1      8.866 ppm2      6.508 CV     1
 ASSI { 1041}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.72040E-03 ppm1      8.866 ppm2      6.781 CV     1
 ASSI { 1043}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
      4.700     2.800     1.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.30860E-03 ppm1      8.909 ppm2      1.374 CV     1
 OR { 1043}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG1 ))
 ASSI { 1047}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     3.200     2.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.77674E-03 ppm1      8.909 ppm2      4.699 CV     1
 ASSI { 1050}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      4.400     2.500     1.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.53031E-03 ppm1      7.756 ppm2      4.541 CV     1
 ASSI { 1054}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HE% )
      4.100     2.100     1.900 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.57740E-03 ppm1      7.756 ppm2      6.585 CV     1
 ASSI { 1056}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.400     2.400     1.600 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.40454E-03 ppm1      6.984 ppm2      1.243 CV     1
 ASSI { 1057}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
      4.400     2.400     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.44783E-03 ppm1      6.984 ppm2      1.506 CV     1
 OR { 1057}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI { 1058}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      3.900     1.900     1.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.65643E-03 ppm1      6.984 ppm2      1.749 CV     1
 OR { 1058}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1060}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.300     2.300     1.700 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.71428E-03 ppm1      8.714 ppm2      1.787 CV     1
 ASSI { 1061}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.97364E-03 ppm1      8.714 ppm2      1.637 CV     1
 ASSI { 1064}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.72874E-03 ppm1      7.970 ppm2     -0.516 CV     1
 ASSI { 1065}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
      3.200     3.200     2.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.23564E-02 ppm1      7.970 ppm2      1.064 CV     1
 ASSI { 1067}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
      3.400     1.500     1.500 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.10638E-02 ppm1      8.714 ppm2      3.900 CV     1
 OR { 1067}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1068}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.500     2.500     1.500 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.48167E-03 ppm1      7.970 ppm2      4.423 CV     1
 ASSI { 1069}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 61   and name HD22))
      4.000     2.000     2.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.14955E-02 ppm1      8.714 ppm2      6.942 CV     1
 ASSI { 1072}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 113  and name HD1%)
      4.100     2.100     1.900 peak  1072 spectrum    1 weight  0.11000E+01 volume  0.38253E-03 ppm1      7.826 ppm2      0.945 CV     1
 ASSI { 1074}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.200     2.200     1.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.61803E-03 ppm1      7.082 ppm2      8.575 CV     1
 ASSI { 1076}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 100  and name HN  ))
      2.800     2.800     3.200 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.14956E-02 ppm1      6.672 ppm2      7.096 CV     1
 ASSI { 1080}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 122  and name HB  ))
      3.600     1.600     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.89756E-03 ppm1      9.409 ppm2      2.465 CV     1
 ASSI { 1082}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.900     1.900     1.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.80680E-03 ppm1      9.409 ppm2      1.289 CV     1
 ASSI { 1084}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.800     2.900     1.200 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.44019E-03 ppm1      9.409 ppm2      8.379 CV     1
 ASSI { 1085}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      4.100     2.100     1.900 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.64145E-03 ppm1      9.409 ppm2      7.244 CV     1
 ASSI { 1086}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
      3.700     1.800     1.800 peak  1086 spectrum    1 weight  0.11000E+01 volume  0.13790E-02 ppm1      7.871 ppm2      1.176 CV     1
 OR { 1086}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1087}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.700     1.700     1.700 peak  1087 spectrum    1 weight  0.11000E+01 volume  0.15899E-02 ppm1      7.871 ppm2      1.278 CV     1
 OR { 1087}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 1089}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.100     1.900 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.14399E-02 ppm1      7.873 ppm2      2.512 CV     1
 ASSI { 1090}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.500     1.500     1.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.12272E-02 ppm1      7.873 ppm2      2.707 CV     1
 ASSI { 1091}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
      4.200     2.200     1.800 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.62478E-03 ppm1      7.873 ppm2      2.856 CV     1
 OR { 1091}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1092}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.700     2.700     1.300 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.52078E-03 ppm1      7.873 ppm2      4.740 CV     1
 ASSI { 1093}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      4.300     2.300     1.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.55208E-03 ppm1      7.863 ppm2      4.935 CV     1
 ASSI { 1094}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.600 peak  1094 spectrum    1 weight  0.11000E+01 volume  0.73471E-03 ppm1      7.872 ppm2      6.987 CV     1
 ASSI { 1097}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.600     1.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.92054E-03 ppm1      8.120 ppm2      8.316 CV     1
 ASSI { 1099}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.25005E-02 ppm1      8.049 ppm2      2.085 CV     1
 OR { 1099}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 1102}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.300     2.300     1.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.41205E-03 ppm1      8.049 ppm2      2.652 CV     1
 ASSI { 1104}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.400     3.400     2.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.48725E-03 ppm1      8.049 ppm2      3.039 CV     1
 ASSI { 1106}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.400     2.400     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.69886E-03 ppm1      8.049 ppm2      4.273 CV     1
 ASSI { 1107}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     1.700     1.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.55942E-03 ppm1      8.049 ppm2      4.535 CV     1
 ASSI { 1113}
   (( segid "    " and resid 89   and name HD21))
   (( segid "    " and resid 89   and name HA  ))
      4.300     2.300     1.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.40663E-03 ppm1      7.829 ppm2      5.442 CV     1
 ASSI { 1117}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.800     1.000     1.000 peak  1117 spectrum    1 weight  0.11000E+01 volume  0.34945E-02 ppm1      8.487 ppm2      3.865 CV     1
 OR { 1117}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1132}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  1132 spectrum    1 weight  0.11000E+01 volume  0.23967E-02 ppm1      9.675 ppm2      0.869 CV     1
 ASSI { 1136}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.56315E-03 ppm1      9.675 ppm2      2.073 CV     1
 ASSI { 1138}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.800     1.800     1.800 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.78480E-03 ppm1      9.609 ppm2      1.226 CV     1
 ASSI { 1140}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
      3.800     1.800     1.800 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.69975E-03 ppm1      9.609 ppm2      1.528 CV     1
 ASSI { 1141}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.600     1.700     1.700 peak  1141 spectrum    1 weight  0.11000E+01 volume  0.20987E-02 ppm1      9.610 ppm2      1.669 CV     1
 ASSI { 1142}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.800     1.000     1.000 peak  1142 spectrum    1 weight  0.11000E+01 volume  0.21278E-02 ppm1      9.609 ppm2      1.863 CV     1
 ASSI { 1143}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.26949E-02 ppm1      9.609 ppm2      2.843 CV     1
 OR { 1143}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1144}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.600     0.600 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.85915E-02 ppm1      9.609 ppm2      4.447 CV     1
 ASSI { 1145}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.70009E-03 ppm1      9.608 ppm2      4.941 CV     1
 ASSI { 1147}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.600     1.600     1.600 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.77418E-03 ppm1      9.492 ppm2      6.780 CV     1
 ASSI { 1148}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      3.400     1.400     1.400 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.75430E-03 ppm1      9.494 ppm2      2.682 CV     1
 ASSI { 1149}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      4.500     2.600     1.500 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.52347E-03 ppm1      9.490 ppm2      2.824 CV     1
 ASSI { 1151}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak  1151 spectrum    1 weight  0.11000E+01 volume  0.66865E-03 ppm1      9.493 ppm2     -0.300 CV     1
 ASSI { 1153}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.700     1.700     1.700 peak  1153 spectrum    1 weight  0.11000E+01 volume  0.11623E-02 ppm1      9.493 ppm2      0.303 CV     1
 ASSI { 1154}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.000     1.100     1.100 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.24592E-02 ppm1      9.492 ppm2      1.164 CV     1
 ASSI { 1155}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      4.200     2.200     1.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.65738E-03 ppm1      9.493 ppm2      4.545 CV     1
 ASSI { 1157}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.400     1.500     1.500 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.11674E-02 ppm1      9.383 ppm2      0.305 CV     1
 ASSI { 1158}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.200     1.300     1.300 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.89523E-03 ppm1      9.383 ppm2      0.686 CV     1
 ASSI { 1160}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.200     1.200 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      9.383 ppm2      1.804 CV     1
 ASSI { 1161}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.000     3.000     3.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.88724E-03 ppm1      9.382 ppm2      1.893 CV     1
 ASSI { 1163}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      9.383 ppm2      3.586 CV     1
 ASSI { 1166}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.900     1.900     1.900 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.78495E-03 ppm1      9.324 ppm2      1.485 CV     1
 ASSI { 1167}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      4.600     2.600     1.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.50538E-03 ppm1      9.324 ppm2      5.947 CV     1
 ASSI { 1168}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.600     1.600     1.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.29253E-02 ppm1      9.325 ppm2      6.766 CV     1
 ASSI { 1170}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.100     2.100     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.62740E-03 ppm1      9.324 ppm2      8.865 CV     1
 ASSI { 1171}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.200     2.200     1.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.51457E-03 ppm1      9.314 ppm2      8.367 CV     1
 ASSI { 1172}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.700     1.700     1.700 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.81041E-03 ppm1      9.316 ppm2      2.212 CV     1
 ASSI { 1174}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
      3.500     1.500     1.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.14190E-02 ppm1      9.315 ppm2      2.582 CV     1
 OR { 1174}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
 ASSI { 1177}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.400     1.500     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.16839E-02 ppm1      9.315 ppm2      2.118 CV     1
 OR { 1177}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1190}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      3.800     1.800     1.800 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.69782E-03 ppm1      9.262 ppm2      0.463 CV     1
 ASSI { 1192}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.51646E-03 ppm1      9.262 ppm2      3.047 CV     1
 ASSI { 1196}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      3.200     1.300     1.300 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.15727E-02 ppm1      9.223 ppm2      1.357 CV     1
 ASSI { 1197}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.61259E-03 ppm1      9.223 ppm2      5.547 CV     1
 ASSI { 1198}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      4.200     2.200     1.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.54874E-03 ppm1      9.223 ppm2      5.954 CV     1
 ASSI { 1201}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.500     1.500     1.500 peak  1201 spectrum    1 weight  0.11000E+01 volume  0.18252E-02 ppm1      9.213 ppm2     -0.112 CV     1
 ASSI { 1202}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.800     1.800     1.800 peak  1202 spectrum    1 weight  0.11000E+01 volume  0.18249E-02 ppm1      9.213 ppm2      0.471 CV     1
 ASSI { 1203}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      3.800     1.800     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.74851E-03 ppm1      9.212 ppm2      0.569 CV     1
 ASSI { 1205}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 125  and name HG2%)
      3.700     1.700     1.700 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.10216E-02 ppm1      9.213 ppm2      0.864 CV     1
 ASSI { 1210}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      4.000     2.000     2.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.84280E-03 ppm1      9.213 ppm2      4.748 CV     1
 ASSI { 1213}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      3.300     1.400     1.400 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.12136E-02 ppm1      9.206 ppm2      2.123 CV     1
 OR { 1213}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 1214}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
      4.200     2.200     1.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.59578E-03 ppm1      9.205 ppm2      1.760 CV     1
 OR { 1214}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI { 1216}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      4.600     2.700     1.400 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.57150E-03 ppm1      9.205 ppm2      1.617 CV     1
 OR { 1216}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI { 1218}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      4.000     2.000     2.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.98509E-03 ppm1      9.207 ppm2      5.621 CV     1
 ASSI { 1226}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      4.200     2.200     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.63284E-03 ppm1      9.288 ppm2      4.756 CV     1
 ASSI { 1227}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.300     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.95518E-03 ppm1      9.288 ppm2      3.405 CV     1
 ASSI { 1228}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      4.700     2.800     1.300 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.58687E-03 ppm1      9.288 ppm2      2.918 CV     1
 ASSI { 1229}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      4.000     2.000     2.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.55451E-03 ppm1      9.288 ppm2      0.454 CV     1
 ASSI { 1230}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      4.000     2.000     2.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.58036E-03 ppm1      9.288 ppm2      1.075 CV     1
 ASSI { 1233}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.200     1.200     1.200 peak  1233 spectrum    1 weight  0.11000E+01 volume  0.20344E-02 ppm1      9.145 ppm2      0.470 CV     1
 ASSI { 1236}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      4.600     2.600     1.400 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.57264E-03 ppm1      9.145 ppm2      0.953 CV     1
 ASSI { 1237}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      3.600     1.600     1.600 peak  1237 spectrum    1 weight  0.11000E+01 volume  0.14043E-02 ppm1      9.145 ppm2      1.399 CV     1
 OR { 1237}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI { 1238}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.900     1.900     1.900 peak  1238 spectrum    1 weight  0.11000E+01 volume  0.93191E-03 ppm1      9.145 ppm2      1.707 CV     1
 ASSI { 1239}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      3.200     1.300     1.300 peak  1239 spectrum    1 weight  0.11000E+01 volume  0.23302E-02 ppm1      9.145 ppm2      1.831 CV     1
 ASSI { 1241}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.900     1.900     1.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.83557E-03 ppm1      9.145 ppm2      5.283 CV     1
 ASSI { 1242}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.400     2.400     1.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.52061E-03 ppm1      9.146 ppm2      8.939 CV     1
 ASSI { 1243}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.100     2.100     1.900 peak  1243 spectrum    1 weight  0.11000E+01 volume  0.44880E-03 ppm1      9.086 ppm2      1.510 CV     1
 ASSI { 1244}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      3.500     3.500     2.500 peak  1244 spectrum    1 weight  0.11000E+01 volume  0.75580E-03 ppm1      8.999 ppm2      2.173 CV     1
 ASSI { 1247}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      3.500     1.600     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.10026E-02 ppm1      9.122 ppm2      0.788 CV     1
 ASSI { 1248}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      3.800     1.800     1.800 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.99119E-03 ppm1      9.122 ppm2      1.079 CV     1
 ASSI { 1250}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.400     2.500     1.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.63397E-03 ppm1      9.122 ppm2      5.870 CV     1
 ASSI { 1252}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.200     1.300     1.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      9.122 ppm2      3.078 CV     1
 OR { 1252}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI { 1254}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      3.600     1.600     1.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.71479E-03 ppm1      8.889 ppm2      4.049 CV     1
 ASSI { 1256}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      4.000     2.000     2.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.57193E-03 ppm1      8.888 ppm2      1.131 CV     1
 ASSI { 1257}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      4.000     2.000     2.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.49044E-03 ppm1      8.888 ppm2      1.981 CV     1
 OR { 1257}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1262}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.900     1.900     1.900 peak  1262 spectrum    1 weight  0.11000E+01 volume  0.66652E-03 ppm1      8.888 ppm2     -0.112 CV     1
 ASSI { 1265}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      4.300     2.300     1.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.71627E-03 ppm1      8.888 ppm2      9.149 CV     1
 ASSI { 1267}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.81312E-03 ppm1      9.104 ppm2      1.637 CV     1
 ASSI { 1269}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.11432E-02 ppm1      9.104 ppm2      2.627 CV     1
 ASSI { 1271}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.75208E-03 ppm1      9.104 ppm2      4.811 CV     1
 ASSI { 1273}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 61   and name HD21))
      3.900     1.900     1.900 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.51760E-03 ppm1      9.104 ppm2      7.273 CV     1
 ASSI { 1274}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak  1274 spectrum    1 weight  0.11000E+01 volume  0.50849E-02 ppm1      9.085 ppm2      0.875 CV     1
 ASSI { 1277}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      3.800     1.800     1.800 peak  1277 spectrum    1 weight  0.11000E+01 volume  0.22560E-02 ppm1      9.085 ppm2      2.069 CV     1
 ASSI { 1279}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.300     2.300     1.700 peak  1279 spectrum    1 weight  0.11000E+01 volume  0.71127E-03 ppm1      9.024 ppm2      0.551 CV     1
 ASSI { 1280}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
      3.400     1.500     1.500 peak  1280 spectrum    1 weight  0.11000E+01 volume  0.65242E-03 ppm1      9.021 ppm2      0.799 CV     1
 ASSI { 1281}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
      3.800     1.800     1.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.94886E-03 ppm1      9.024 ppm2      1.803 CV     1
 ASSI { 1287}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HD1 ))
      4.200     2.200     1.800 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.59306E-03 ppm1      8.963 ppm2      1.387 CV     1
 ASSI { 1288}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HD1 ))
      4.200     2.200     1.800 peak  1288 spectrum    1 weight  0.11000E+01 volume  0.59503E-03 ppm1      8.962 ppm2      3.262 CV     1
 OR { 1288}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HD2 ))
 ASSI { 1289}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      4.700     2.700     1.300 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.49556E-03 ppm1      8.962 ppm2      5.166 CV     1
 ASSI { 1290}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.500     2.500     1.500 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.41731E-03 ppm1      8.963 ppm2      8.499 CV     1
 ASSI { 1296}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      3.400     1.400     1.400 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.10823E-02 ppm1      8.860 ppm2      0.672 CV     1
 OR { 1296}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1297}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.200     2.200     1.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.75573E-03 ppm1      8.860 ppm2      1.510 CV     1
 OR { 1297}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1299}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.700     2.700     1.300 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.45868E-03 ppm1      8.859 ppm2      9.302 CV     1
 ASSI { 1300}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      2.700     0.900     0.900 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.28315E-02 ppm1      8.860 ppm2      6.779 CV     1
 ASSI { 1301}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      4.300     2.300     1.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.49807E-03 ppm1      8.860 ppm2      6.493 CV     1
 ASSI { 1303}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.400     2.400     1.600 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.55794E-03 ppm1      8.848 ppm2      9.304 CV     1
 ASSI { 1306}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.46913E-03 ppm1      8.828 ppm2      7.697 CV     1
 ASSI { 1308}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      3.200     1.300     1.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.89929E-03 ppm1      8.814 ppm2      2.158 CV     1
 OR { 1308}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
 ASSI { 1309}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.100     1.200     1.200 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.12586E-02 ppm1      8.814 ppm2      1.989 CV     1
 ASSI { 1312}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.300     1.400     1.400 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.51469E-03 ppm1      8.814 ppm2      3.155 CV     1
 ASSI { 1314}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      8.694 ppm2      4.709 CV     1
 ASSI { 1316}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.500     1.600     1.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.10014E-02 ppm1      8.692 ppm2      6.555 CV     1
 ASSI { 1318}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.23117E-02 ppm1      8.694 ppm2      8.365 CV     1
 ASSI { 1320}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.100     1.200     1.200 peak  1320 spectrum    1 weight  0.11000E+01 volume  0.25316E-02 ppm1      8.699 ppm2      0.672 CV     1
 ASSI { 1321}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      2.400     0.700     0.700 peak  1321 spectrum    1 weight  0.11000E+01 volume  0.39564E-02 ppm1      8.699 ppm2      0.850 CV     1
 ASSI { 1323}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.400     2.500     1.600 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.90246E-03 ppm1      8.699 ppm2      2.627 CV     1
 ASSI { 1324}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.83263E-03 ppm1      8.698 ppm2      3.390 CV     1
 ASSI { 1327}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.100     2.100     1.900 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.61067E-03 ppm1      8.698 ppm2      5.535 CV     1
 ASSI { 1329}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 36   and name HB2 ))
      3.700     1.800     1.800 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.88634E-03 ppm1      8.642 ppm2      2.623 CV     1
 ASSI { 1332}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 36   and name HB2 ))
      3.500     1.500     1.500 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      7.383 ppm2      2.622 CV     1
 ASSI { 1347}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.700     1.700 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.11223E-02 ppm1      8.576 ppm2      5.166 CV     1
 ASSI { 1349}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      8.577 ppm2      4.291 CV     1
 ASSI { 1351}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 78   and name HE2 ))
      4.100     2.100     1.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.55958E-03 ppm1      8.576 ppm2      2.856 CV     1
 OR { 1351}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 78   and name HE1 ))
 ASSI { 1352}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.900     1.000     1.000 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.27352E-02 ppm1      8.577 ppm2      2.486 CV     1
 ASSI { 1353}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak  1353 spectrum    1 weight  0.11000E+01 volume  0.20632E-02 ppm1      8.577 ppm2      2.358 CV     1
 ASSI { 1356}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.50504E-03 ppm1      8.577 ppm2      8.914 CV     1
 ASSI { 1359}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      3.900     1.900     1.900 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.52260E-03 ppm1      8.570 ppm2      6.825 CV     1
 ASSI { 1362}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HD22))
      3.400     3.400     2.600 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.46906E-03 ppm1      8.569 ppm2      7.393 CV     1
 ASSI { 1364}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.500     2.500     1.500 peak  1364 spectrum    1 weight  0.11000E+01 volume  0.69306E-03 ppm1      8.520 ppm2      1.720 CV     1
 ASSI { 1365}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.200     2.200     1.800 peak  1365 spectrum    1 weight  0.11000E+01 volume  0.79994E-03 ppm1      8.520 ppm2      1.861 CV     1
 ASSI { 1366}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.90389E-03 ppm1      8.520 ppm2      2.072 CV     1
 OR { 1366}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 1367}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
      4.000     2.000     2.000 peak  1367 spectrum    1 weight  0.11000E+01 volume  0.10177E-02 ppm1      8.520 ppm2      3.084 CV     1
 OR { 1367}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1374}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.800     1.800     1.800 peak  1374 spectrum    1 weight  0.11000E+01 volume  0.16458E-02 ppm1      8.444 ppm2      1.789 CV     1
 ASSI { 1375}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.100     1.200     1.200 peak  1375 spectrum    1 weight  0.11000E+01 volume  0.33911E-02 ppm1      8.444 ppm2      1.942 CV     1
 ASSI { 1376}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.500     1.500     1.500 peak  1376 spectrum    1 weight  0.11000E+01 volume  0.16024E-02 ppm1      8.444 ppm2      2.069 CV     1
 ASSI { 1377}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      5.500     3.800     0.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.50375E-03 ppm1      8.444 ppm2      2.678 CV     1
 ASSI { 1378}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      4.700     2.800     1.300 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.56343E-03 ppm1      8.444 ppm2      2.830 CV     1
 ASSI { 1379}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
      4.300     2.300     1.700 peak  1379 spectrum    1 weight  0.11000E+01 volume  0.45662E-03 ppm1      8.444 ppm2      3.073 CV     1
 OR { 1379}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
 ASSI { 1380}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.600     1.600     1.600 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.97311E-03 ppm1      8.444 ppm2      4.557 CV     1
 ASSI { 1381}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.500     1.600     1.600 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.29800E-02 ppm1      8.444 ppm2      6.777 CV     1
 ASSI { 1382}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      4.800     2.900     1.200 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.48827E-03 ppm1      8.444 ppm2      6.512 CV     1
 ASSI { 1384}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 119  and name HE1 ))
      4.400     2.500     1.600 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.56635E-03 ppm1      8.444 ppm2     10.269 CV     1
 ASSI { 1386}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.100     2.100     1.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.79731E-03 ppm1      8.396 ppm2      8.675 CV     1
 ASSI { 1388}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.900     3.000     1.100 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.44138E-03 ppm1      8.396 ppm2      5.441 CV     1
 ASSI { 1389}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      4.700     2.800     1.300 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.45081E-03 ppm1      8.396 ppm2      5.619 CV     1
 ASSI { 1390}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HG2 ))
      3.700     1.700     1.700 peak  1390 spectrum    1 weight  0.11000E+01 volume  0.88393E-03 ppm1      8.497 ppm2      1.846 CV     1
 OR { 1390}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HG1 ))
 ASSI { 1392}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      4.400     2.400     1.600 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.58478E-03 ppm1      8.497 ppm2      5.166 CV     1
 ASSI { 1393}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.700     0.900     0.900 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.25219E-02 ppm1      8.363 ppm2      3.410 CV     1
 ASSI { 1394}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.98268E-03 ppm1      8.363 ppm2      4.292 CV     1
 ASSI { 1397}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.700     2.800     1.300 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.46549E-03 ppm1      8.363 ppm2      6.535 CV     1
 ASSI { 1400}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.67563E-03 ppm1      8.363 ppm2      8.899 CV     1
 ASSI { 1408}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak  1408 spectrum    1 weight  0.11000E+01 volume  0.99255E-03 ppm1      8.345 ppm2      4.771 CV     1
 ASSI { 1413}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.11536E-02 ppm1      8.322 ppm2      3.363 CV     1
 ASSI { 1414}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.200     2.200     1.800 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.48340E-03 ppm1      8.323 ppm2      3.866 CV     1
 OR { 1414}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1415}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      2.700     0.900     0.900 peak  1415 spectrum    1 weight  0.11000E+01 volume  0.47852E-02 ppm1      8.323 ppm2      4.346 CV     1
 ASSI { 1417}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.200     2.200     1.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.63381E-03 ppm1      8.310 ppm2      4.436 CV     1
 ASSI { 1418}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.800     1.800     1.800 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.99111E-03 ppm1      8.310 ppm2      2.037 CV     1
 ASSI { 1420}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.100     3.100     2.900 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.91428E-03 ppm1      8.310 ppm2      1.611 CV     1
 OR { 1420}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1421}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      2.300     0.700     0.700 peak  1421 spectrum    1 weight  0.11000E+01 volume  0.69635E-02 ppm1      8.310 ppm2     -0.530 CV     1
 ASSI { 1424}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
      3.400     1.500     1.500 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.19168E-02 ppm1      8.310 ppm2      1.053 CV     1
 ASSI { 1425}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      4.800     2.900     1.200 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.48057E-03 ppm1      8.310 ppm2      6.509 CV     1
 ASSI { 1427}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.300     1.400     1.400 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.52492E-03 ppm1      8.286 ppm2      1.292 CV     1
 ASSI { 1428}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      4.000     2.000     2.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.61779E-03 ppm1      8.286 ppm2      1.520 CV     1
 OR { 1428}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1429}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      4.500     2.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.67902E-03 ppm1      8.286 ppm2      2.125 CV     1
 ASSI { 1431}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.700     1.800     1.800 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.52355E-03 ppm1      8.269 ppm2      2.145 CV     1
 ASSI { 1432}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.700     1.800     1.800 peak  1432 spectrum    1 weight  0.11000E+01 volume  0.15406E-02 ppm1      8.269 ppm2      1.789 CV     1
 ASSI { 1434}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.900     1.900     1.900 peak  1434 spectrum    1 weight  0.11000E+01 volume  0.16706E-02 ppm1      8.269 ppm2      0.303 CV     1
 ASSI { 1437}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.300     2.300     1.700 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.51193E-03 ppm1      8.269 ppm2      9.493 CV     1
 ASSI { 1438}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.88762E-03 ppm1      8.269 ppm2      8.704 CV     1
 ASSI { 1440}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.200     2.200     1.800 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.58046E-03 ppm1      8.220 ppm2      3.363 CV     1
 ASSI { 1441}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      3.800     1.800     1.800 peak  1441 spectrum    1 weight  0.11000E+01 volume  0.64477E-03 ppm1      8.220 ppm2      4.338 CV     1
 ASSI { 1446}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
      4.200     2.200     1.800 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.86736E-03 ppm1      8.216 ppm2      1.051 CV     1
 OR { 1446}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1447}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
      4.300     2.300     1.700 peak  1447 spectrum    1 weight  0.11000E+01 volume  0.70983E-03 ppm1      8.216 ppm2      1.369 CV     1
 OR { 1447}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG1 ))
 ASSI { 1448}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HD1 ))
      4.300     2.300     1.700 peak  1448 spectrum    1 weight  0.11000E+01 volume  0.63449E-03 ppm1      8.216 ppm2      1.485 CV     1
 OR { 1448}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
 ASSI { 1451}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.600     1.700     1.700 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.18200E-02 ppm1      8.137 ppm2      4.100 CV     1
 ASSI { 1452}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      3.500     1.500     1.500 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1      8.137 ppm2      3.567 CV     1
 ASSI { 1453}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.000     2.000     2.000 peak  1453 spectrum    1 weight  0.11000E+01 volume  0.75384E-03 ppm1      8.137 ppm2      1.059 CV     1
 OR { 1453}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI { 1455}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.000     2.000     2.000 peak  1455 spectrum    1 weight  0.11000E+01 volume  0.78307E-03 ppm1      8.039 ppm2      1.510 CV     1
 ASSI { 1456}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.100     1.200     1.200 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.10416E-02 ppm1      8.040 ppm2      1.781 CV     1
 ASSI { 1457}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.600     1.600     1.600 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.13865E-02 ppm1      8.040 ppm2      2.074 CV     1
 ASSI { 1459}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      4.700     2.700     1.300 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.51895E-03 ppm1      8.040 ppm2      3.560 CV     1
 ASSI { 1460}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.400     2.400     1.600 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.48283E-03 ppm1      8.040 ppm2      9.084 CV     1
 ASSI { 1461}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      3.800     1.800     1.800 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.53924E-03 ppm1      8.040 ppm2      6.504 CV     1
 ASSI { 1464}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.300     2.300     1.700 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.44984E-03 ppm1      8.013 ppm2      1.890 CV     1
 OR { 1464}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1465}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak  1465 spectrum    1 weight  0.11000E+01 volume  0.94494E-03 ppm1      8.014 ppm2      4.516 CV     1
 ASSI { 1466}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  1466 spectrum    1 weight  0.11000E+01 volume  0.11888E-02 ppm1      8.012 ppm2      8.368 CV     1
 ASSI { 1467}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      4.100     2.100     1.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.67928E-03 ppm1      8.013 ppm2      6.826 CV     1
 ASSI { 1468}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      3.700     1.700     1.700 peak  1468 spectrum    1 weight  0.11000E+01 volume  0.12153E-02 ppm1      7.970 ppm2     -0.064 CV     1
 ASSI { 1469}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      3.500     1.500     1.500 peak  1469 spectrum    1 weight  0.11000E+01 volume  0.12618E-02 ppm1      7.970 ppm2      0.571 CV     1
 ASSI { 1470}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.700     1.700     1.700 peak  1470 spectrum    1 weight  0.11000E+01 volume  0.92799E-03 ppm1      7.970 ppm2      1.535 CV     1
 ASSI { 1471}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak  1471 spectrum    1 weight  0.11000E+01 volume  0.19731E-02 ppm1      7.970 ppm2      1.865 CV     1
 OR { 1471}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 1473}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.200     1.300     1.300 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.18347E-02 ppm1      7.970 ppm2      2.779 CV     1
 ASSI { 1474}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     1.900     1.900 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.60393E-03 ppm1      7.968 ppm2      8.516 CV     1
 ASSI { 1478}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      4.400     2.400     1.600 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.85583E-03 ppm1      7.961 ppm2      4.455 CV     1
 ASSI { 1481}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.58666E-03 ppm1      7.962 ppm2      8.259 CV     1
 ASSI { 1483}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.800     1.900     1.900 peak  1483 spectrum    1 weight  0.11000E+01 volume  0.10226E-02 ppm1      7.945 ppm2      1.543 CV     1
 ASSI { 1485}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      4.300     2.300     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.72660E-03 ppm1      7.944 ppm2      7.231 CV     1
 ASSI { 1490}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      4.000     2.000     2.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      7.901 ppm2      2.715 CV     1
 ASSI { 1491}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.300     1.400     1.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.52939E-03 ppm1      7.901 ppm2      2.839 CV     1
 OR { 1491}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1493}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.400     1.500     1.500 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.15274E-02 ppm1      7.901 ppm2      3.586 CV     1
 ASSI { 1495}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
      3.800     1.800     1.800 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.80175E-03 ppm1      7.893 ppm2      4.545 CV     1
 ASSI { 1496}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.300     2.300     1.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.46583E-03 ppm1      7.893 ppm2      2.484 CV     1
 ASSI { 1503}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.300     2.300     1.700 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.44179E-03 ppm1      7.799 ppm2      4.944 CV     1
 ASSI { 1505}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.400     2.400     1.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.43283E-03 ppm1      7.799 ppm2      8.887 CV     1
 ASSI { 1506}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.28143E-02 ppm1      7.780 ppm2      0.850 CV     1
 ASSI { 1507}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
      3.900     1.900     1.900 peak  1507 spectrum    1 weight  0.11000E+01 volume  0.14129E-02 ppm1      7.780 ppm2      1.510 CV     1
 OR { 1507}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI { 1508}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.700     0.900     0.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.36924E-02 ppm1      7.780 ppm2      2.069 CV     1
 ASSI { 1511}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.600     2.600     1.400 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.58207E-03 ppm1      7.779 ppm2      2.848 CV     1
 OR { 1511}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1512}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HE1 ))
      4.400     2.400     1.600 peak  1512 spectrum    1 weight  0.11000E+01 volume  0.79166E-03 ppm1      7.779 ppm2      2.954 CV     1
 OR { 1512}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HE2 ))
 ASSI { 1513}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.23955E-02 ppm1      7.780 ppm2      3.389 CV     1
 ASSI { 1514}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.800     1.800 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      7.779 ppm2      4.131 CV     1
 ASSI { 1516}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
      4.000     2.000     2.000 peak  1516 spectrum    1 weight  0.11000E+01 volume  0.52483E-03 ppm1      7.721 ppm2      1.053 CV     1
 ASSI { 1519}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      3.800     1.800     1.800 peak  1519 spectrum    1 weight  0.11000E+01 volume  0.12880E-02 ppm1      7.689 ppm2      0.951 CV     1
 ASSI { 1520}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.000     2.000     2.000 peak  1520 spectrum    1 weight  0.11000E+01 volume  0.17526E-02 ppm1      7.587 ppm2     -0.521 CV     1
 ASSI { 1521}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.000     3.000     3.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      7.584 ppm2      1.612 CV     1
 OR { 1521}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 1522}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      3.300     3.300     2.700 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.53555E-03 ppm1      7.587 ppm2      2.020 CV     1
 OR { 1522}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1523}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      4.300     2.300     1.700 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.45698E-03 ppm1      7.503 ppm2     -0.115 CV     1
 ASSI { 1524}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
      3.700     1.700     1.700 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.71725E-03 ppm1      7.586 ppm2      1.384 CV     1
 OR { 1524}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HG1 ))
 ASSI { 1525}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      3.700     1.700     1.700 peak  1525 spectrum    1 weight  0.11000E+01 volume  0.77734E-03 ppm1      7.586 ppm2      2.106 CV     1
 ASSI { 1526}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.300     1.400     1.400 peak  1526 spectrum    1 weight  0.11000E+01 volume  0.11684E-02 ppm1      7.586 ppm2      2.211 CV     1
 ASSI { 1527}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.700     1.700     1.700 peak  1527 spectrum    1 weight  0.11000E+01 volume  0.11499E-02 ppm1      7.586 ppm2      2.487 CV     1
 ASSI { 1528}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.700     2.800     1.300 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.55222E-03 ppm1      7.586 ppm2      3.068 CV     1
 ASSI { 1529}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.100     2.100     1.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.82751E-03 ppm1      7.586 ppm2      3.407 CV     1
 ASSI { 1532}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.400     1.400 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.12928E-02 ppm1      7.586 ppm2      6.544 CV     1
 ASSI { 1533}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.50543E-03 ppm1      7.586 ppm2      5.175 CV     1
 ASSI { 1534}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.600     1.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      7.584 ppm2      8.365 CV     1
 ASSI { 1536}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.300     2.300     1.700 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.61690E-03 ppm1      7.503 ppm2      8.883 CV     1
 ASSI { 1538}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.11000E+01 volume  0.21351E-02 ppm1      7.580 ppm2      3.084 CV     1
 OR { 1538}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1539}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.000     2.000     2.000 peak  1539 spectrum    1 weight  0.11000E+01 volume  0.77704E-03 ppm1      7.580 ppm2      1.865 CV     1
 ASSI { 1540}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.700     1.700     1.700 peak  1540 spectrum    1 weight  0.11000E+01 volume  0.63772E-03 ppm1      7.579 ppm2      1.721 CV     1
 ASSI { 1544}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.200     0.600     0.600 peak  1544 spectrum    1 weight  0.11000E+01 volume  0.41904E-02 ppm1      7.568 ppm2      0.872 CV     1
 ASSI { 1545}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.800     0.900     0.900 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.31969E-02 ppm1      7.568 ppm2      1.502 CV     1
 OR { 1545}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1546}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
      4.100     2.100     1.900 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.15570E-02 ppm1      7.568 ppm2      1.630 CV     1
 ASSI { 1549}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.800     1.900     1.900 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.52419E-03 ppm1      7.568 ppm2      4.766 CV     1
 ASSI { 1550}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      7.565 ppm2      3.363 CV     1
 ASSI { 1551}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.55530E-03 ppm1      7.566 ppm2      3.898 CV     1
 ASSI { 1552}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.30081E-02 ppm1      7.566 ppm2      4.344 CV     1
 ASSI { 1553}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.55070E-03 ppm1      7.566 ppm2      8.496 CV     1
 ASSI { 1554}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
      3.500     1.600     1.600 peak  1554 spectrum    1 weight  0.11000E+01 volume  0.12249E-02 ppm1      7.557 ppm2      1.542 CV     1
 OR { 1554}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 ASSI { 1555}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.400     1.500     1.500 peak  1555 spectrum    1 weight  0.11000E+01 volume  0.16410E-02 ppm1      7.557 ppm2      1.708 CV     1
 ASSI { 1556}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      3.100     1.200     1.200 peak  1556 spectrum    1 weight  0.11000E+01 volume  0.31349E-02 ppm1      7.555 ppm2      1.992 CV     1
 ASSI { 1558}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.700     1.700     1.700 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.16610E-02 ppm1      7.555 ppm2      0.469 CV     1
 ASSI { 1559}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      3.800     1.800     1.800 peak  1559 spectrum    1 weight  0.11000E+01 volume  0.13788E-02 ppm1      7.344 ppm2      0.783 CV     1
 OR { 1559}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HG1%)
 ASSI { 1560}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      4.300     2.300     1.700 peak  1560 spectrum    1 weight  0.11000E+01 volume  0.51639E-03 ppm1      7.344 ppm2      1.268 CV     1
 OR { 1560}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 1561}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.300     1.400     1.400 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.23196E-02 ppm1      7.345 ppm2      1.383 CV     1
 ASSI { 1562}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      4.100     2.100     1.900 peak  1562 spectrum    1 weight  0.11000E+01 volume  0.88574E-03 ppm1      7.345 ppm2      1.586 CV     1
 ASSI { 1563}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.800     1.000     1.000 peak  1563 spectrum    1 weight  0.11000E+01 volume  0.18610E-02 ppm1      7.345 ppm2      1.713 CV     1
 ASSI { 1564}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.54631E-03 ppm1      7.344 ppm2      2.069 CV     1
 OR { 1564}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1565}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.100     1.900 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.17151E-02 ppm1      7.344 ppm2      2.510 CV     1
 ASSI { 1566}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.000     1.100     1.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.12531E-02 ppm1      7.345 ppm2      2.703 CV     1
 ASSI { 1567}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.800     2.900     1.200 peak  1567 spectrum    1 weight  0.11000E+01 volume  0.47197E-03 ppm1      7.344 ppm2      3.370 CV     1
 ASSI { 1568}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.60392E-03 ppm1      7.344 ppm2      3.583 CV     1
 ASSI { 1569}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.300     2.300     1.700 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.64367E-03 ppm1      7.344 ppm2      3.675 CV     1
 ASSI { 1571}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.87323E-03 ppm1      7.344 ppm2      9.598 CV     1
 ASSI { 1572}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.200     3.200     2.800 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.81026E-03 ppm1      6.985 ppm2      1.709 CV     1
 ASSI { 1573}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.500     1.500     1.500 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.75693E-03 ppm1      6.985 ppm2      1.867 CV     1
 ASSI { 1574}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.17982E-02 ppm1      6.983 ppm2      3.592 CV     1
 ASSI { 1577}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.400     1.400 peak  1577 spectrum    1 weight  0.11000E+01 volume  0.36757E-02 ppm1      6.943 ppm2      0.869 CV     1
 ASSI { 1578}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.400     1.500     1.500 peak  1578 spectrum    1 weight  0.11000E+01 volume  0.30815E-02 ppm1      6.943 ppm2      1.245 CV     1
 ASSI { 1579}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.23390E-02 ppm1      6.943 ppm2      1.671 CV     1
 ASSI { 1580}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      3.400     1.400     1.400 peak  1580 spectrum    1 weight  0.11000E+01 volume  0.77742E-03 ppm1      6.943 ppm2      2.075 CV     1
 ASSI { 1581}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.000     2.000     2.000 peak  1581 spectrum    1 weight  0.11000E+01 volume  0.65137E-03 ppm1      6.943 ppm2      4.038 CV     1
 ASSI { 1582}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak  1582 spectrum    1 weight  0.11000E+01 volume  0.77463E-03 ppm1      6.943 ppm2      7.977 CV     1
 ASSI { 1584}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.100     2.100     1.900 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.94374E-03 ppm1      6.543 ppm2      2.018 CV     1
 OR { 1584}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI { 1586}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HE2 ))
      4.300     2.300     1.700 peak  1586 spectrum    1 weight  0.11000E+01 volume  0.60322E-03 ppm1      6.544 ppm2      2.860 CV     1
 OR { 1586}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HE1 ))
 ASSI { 1589}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.800     2.800     1.200 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.50020E-03 ppm1      6.544 ppm2      3.303 CV     1
 OR { 1589}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1593}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.200     2.200     1.800 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.51638E-03 ppm1      6.544 ppm2      7.716 CV     1
 ASSI { 1594}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.80476E-03 ppm1      6.544 ppm2      8.512 CV     1
 ASSI { 1595}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.800     1.800     1.800 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.92182E-03 ppm1      6.326 ppm2      1.985 CV     1
 OR { 1595}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1597}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.300     1.400     1.400 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.79090E-03 ppm1      6.255 ppm2      2.627 CV     1
 ASSI { 1598}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      6.256 ppm2      1.798 CV     1
 ASSI { 1599}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.800     1.800     1.800 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.49700E-03 ppm1      6.255 ppm2      3.592 CV     1
 ASSI { 1605}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.87225E-03 ppm1      7.735 ppm2      2.663 CV     1
 ASSI { 1606}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 53   and name HB2 ))
      4.500     2.500     1.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.48291E-03 ppm1      6.886 ppm2      2.663 CV     1
 ASSI { 1607}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 53   and name HB1 ))
      3.700     1.700     1.700 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.83241E-03 ppm1      7.735 ppm2      2.772 CV     1
 ASSI { 1608}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 32   and name HB1 ))
      3.300     1.400     1.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.83301E-03 ppm1      7.537 ppm2      1.505 CV     1
 OR { 1608}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 1609}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 32   and name HB2 ))
      4.100     2.100     1.900 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.43249E-03 ppm1      7.191 ppm2      1.487 CV     1
 OR { 1609}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1611}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.700     1.700     1.700 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.82088E-03 ppm1      7.331 ppm2      1.942 CV     1
 ASSI { 1612}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.400     3.400     2.600 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.51405E-03 ppm1      7.331 ppm2      1.747 CV     1
 ASSI { 1617}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      5.000     3.100     1.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.49193E-03 ppm1      7.331 ppm2      5.086 CV     1
 ASSI { 1618}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.200     0.600     0.600 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.11073E-01 ppm1      7.331 ppm2      4.700 CV     1
 ASSI { 1622}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 37   and name HA1 ))
      4.200     2.200     1.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.55746E-03 ppm1      7.269 ppm2      4.459 CV     1
 ASSI { 1623}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 37   and name HA1 ))
      3.500     1.500     1.500 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.46083E-03 ppm1      6.929 ppm2      4.459 CV     1
 ASSI { 1626}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 117  and name HB1 ))
      3.700     1.700     1.700 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.56817E-03 ppm1      7.122 ppm2      3.700 CV     1
 ASSI { 1627}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 117  and name HB2 ))
      4.500     2.600     1.500 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.67336E-03 ppm1      6.722 ppm2      3.521 CV     1
 ASSI { 1628}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 117  and name HB1 ))
      4.500     2.500     1.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.57978E-03 ppm1      6.722 ppm2      3.700 CV     1
 ASSI { 1629}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 117  and name HN  ))
      3.500     1.600     1.600 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.83647E-03 ppm1      7.122 ppm2      7.332 CV     1
 ASSI { 1630}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 117  and name HN  ))
      3.900     1.900     1.900 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.96294E-03 ppm1      6.722 ppm2      7.332 CV     1
 ASSI { 1631}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 119  and name HE1 ))
      4.100     2.100     1.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.46782E-03 ppm1      7.122 ppm2     10.262 CV     1
 ASSI { 1632}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 119  and name HE1 ))
      3.800     1.800     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.51604E-03 ppm1      6.722 ppm2     10.262 CV     1
 ASSI { 1635}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.51888E-03 ppm1      8.368 ppm2      3.374 CV     1
 ASSI { 1636}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.500     1.600     1.600 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.59537E-03 ppm1      8.368 ppm2      3.266 CV     1
 ASSI { 1637}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
      4.600     2.600     1.400 peak  1637 spectrum    1 weight  0.11000E+01 volume  0.59088E-03 ppm1      8.368 ppm2      3.073 CV     1
 OR { 1637}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
 ASSI { 1638}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.600     1.600     1.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.65010E-03 ppm1      8.368 ppm2      2.835 CV     1
 ASSI { 1641}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.400     1.500     1.500 peak  1641 spectrum    1 weight  0.11000E+01 volume  0.74349E-03 ppm1      8.368 ppm2      2.070 CV     1
 ASSI { 1642}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.300     1.400     1.400 peak  1642 spectrum    1 weight  0.11000E+01 volume  0.40384E-02 ppm1      8.368 ppm2      1.942 CV     1
 ASSI { 1643}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.400     0.700     0.700 peak  1643 spectrum    1 weight  0.11000E+01 volume  0.48709E-02 ppm1      8.368 ppm2      1.790 CV     1
 ASSI { 1644}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.200     1.300     1.300 peak  1644 spectrum    1 weight  0.11000E+01 volume  0.23653E-02 ppm1      8.368 ppm2      1.614 CV     1
 OR { 1644}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
 ASSI { 1648}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.600     1.600     1.600 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.13044E-02 ppm1      8.366 ppm2      6.791 CV     1
 ASSI { 1649}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 43   and name HD22))
      3.700     1.700     1.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.13488E-02 ppm1      8.368 ppm2      7.401 CV     1
 ASSI { 1650}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.84898E-03 ppm1      8.368 ppm2      7.890 CV     1
 ASSI { 1652}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      3.900     1.900     1.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.51414E-03 ppm1      8.368 ppm2      9.195 CV     1
 ASSI { 1657}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
      3.000     1.100     1.100 peak  1657 spectrum    1 weight  0.11000E+01 volume  0.37369E-02 ppm1      8.512 ppm2      1.063 CV     1
 OR { 1657}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
 ASSI { 1659}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      4.100     2.100     1.900 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.87858E-03 ppm1      8.511 ppm2      1.764 CV     1
 ASSI { 1660}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.300     2.300     1.700 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      8.511 ppm2      2.024 CV     1
 OR { 1660}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI { 1670}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      8.487 ppm2      4.338 CV     1
 ASSI { 1671}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.800     1.800     1.800 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.82058E-03 ppm1      8.487 ppm2      4.471 CV     1
 ASSI { 1672}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      3.200     1.200     1.200 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.89801E-03 ppm1      8.487 ppm2      2.721 CV     1
 ASSI { 1675}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.100     1.200     1.200 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.18927E-02 ppm1      8.488 ppm2      1.053 CV     1
 OR { 1675}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 1676}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.200     2.200     1.800 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.62270E-03 ppm1      8.487 ppm2      0.594 CV     1
 ASSI { 1679}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      3.400     1.400     1.400 peak  1679 spectrum    1 weight  0.11000E+01 volume  0.16023E-02 ppm1      9.676 ppm2      0.748 CV     1
 ASSI { 1680}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak  1680 spectrum    1 weight  0.11000E+01 volume  0.51442E-03 ppm1      7.967 ppm2      4.911 CV     1
 ASSI { 1681}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.900     1.900     1.900 peak  1681 spectrum    1 weight  0.11000E+01 volume  0.46550E-03 ppm1      6.943 ppm2      4.276 CV     1
 ASSI { 1684}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
      3.500     1.500     1.500 peak  1684 spectrum    1 weight  0.11000E+01 volume  0.40701E-03 ppm1      7.345 ppm2      1.180 CV     1
 OR { 1684}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
 ASSI { 1686}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.400     1.400     1.400 peak  1686 spectrum    1 weight  0.11000E+01 volume  0.91443E-03 ppm1      8.511 ppm2      1.613 CV     1
 OR { 1686}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1687}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      4.400     2.400     1.600 peak  1687 spectrum    1 weight  0.11000E+01 volume  0.34641E-03 ppm1      8.137 ppm2      1.931 CV     1
 OR { 1687}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI { 1689}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      4.300     4.300     1.700 peak  1689 spectrum    1 weight  0.11000E+01 volume  0.37709E-03 ppm1      9.000 ppm2     -0.111 CV     1
 ASSI { 1690}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      4.500     2.500     1.500 peak  1690 spectrum    1 weight  0.11000E+01 volume  0.42810E-03 ppm1      8.368 ppm2      1.393 CV     1
 OR { 1690}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1691}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.900     1.900     1.900 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.82578E-03 ppm1      8.370 ppm2      2.213 CV     1
 ASSI { 1692}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
      3.300     1.300     1.300 peak  1692 spectrum    1 weight  0.11000E+01 volume  0.40384E-02 ppm1      8.368 ppm2      1.896 CV     1
 ASSI { 1693}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
      3.000     1.100     1.100 peak  1693 spectrum    1 weight  0.11000E+01 volume  0.14729E-02 ppm1      8.444 ppm2      1.896 CV     1
 ASSI { 1694}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      4.100     2.100     1.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.42660E-03 ppm1      8.497 ppm2      0.470 CV     1
!
! Ambiguous restraints from final ARIA run
! ========================================
!
 ASSI {  670}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
      6.000     5.400     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.15325E-04 ppm1      7.970 ppm2      1.066 CV     1
 OR {  670}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
 OR {  670}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 80   and name HD1 ))
 OR {  670}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 80   and name HD2 ))
 ASSI {  776}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      5.700     4.100     0.300 peak   776 spectrum    1 weight  0.10000E+01 volume  0.50182E-04 ppm1      9.321 ppm2      0.468 CV     1
 OR {  776}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  777}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      5.600     3.900     0.400 peak   777 spectrum    1 weight  0.10000E+01 volume  0.54178E-04 ppm1      9.321 ppm2      0.572 CV     1
 OR {  777}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
 ASSI {  825}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.600     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.10850E-04 ppm1      9.179 ppm2      3.231 CV     1
 OR {  825}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 124  and name HD2 ))
 ASSI {  840}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     5.600     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.23934E-04 ppm1      8.999 ppm2      1.849 CV     1
 OR {  840}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 123  and name HG2 ))
 ASSI {  879}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     5.900     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.20398E-04 ppm1      8.963 ppm2      5.175 CV     1
 OR {  879}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI {  924}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      4.300     2.300     1.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.87029E-04 ppm1      8.668 ppm2      1.338 CV     1
 OR {  924}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI {  942}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 94   and name HE% )
      6.000     6.000     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.29226E-04 ppm1      8.577 ppm2      7.063 CV     1
 OR {  942}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
 ASSI {  993}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.23797E-03 ppm1      8.321 ppm2      1.485 CV     1
 OR {  993}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  993}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
 ASSI {  999}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     6.000     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.98998E-05 ppm1      8.310 ppm2      4.436 CV     1
 OR {  999}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 1016}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.58464E-03 ppm1      8.269 ppm2      0.669 CV     1
 OR { 1016}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR { 1016}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 1043}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      5.800     4.300     0.200 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.43341E-04 ppm1      8.011 ppm2      1.539 CV     1
 OR { 1043}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1053}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.600     2.600     1.400 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.10112E-03 ppm1      7.971 ppm2      2.764 CV     1
 OR { 1053}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1055}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      5.700     4.000     0.300 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.10286E-03 ppm1      7.962 ppm2      0.669 CV     1
 OR { 1055}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 1093}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      5.600     3.900     0.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.18037E-04 ppm1      7.588 ppm2      2.028 CV     1
 OR { 1093}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR { 1093}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1175}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.300     3.300     2.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.72710E-03 ppm1      7.333 ppm2      1.484 CV     1
 OR { 1175}
   (( segid "    " and resid 119  and name HZ2 ))
   (  segid "    " and resid 112  and name HB% )
 ASSI { 1189}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 119  and name HZ2 ))
      4.600     2.700     1.400 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.11956E-03 ppm1      6.727 ppm2      7.343 CV     1
 OR { 1189}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 1206}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      6.000     5.600     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.29174E-04 ppm1      8.369 ppm2      6.508 CV     1
 OR { 1206}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 118  and name HE% )
 ASSI { 1283}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      3.600     3.600     2.400 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.23347E-03 ppm1      9.179 ppm2      1.544 CV     1
 OR { 1283}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 ASSI { 1301}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.100     1.200     1.200 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.16800E-02 ppm1      8.963 ppm2      0.469 CV     1
 OR { 1301}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1317}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      5.100     3.300     0.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.90600E-04 ppm1      8.699 ppm2      1.644 CV     1
 OR { 1317}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1343}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.900     3.000     1.100 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.96347E-04 ppm1      8.345 ppm2      1.801 CV     1
 OR { 1343}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
 ASSI { 1549}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 117  and name HB2 ))
      6.000     5.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.50462E-05 ppm1      6.781 ppm2      3.528 CV     1
 OR { 1549}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1585}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      6.503 ppm2      1.800 CV     1
 OR { 1585}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1637}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 120  and name HG2%)
      3.500     3.500     2.500 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.59749E-03 ppm1      6.292 ppm2      0.795 CV     1
 OR { 1637}
   (( segid "    " and resid 62   and name HZ  ))
   (( segid "    " and resid 31   and name HG11))
 ASSI { 1639}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 120  and name HG2%)
      2.800     2.800     3.200 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.20044E-02 ppm1      6.353 ppm2      0.792 CV     1
 OR { 1639}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 31   and name HG11))
 ASSI { 1663}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 32   and name HG1 ))
      3.100     1.200     1.200 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.12818E-02 ppm1      6.779 ppm2      0.670 CV     1
 OR { 1663}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 32   and name HG1 ))
 OR { 1663}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 83   and name HG1%)
 OR { 1663}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1666}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     3.200     2.800 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.20081E-02 ppm1      6.945 ppm2      0.671 CV     1
 OR { 1666}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 1682}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 105  and name HG1%)
      3.200     3.200     2.800 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.16054E-02 ppm1      7.681 ppm2      0.470 CV     1
 OR { 1682}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 107  and name HG1%)
 ASSI { 1685}
   (( segid "    " and resid 96   and name HZ  ))
   (  segid "    " and resid 107  and name HG1%)
      3.900     1.900     1.900 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.39594E-03 ppm1      7.335 ppm2      0.467 CV     1
 OR { 1685}
   (( segid "    " and resid 96   and name HZ  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1689}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 83   and name HG1%)
      4.000     2.000     2.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.43375E-03 ppm1      7.455 ppm2      0.667 CV     1
 OR { 1689}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 1692}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 32   and name HG1 ))
      4.700     2.800     1.300 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.96739E-04 ppm1      7.334 ppm2      0.669 CV     1
 OR { 1692}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
 OR { 1692}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR { 1692}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 1699}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 33   and name HB1 ))
      4.300     2.300     1.700 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.61117E-03 ppm1      7.454 ppm2      1.788 CV     1
 OR { 1699}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1802}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     2.500     3.500 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.67298E-02 ppm1      3.898 ppm2      0.670 CV     1
 OR { 1802}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 32   and name HG1 ))
 OR { 1802}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1851}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 80   and name HD1 ))
      2.200     2.200     3.800 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.12028E-01 ppm1      3.563 ppm2      1.065 CV     1
 OR { 1851}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 80   and name HD2 ))
 OR { 1851}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 80   and name HG2 ))
 OR { 1851}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 80   and name HD2 ))
 ASSI { 1856}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 40   and name HD1%)
      3.300     1.400     1.400 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.75460E-03 ppm1      3.525 ppm2      0.755 CV     1
 OR { 1856}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 1857}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
      2.000     0.500     0.500 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.12218E-01 ppm1      3.523 ppm2      0.671 CV     1
 OR { 1857}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR { 1857}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 40   and name HD2%)
 OR { 1857}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 1885}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      4.400     2.400     1.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.11143E-03 ppm1      4.337 ppm2      1.720 CV     1
 OR { 1885}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
 OR { 1885}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 123  and name HB1 ))
 ASSI { 1929}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG1 ))
      1.700     0.300     0.500 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.37039E-01 ppm1      4.069 ppm2      2.035 CV     1
 OR { 1929}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 OR { 1929}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI { 2061}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 40   and name HG  ))
      2.500     2.500     3.500 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.60451E-02 ppm1      2.883 ppm2      1.633 CV     1
 OR { 2061}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2076}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 73   and name HG2 ))
      1.700     1.700     4.300 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.22604E-01 ppm1      2.509 ppm2      2.209 CV     1
 OR { 2076}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
 OR { 2076}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI { 2078}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.300     0.200     0.900 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.67036E-01 ppm1      2.496 ppm2      2.362 CV     1
 OR { 2078}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI { 2098}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
      1.500     0.300     0.700 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.66535E-01 ppm1      1.503 ppm2      0.670 CV     1
 OR { 2098}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
 OR { 2098}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 2099}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD2%)
      1.800     1.800     4.200 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.33909E-01 ppm1      1.390 ppm2      0.671 CV     1
 OR { 2099}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 2130}
   (( segid "    " and resid 39   and name HG11))
   (  segid "    " and resid 57   and name HG2%)
      3.500     3.500     2.500 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.13487E-02 ppm1      0.866 ppm2     -0.062 CV     1
 OR { 2130}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI { 2160}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HG  ))
      1.500     0.300     0.700 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.10340E+00 ppm1      1.537 ppm2      1.388 CV     1
 OR { 2160}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2187}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 39   and name HG2%)
      3.000     3.000     3.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.43595E-02 ppm1      1.630 ppm2      0.303 CV     1
 OR { 2187}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
 ASSI { 2195}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 57   and name HG2%)
      3.500     1.500     1.500 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.51841E-03 ppm1      2.468 ppm2     -0.062 CV     1
 OR { 2195}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI { 2200}
   (( segid "    " and resid 122  and name HB  ))
   (  segid "    " and resid 31   and name HD1%)
      4.200     2.300     1.800 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.29223E-03 ppm1      2.467 ppm2      0.557 CV     1
 OR { 2200}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 2204}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      3.300     3.300     2.700 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.27710E-02 ppm1      2.778 ppm2      0.671 CV     1
 OR { 2204}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR { 2204}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 2219}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 40   and name HB1 ))
      3.900     1.900     1.900 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.28464E-03 ppm1      2.353 ppm2      1.389 CV     1
 OR { 2219}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 ASSI { 2228}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 56   and name HG1 ))
      2.700     2.700     3.300 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.53633E-02 ppm1      2.761 ppm2      2.469 CV     1
 OR { 2228}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2256}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 78   and name HB1 ))
      2.600     2.600     3.400 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      2.351 ppm2      1.768 CV     1
 OR { 2256}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR { 2256}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 2276}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 122  and name HG2%)
      3.400     3.400     2.600 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      7.252 ppm2      1.079 CV     1
 OR { 2276}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 122  and name HG2%)
 ASSI { 2287}
   (  segid "    " and resid 121  and name HE% )
   (( segid "    " and resid 110  and name HB2 ))
      3.100     1.200     1.200 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.87203E-03 ppm1      6.838 ppm2      1.623 CV     1
 OR { 2287}
   (  segid "    " and resid 121  and name HE% )
   (( segid "    " and resid 110  and name HB1 ))
 OR { 2287}
   (  segid "    " and resid 98   and name HE% )
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {  332}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.100     2.100     1.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.60372E-03 ppm1      8.269 ppm2      8.860 CV     1
 OR {  332}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
 ASSI { 1034}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.900     1.900     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1      8.866 ppm2      0.678 CV     1
 OR { 1034}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1044}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.600     2.600     1.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.41000E-03 ppm1      8.909 ppm2      1.483 CV     1
 OR { 1044}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HD1 ))
 OR { 1044}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
 ASSI { 1066}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      3.900     1.900     1.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      7.970 ppm2      1.494 CV     1
 OR { 1066}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1073}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.600     1.600     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.68382E-03 ppm1      8.318 ppm2      1.487 CV     1
 OR { 1073}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
 ASSI { 1081}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      4.400     2.400     1.600 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.38167E-03 ppm1      9.409 ppm2      1.516 CV     1
 OR { 1081}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1101}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.100     2.100     1.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.40656E-03 ppm1      8.049 ppm2      2.466 CV     1
 OR { 1101}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1101}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
 ASSI { 1135}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.100     2.100     1.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.71849E-03 ppm1      9.672 ppm2      1.769 CV     1
 OR { 1135}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1150}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.500     1.500     1.500 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.77975E-03 ppm1      9.493 ppm2      3.519 CV     1
 OR { 1150}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1162}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      4.600     2.700     1.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.58155E-03 ppm1      9.383 ppm2      2.073 CV     1
 OR { 1162}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1195}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      3.400     3.400     2.600 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.55973E-03 ppm1      9.262 ppm2      9.005 CV     1
 OR { 1195}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1209}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      4.100     2.100     1.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.54764E-03 ppm1      9.213 ppm2      2.174 CV     1
 OR { 1209}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI { 1221}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.600     2.600     1.400 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.55054E-03 ppm1      9.206 ppm2      8.384 CV     1
 OR { 1221}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 1268}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.300     2.300     1.700 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.50149E-03 ppm1      9.104 ppm2      1.789 CV     1
 OR { 1268}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1298}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.600     2.600     1.400 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.58272E-03 ppm1      8.860 ppm2      1.796 CV     1
 OR { 1298}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1313}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.500     1.600     1.600 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.17737E-02 ppm1      8.692 ppm2      4.040 CV     1
 OR { 1313}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
 ASSI { 1326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.300     2.300     1.700 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.45020E-03 ppm1      8.698 ppm2      4.447 CV     1
 OR { 1326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
 ASSI { 1328}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.14772E-02 ppm1      8.698 ppm2      9.097 CV     1
 OR { 1328}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1330}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.63998E-03 ppm1      8.642 ppm2      9.094 CV     1
 OR { 1330}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1331}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.64231E-03 ppm1      7.383 ppm2      9.094 CV     1
 OR { 1331}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1358}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     2.600     3.400 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.33265E-02 ppm1      8.570 ppm2      0.854 CV     1
 OR { 1358}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
 ASSI { 1383}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      4.000     2.000     2.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.70947E-03 ppm1      8.444 ppm2      8.869 CV     1
 OR { 1383}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
 ASSI { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.500     1.500 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.17363E-02 ppm1      8.363 ppm2      7.581 CV     1
 OR { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1411}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.700     1.800     1.800 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.49492E-03 ppm1      8.322 ppm2      1.476 CV     1
 OR { 1411}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
 ASSI { 1435}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      3.500     1.600     1.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.12874E-02 ppm1      8.269 ppm2      0.663 CV     1
 OR { 1435}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR { 1435}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
 ASSI { 1458}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HE1 ))
      4.300     2.300     1.700 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.53833E-03 ppm1      8.040 ppm2      3.074 CV     1
 OR { 1458}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HE2 ))
 OR { 1458}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI { 1463}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      3.700     1.700     1.700 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.12739E-02 ppm1      8.013 ppm2      1.530 CV     1
 OR { 1463}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 OR { 1463}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1477}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.900     1.900     1.900 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.18271E-02 ppm1      7.962 ppm2      3.534 CV     1
 OR { 1477}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
 ASSI { 1530}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.500     1.500     1.500 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.13472E-02 ppm1      7.584 ppm2      4.049 CV     1
 OR { 1530}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
 ASSI { 1543}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      3.600     1.600     1.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.19921E-02 ppm1      7.570 ppm2      0.672 CV     1
 OR { 1543}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1587}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.900     1.900     1.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.57771E-03 ppm1      6.543 ppm2      2.348 CV     1
 OR { 1587}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
 ASSI { 1615}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      2.500     2.500     3.500 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.75618E-02 ppm1      7.330 ppm2      1.485 CV     1
 OR { 1615}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI { 1619}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      3.600     1.600     1.600 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.13460E-02 ppm1      7.331 ppm2      8.869 CV     1
 OR { 1619}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1620}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 36   and name HB1 ))
      3.600     1.600     1.600 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.55968E-03 ppm1      6.928 ppm2      2.870 CV     1
 OR { 1620}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1620}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1621}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.62122E-03 ppm1      7.269 ppm2      2.874 CV     1
 OR { 1621}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1621}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1639}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 122  and name HB  ))
      4.000     2.000     2.000 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.90404E-03 ppm1      8.368 ppm2      2.460 CV     1
 OR { 1639}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1651}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      3.700     1.700     1.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.96716E-03 ppm1      8.368 ppm2      9.320 CV     1
 OR { 1651}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
 ASSI { 1654}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     3.200     2.800 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.94901E-03 ppm1      7.399 ppm2      1.383 CV     1
 OR { 1654}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 123  and name HD1 ))
!
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/cedric/PYP/pyp-work/talos/pG-state/pG-pred-ref.tab
!
! settings: min phiError=30.0, min psiError=30.0, errorFactor=10.0
!

! Talos derived phi restraint:
assign (resid  26 and name C)
       (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       1.0 -122 280 2

! Talos derived phi restraint:
assign (resid  27 and name C)
       (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       1.0 -114 350 2

! Talos derived phi restraint:
assign (resid  29 and name C)
       (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       1.0 -128 280 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -122 120 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -103 160 2

! Talos derived phi restraint:
assign (resid  32 and name C)
       (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       1.0 -128 300 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -99 190 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -62 100 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -70  80 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -65 110 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -67  60 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -73 180 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -112 100 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -58  60 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -128 280 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -123 400 2

! Talos derived phi restraint:
assign (resid  65 and name C)
       (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       1.0 -96 260 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -61 110 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -72 100 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -86 170 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -113 280 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -62 110 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -68 140 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -81 190 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -69  90 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -62  80 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -81 230 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -67  40 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -70 130 2

! Talos derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -67  90 2

! Talos derived phi restraint:
assign (resid  84 and name C)
       (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       1.0 -93 210 2

! Talos derived phi restraint:
assign (resid  89 and name C)
       (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       1.0 -100 160 2

! Talos derived phi restraint:
assign (resid  90 and name C)
       (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       1.0 -124 290 2

! Talos derived phi restraint:
assign (resid  91 and name C)
       (resid  92 and name N)
       (resid  92 and name CA)
       (resid  92 and name C)
       1.0 -104 240 2

! Talos derived phi restraint:
assign (resid  92 and name C)
       (resid  93 and name N)
       (resid  93 and name CA)
       (resid  93 and name C)
       1.0 -115 240 2

! Talos derived phi restraint:
assign (resid  93 and name C)
       (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       1.0 -120 290 2

! Talos derived phi restraint:
assign (resid  94 and name C)
       (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       1.0 -92 200 2

! Talos derived phi restraint:
assign (resid  95 and name C)
       (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       1.0 -107 210 2

! Talos derived phi restraint:
assign (resid  96 and name C)
       (resid  97 and name N)
       (resid  97 and name CA)
       (resid  97 and name C)
       1.0 -109 400 2

! Talos derived phi restraint:
assign (resid  97 and name C)
       (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       1.0 -108 260 2

! Talos derived phi restraint:
assign (resid 100 and name C)
       (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       1.0 -104 260 2

! Talos derived phi restraint:
assign (resid 101 and name C)
       (resid 102 and name N)
       (resid 102 and name CA)
       (resid 102 and name C)
       1.0 -72 200 2

! Talos derived phi restraint:
assign (resid 102 and name C)
       (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       1.0 -102 260 2

! Talos derived phi restraint:
assign (resid 103 and name C)
       (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       1.0 -92 110 2

! Talos derived phi restraint:
assign (resid 104 and name C)
       (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       1.0 -125 240 2

! Talos derived phi restraint:
assign (resid 105 and name C)
       (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       1.0 -104 180 2

! Talos derived phi restraint:
assign (resid 106 and name C)
       (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       1.0 -114 270 2

! Talos derived phi restraint:
assign (resid 107 and name C)
       (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       1.0 -121 140 2

! Talos derived phi restraint:
assign (resid 108 and name C)
       (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       1.0 -131 190 2

! Talos derived phi restraint:
assign (resid 109 and name C)
       (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       1.0 -124 260 2

! Talos derived phi restraint:
assign (resid 110 and name C)
       (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       1.0 -114 360 2

! Talos derived phi restraint:
assign (resid 111 and name C)
       (resid 112 and name N)
       (resid 112 and name CA)
       (resid 112 and name C)
       1.0 -99 350 2

! Talos derived phi restraint:
assign (resid 112 and name C)
       (resid 113 and name N)
       (resid 113 and name CA)
       (resid 113 and name C)
       1.0 -81 110 2

! Talos derived phi restraint:
assign (resid 116 and name C)
       (resid 117 and name N)
       (resid 117 and name CA)
       (resid 117 and name C)
       1.0 -110 390 2

! Talos derived phi restraint:
assign (resid 117 and name C)
       (resid 118 and name N)
       (resid 118 and name CA)
       (resid 118 and name C)
       1.0 -119 270 2

! Talos derived phi restraint:
assign (resid 118 and name C)
       (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       1.0 -126 170 2

! Talos derived phi restraint:
assign (resid 119 and name C)
       (resid 120 and name N)
       (resid 120 and name CA)
       (resid 120 and name C)
       1.0 -125 170 2

! Talos derived phi restraint:
assign (resid 120 and name C)
       (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       1.0 -119 200 2

! Talos derived phi restraint:
assign (resid 121 and name C)
       (resid 122 and name N)
       (resid 122 and name CA)
       (resid 122 and name C)
       1.0 -126 300 2

! Talos derived phi restraint:
assign (resid 122 and name C)
       (resid 123 and name N)
       (resid 123 and name CA)
       (resid 123 and name C)
       1.0 -141 130 2

! Talos derived phi restraint:
assign (resid 123 and name C)
       (resid 124 and name N)
       (resid 124 and name CA)
       (resid 124 and name C)
       1.0 -96 380 2

! Talos derived psi restraint:
assign (resid  27 and name N)
       (resid  27 and name CA)
       (resid  27 and name C)
       (resid  28 and name N)
       1.0 130 190 2

! Talos derived psi restraint:
assign (resid  28 and name N)
       (resid  28 and name CA)
       (resid  28 and name C)
       (resid  29 and name N)
       1.0 131 310 2

! Talos derived psi restraint:
assign (resid  30 and name N)
       (resid  30 and name CA)
       (resid  30 and name C)
       (resid  31 and name N)
       1.0 145 200 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 129 140 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 135 150 2

! Talos derived psi restraint:
assign (resid  33 and name N)
       (resid  33 and name CA)
       (resid  33 and name C)
       (resid  34 and name N)
       1.0 136 210 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 134 300 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -42 130 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -42  50 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -19 210 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -46 130 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -34 100 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -34 130 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 144 240 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -43 180 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 141 200 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 130 150 2

! Talos derived psi restraint:
assign (resid  66 and name N)
       (resid  66 and name CA)
       (resid  66 and name C)
       (resid  67 and name N)
       1.0 127 110 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 -18 100 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 -21 160 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -20 330 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 139 190 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -17 110 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -31 150 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -17 270 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -35 120 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -43  90 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -20 210 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -40  80 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -39  90 2

! Talos derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 -28 140 2

! Talos derived psi restraint:
assign (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       (resid  86 and name N)
       1.0 -20 220 2

! Talos derived psi restraint:
assign (resid  90 and name N)
       (resid  90 and name CA)
       (resid  90 and name C)
       (resid  91 and name N)
       1.0 146 200 2

! Talos derived psi restraint:
assign (resid  91 and name N)
       (resid  91 and name CA)
       (resid  91 and name C)
       (resid  92 and name N)
       1.0 138 170 2

! Talos derived psi restraint:
assign (resid  92 and name N)
       (resid  92 and name CA)
       (resid  92 and name C)
       (resid  93 and name N)
       1.0 127 140 2

! Talos derived psi restraint:
assign (resid  93 and name N)
       (resid  93 and name CA)
       (resid  93 and name C)
       (resid  94 and name N)
       1.0 149 210 2

! Talos derived psi restraint:
assign (resid  94 and name N)
       (resid  94 and name CA)
       (resid  94 and name C)
       (resid  95 and name N)
       1.0 147 190 2

! Talos derived psi restraint:
assign (resid  95 and name N)
       (resid  95 and name CA)
       (resid  95 and name C)
       (resid  96 and name N)
       1.0 127 180 2

! Talos derived psi restraint:
assign (resid  96 and name N)
       (resid  96 and name CA)
       (resid  96 and name C)
       (resid  97 and name N)
       1.0 141 310 2

! Talos derived psi restraint:
assign (resid  97 and name N)
       (resid  97 and name CA)
       (resid  97 and name C)
       (resid  98 and name N)
       1.0 137 200 2

! Talos derived psi restraint:
assign (resid  98 and name N)
       (resid  98 and name CA)
       (resid  98 and name C)
       (resid  99 and name N)
       1.0 147 170 2

! Talos derived psi restraint:
assign (resid 101 and name N)
       (resid 101 and name CA)
       (resid 101 and name C)
       (resid 102 and name N)
       1.0 140 270 2

! Talos derived psi restraint:
assign (resid 102 and name N)
       (resid 102 and name CA)
       (resid 102 and name C)
       (resid 103 and name N)
       1.0 132  80 2

! Talos derived psi restraint:
assign (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       (resid 104 and name N)
       1.0 143 160 2

! Talos derived psi restraint:
assign (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       (resid 105 and name N)
       1.0 129  80 2

! Talos derived psi restraint:
assign (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       (resid 106 and name N)
       1.0 152 160 2

! Talos derived psi restraint:
assign (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       (resid 107 and name N)
       1.0 121  90 2

! Talos derived psi restraint:
assign (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       (resid 108 and name N)
       1.0 137 140 2

! Talos derived psi restraint:
assign (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       (resid 109 and name N)
       1.0 144 120 2

! Talos derived psi restraint:
assign (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       (resid 110 and name N)
       1.0 143 160 2

! Talos derived psi restraint:
assign (resid 110 and name N)
       (resid 110 and name CA)
       (resid 110 and name C)
       (resid 111 and name N)
       1.0 141 200 2

! Talos derived psi restraint:
assign (resid 111 and name N)
       (resid 111 and name CA)
       (resid 111 and name C)
       (resid 112 and name N)
       1.0 126 220 2

! Talos derived psi restraint:
assign (resid 112 and name N)
       (resid 112 and name CA)
       (resid 112 and name C)
       (resid 113 and name N)
       1.0 122 140 2

! Talos derived psi restraint:
assign (resid 113 and name N)
       (resid 113 and name CA)
       (resid 113 and name C)
       (resid 114 and name N)
       1.0 -32 140 2

! Talos derived psi restraint:
assign (resid 117 and name N)
       (resid 117 and name CA)
       (resid 117 and name C)
       (resid 118 and name N)
       1.0 140 320 2

! Talos derived psi restraint:
assign (resid 118 and name N)
       (resid 118 and name CA)
       (resid 118 and name C)
       (resid 119 and name N)
       1.0 127 240 2

! Talos derived psi restraint:
assign (resid 119 and name N)
       (resid 119 and name CA)
       (resid 119 and name C)
       (resid 120 and name N)
       1.0 136 220 2

! Talos derived psi restraint:
assign (resid 120 and name N)
       (resid 120 and name CA)
       (resid 120 and name C)
       (resid 121 and name N)
       1.0 128 180 2

! Talos derived psi restraint:
assign (resid 121 and name N)
       (resid 121 and name CA)
       (resid 121 and name C)
       (resid 122 and name N)
       1.0 143 200 2

! Talos derived psi restraint:
assign (resid 122 and name N)
       (resid 122 and name CA)
       (resid 122 and name C)
       (resid 123 and name N)
       1.0 143 130 2

! Talos derived psi restraint:
assign (resid 123 and name N)
       (resid 123 and name CA)
       (resid 123 and name C)
       (resid 124 and name N)
       1.0 153 170 2

! Talos derived psi restraint:
assign (resid 124 and name N)
       (resid 124 and name CA)
       (resid 124 and name C)
       (resid 125 and name N)
       1.0 121 210 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LEU  26           H        LEU  26 -11.788  -7.585   9.607
    2    HA   LEU  26           HA       LEU  26 -11.254  -5.748  11.054
    3   1HB   LEU  26          1HB       LEU  26  -9.259  -6.456   8.910
    4   2HB   LEU  26          2HB       LEU  26  -8.832  -5.413  10.244
    5    HG   LEU  26           HG       LEU  26  -8.062  -7.555  10.762
    6   1HD1  LEU  26          1HD1      LEU  26  -9.317  -8.121  12.798
    7   2HD1  LEU  26          2HD1      LEU  26 -10.616  -7.054  12.265
    8   3HD1  LEU  26          3HD1      LEU  26  -9.026  -6.388  12.637
    9   1HD2  LEU  26          1HD2      LEU  26  -9.451  -9.554  10.811
   10   2HD2  LEU  26          2HD2      LEU  26  -9.412  -8.847   9.194
   11   3HD2  LEU  26          3HD2      LEU  26 -10.827  -8.619  10.224
   12    H    ALA  27           H        ALA  27  -9.660  -3.690  10.826
   13    HA   ALA  27           HA       ALA  27 -10.954  -1.871   8.902
   14   1HB   ALA  27          1HB       ALA  27 -11.085  -0.151  10.620
   15   2HB   ALA  27          2HB       ALA  27 -10.386  -1.261  11.801
   16   3HB   ALA  27          3HB       ALA  27 -11.976  -1.593  11.112
   17    H    PHE  28           H        PHE  28  -8.131  -2.655  10.847
   18    HA   PHE  28           HA       PHE  28  -6.582  -0.535   9.590
   19   1HB   PHE  28          1HB       PHE  28  -5.914  -2.622  11.658
   20   2HB   PHE  28          2HB       PHE  28  -4.683  -1.599  10.926
   21    HD1  PHE  28           HD1      PHE  28  -5.233   0.980  10.996
   22    HD2  PHE  28           HD2      PHE  28  -6.871  -1.932  13.630
   23    HE1  PHE  28           HE1      PHE  28  -5.694   2.744  12.649
   24    HE2  PHE  28           HE2      PHE  28  -7.339  -0.175  15.288
   25    HZ   PHE  28           HZ       PHE  28  -6.752   2.166  14.799
   26    H    GLY  29           H        GLY  29  -5.057  -0.816   8.043
   27   1HA   GLY  29          1HA       GLY  29  -5.151  -3.423   6.684
   28   2HA   GLY  29          2HA       GLY  29  -4.801  -1.882   5.912
   29    H    ALA  30           H        ALA  30  -3.303  -4.361   5.853
   30    HA   ALA  30           HA       ALA  30  -0.701  -3.256   6.503
   31   1HB   ALA  30          1HB       ALA  30   0.070  -5.313   7.593
   32   2HB   ALA  30          2HB       ALA  30  -1.556  -5.986   7.481
   33   3HB   ALA  30          3HB       ALA  30  -1.254  -4.576   8.496
   34    H    ILE  31           H        ILE  31   0.115  -3.228   4.507
   35    HA   ILE  31           HA       ILE  31  -0.333  -5.581   2.789
   36    HB   ILE  31           HB       ILE  31   0.235  -2.881   1.977
   37   1HG1  ILE  31          1HG1      ILE  31  -2.422  -4.288   2.213
   38   2HG1  ILE  31          2HG1      ILE  31  -1.874  -2.980   3.256
   39   1HG2  ILE  31          1HG2      ILE  31  -0.679  -3.733  -0.148
   40   2HG2  ILE  31          2HG2      ILE  31  -0.801  -5.339   0.570
   41   3HG2  ILE  31          3HG2      ILE  31   0.780  -4.592   0.344
   42   1HD1  ILE  31          1HD1      ILE  31  -1.802  -1.483   1.322
   43   2HD1  ILE  31          2HD1      ILE  31  -3.408  -2.169   1.567
   44   3HD1  ILE  31          3HD1      ILE  31  -2.366  -2.800   0.292
   45    H    GLN  32           H        GLN  32   1.442  -6.128   1.360
   46    HA   GLN  32           HA       GLN  32   4.041  -5.024   2.206
   47   1HB   GLN  32          1HB       GLN  32   3.625  -7.373   2.965
   48   2HB   GLN  32          2HB       GLN  32   3.465  -7.853   1.283
   49   1HG   GLN  32          1HG       GLN  32   5.759  -7.312   0.850
   50   2HG   GLN  32          2HG       GLN  32   5.949  -6.636   2.467
   51   1HE2  GLN  32          1HE2      GLN  32   7.616  -8.049   2.955
   52   2HE2  GLN  32          2HE2      GLN  32   7.347  -9.724   3.276
   53    H    LEU  33           H        LEU  33   4.792  -3.769   0.593
   54    HA   LEU  33           HA       LEU  33   4.296  -4.627  -2.185
   55   1HB   LEU  33          1HB       LEU  33   5.112  -1.845  -1.399
   56   2HB   LEU  33          2HB       LEU  33   4.439  -2.382  -2.919
   57    HG   LEU  33           HG       LEU  33   2.963  -2.084  -0.307
   58   1HD1  LEU  33          1HD1      LEU  33   2.741  -0.613  -2.924
   59   2HD1  LEU  33          2HD1      LEU  33   3.432   0.016  -1.428
   60   3HD1  LEU  33          3HD1      LEU  33   1.713  -0.369  -1.511
   61   1HD2  LEU  33          1HD2      LEU  33   0.960  -2.721  -1.566
   62   2HD2  LEU  33          2HD2      LEU  33   2.139  -4.032  -1.543
   63   3HD2  LEU  33          3HD2      LEU  33   1.954  -3.039  -2.988
   64    H    ASP  34           H        ASP  34   6.064  -4.544  -3.664
   65    HA   ASP  34           HA       ASP  34   8.672  -4.547  -2.308
   66   1HB   ASP  34          1HB       ASP  34   9.416  -6.157  -3.758
   67   2HB   ASP  34          2HB       ASP  34   7.700  -6.546  -3.749
   68    H    GLY  35           H        GLY  35  10.538  -3.873  -3.820
   69   1HA   GLY  35          1HA       GLY  35  10.189  -1.108  -4.304
   70   2HA   GLY  35          2HA       GLY  35  11.614  -2.051  -4.696
   71    H    ASP  36           H        ASP  36   9.374  -3.697  -6.311
   72    HA   ASP  36           HA       ASP  36   9.799  -2.206  -8.779
   73   1HB   ASP  36          1HB       ASP  36  10.051  -4.712  -8.680
   74   2HB   ASP  36          2HB       ASP  36   8.317  -4.818  -8.412
   75    H    GLY  37           H        GLY  37   7.146  -3.389  -6.765
   76   1HA   GLY  37          1HA       GLY  37   5.367  -1.564  -6.541
   77   2HA   GLY  37          2HA       GLY  37   5.287  -1.679  -8.293
   78    H    ASN  38           H        ASN  38   5.940  -4.631  -6.742
   79    HA   ASN  38           HA       ASN  38   3.286  -5.595  -7.496
   80   1HB   ASN  38          1HB       ASN  38   5.867  -6.977  -6.787
   81   2HB   ASN  38          2HB       ASN  38   4.343  -7.855  -6.794
   82   1HD2  ASN  38          1HD2      ASN  38   5.074  -5.254  -8.994
   83   2HD2  ASN  38          2HD2      ASN  38   5.193  -6.226 -10.419
   84    H    ILE  39           H        ILE  39   1.924  -6.670  -6.088
   85    HA   ILE  39           HA       ILE  39   2.308  -6.005  -3.275
   86    HB   ILE  39           HB       ILE  39   0.104  -7.376  -4.492
   87   1HG1  ILE  39          1HG1      ILE  39   0.505  -4.411  -4.134
   88   2HG1  ILE  39          2HG1      ILE  39   0.606  -5.252  -5.678
   89   1HG2  ILE  39          1HG2      ILE  39   0.486  -5.696  -2.007
   90   2HG2  ILE  39          2HG2      ILE  39   0.276  -7.447  -2.055
   91   3HG2  ILE  39          3HG2      ILE  39  -1.043  -6.386  -2.552
   92   1HD1  ILE  39          1HD1      ILE  39  -1.821  -5.092  -3.910
   93   2HD1  ILE  39          2HD1      ILE  39  -1.724  -5.933  -5.458
   94   3HD1  ILE  39          3HD1      ILE  39  -1.548  -4.179  -5.394
   95    H    LEU  40           H        LEU  40   2.413  -7.525  -1.669
   96    HA   LEU  40           HA       LEU  40   2.931 -10.289  -2.510
   97   1HB   LEU  40          1HB       LEU  40   3.710  -8.656  -0.111
   98   2HB   LEU  40          2HB       LEU  40   3.885 -10.396  -0.128
   99    HG   LEU  40           HG       LEU  40   5.993  -9.207  -0.601
  100   1HD1  LEU  40          1HD1      LEU  40   6.637 -10.521  -2.560
  101   2HD1  LEU  40          2HD1      LEU  40   4.935 -10.853  -2.889
  102   3HD1  LEU  40          3HD1      LEU  40   5.686 -11.465  -1.414
  103   1HD2  LEU  40          1HD2      LEU  40   6.307  -8.148  -2.812
  104   2HD2  LEU  40          2HD2      LEU  40   5.192  -7.264  -1.770
  105   3HD2  LEU  40          3HD2      LEU  40   4.564  -8.265  -3.081
  106    H    GLN  41           H        GLN  41   1.714  -8.668   0.395
  107    HA   GLN  41           HA       GLN  41  -0.491 -10.597   0.510
  108   1HB   GLN  41          1HB       GLN  41   1.265  -9.814   2.846
  109   2HB   GLN  41          2HB       GLN  41  -0.124 -10.891   2.909
  110   1HG   GLN  41          1HG       GLN  41   1.006 -12.523   1.567
  111   2HG   GLN  41          2HG       GLN  41   2.357 -11.424   1.294
  112   1HE2  GLN  41          1HE2      GLN  41   3.823 -11.037   2.952
  113   2HE2  GLN  41          2HE2      GLN  41   3.918 -12.054   4.348
  114    H    TYR  42           H        TYR  42  -2.372  -9.687   0.924
  115    HA   TYR  42           HA       TYR  42  -2.517  -6.942   1.908
  116   1HB   TYR  42          1HB       TYR  42  -4.386  -8.781   0.509
  117   2HB   TYR  42          2HB       TYR  42  -5.103  -7.623   1.615
  118    HD1  TYR  42           HD1      TYR  42  -6.317  -6.686  -0.300
  119    HD2  TYR  42           HD2      TYR  42  -2.063  -6.617  -0.118
  120    HE1  TYR  42           HE1      TYR  42  -6.280  -4.958  -2.046
  121    HE2  TYR  42           HE2      TYR  42  -2.022  -4.888  -1.868
  122    HH   TYR  42           HH       TYR  42  -4.788  -3.185  -2.851
  123    H    ASN  43           H        ASN  43  -4.679  -6.750   3.350
  124    HA   ASN  43           HA       ASN  43  -4.431  -8.693   5.554
  125   1HB   ASN  43          1HB       ASN  43  -3.633  -6.265   5.928
  126   2HB   ASN  43          2HB       ASN  43  -5.330  -5.821   5.863
  127   1HD2  ASN  43          1HD2      ASN  43  -3.503  -5.472   8.031
  128   2HD2  ASN  43          2HD2      ASN  43  -4.135  -6.369   9.388
  129    H    ALA  44           H        ALA  44  -6.509  -8.800   6.862
  130    HA   ALA  44           HA       ALA  44  -8.671  -9.348   5.052
  131   1HB   ALA  44          1HB       ALA  44  -9.816 -10.238   6.996
  132   2HB   ALA  44          2HB       ALA  44  -8.596  -9.538   8.060
  133   3HB   ALA  44          3HB       ALA  44  -8.155 -10.826   6.938
  134    H    ALA  45           H        ALA  45  -7.733  -6.495   5.814
  135    HA   ALA  45           HA       ALA  45 -10.309  -5.364   6.553
  136   1HB   ALA  45          1HB       ALA  45  -7.688  -4.002   5.934
  137   2HB   ALA  45          2HB       ALA  45  -8.309  -4.376   7.541
  138   3HB   ALA  45          3HB       ALA  45  -9.149  -3.208   6.521
  139    H    GLU  46           H        GLU  46  -8.002  -5.269   3.831
  140    HA   GLU  46           HA       GLU  46  -9.684  -3.716   2.150
  141   1HB   GLU  46          1HB       GLU  46  -7.627  -5.589   1.034
  142   2HB   GLU  46          2HB       GLU  46  -8.082  -3.990   0.474
  143   1HG   GLU  46          1HG       GLU  46  -6.331  -4.721   2.794
  144   2HG   GLU  46          2HG       GLU  46  -5.911  -3.817   1.343
  145    HE2  GLU  46           HE2      GLU  46  -7.788  -1.309   1.444
  146    H    GLY  47           H        GLY  47  -9.348  -7.115   2.790
  147   1HA   GLY  47          1HA       GLY  47 -10.994  -7.863   0.513
  148   2HA   GLY  47          2HA       GLY  47 -10.285  -8.959   1.693
  149    H    ASP  48           H        ASP  48 -11.615  -6.653   3.524
  150    HA   ASP  48           HA       ASP  48 -13.841  -8.376   4.185
  151   1HB   ASP  48          1HB       ASP  48 -12.391  -7.346   5.932
  152   2HB   ASP  48          2HB       ASP  48 -13.000  -5.765   5.461
  153    H    ILE  49           H        ILE  49 -13.529  -4.869   3.557
  154    HA   ILE  49           HA       ILE  49 -16.342  -4.807   2.841
  155    HB   ILE  49           HB       ILE  49 -15.837  -2.480   2.603
  156   1HG1  ILE  49          1HG1      ILE  49 -13.371  -3.405   4.039
  157   2HG1  ILE  49          2HG1      ILE  49 -13.479  -2.445   2.568
  158   1HG2  ILE  49          1HG2      ILE  49 -17.192  -3.476   4.332
  159   2HG2  ILE  49          2HG2      ILE  49 -16.139  -2.253   5.042
  160   3HG2  ILE  49          3HG2      ILE  49 -15.745  -3.964   5.217
  161   1HD1  ILE  49          1HD1      ILE  49 -14.350  -1.546   5.296
  162   2HD1  ILE  49          2HD1      ILE  49 -14.414  -0.590   3.816
  163   3HD1  ILE  49          3HD1      ILE  49 -12.857  -1.083   4.481
  164    H    THR  50           H        THR  50 -13.191  -3.941   1.395
  165    HA   THR  50           HA       THR  50 -14.313  -3.076  -1.064
  166    HB   THR  50           HB       THR  50 -11.720  -4.205  -0.867
  167    HG1  THR  50           HG1      THR  50 -11.179  -2.103   0.123
  168   1HG2  THR  50          1HG2      THR  50 -12.463  -3.209  -2.947
  169   2HG2  THR  50          2HG2      THR  50 -11.231  -2.198  -2.189
  170   3HG2  THR  50          3HG2      THR  50 -12.932  -1.738  -2.094
  171    H    GLY  51           H        GLY  51 -12.497  -6.009  -0.169
  172   1HA   GLY  51          1HA       GLY  51 -13.387  -8.180  -0.807
  173   2HA   GLY  51          2HA       GLY  51 -13.983  -7.433  -2.283
  174    H    ARG  52           H        ARG  52 -10.789  -6.998  -0.848
  175    HA   ARG  52           HA       ARG  52  -9.657  -8.481  -3.125
  176   1HB   ARG  52          1HB       ARG  52  -8.659  -5.987  -1.761
  177   2HB   ARG  52          2HB       ARG  52  -7.576  -7.021  -2.679
  178   1HG   ARG  52          1HG       ARG  52  -8.272  -5.226  -4.087
  179   2HG   ARG  52          2HG       ARG  52  -9.051  -6.701  -4.660
  180   1HD   ARG  52          1HD       ARG  52 -11.083  -6.050  -3.395
  181   2HD   ARG  52          2HD       ARG  52 -10.295  -4.531  -2.979
  182    HE   ARG  52           HE       ARG  52 -10.352  -3.920  -5.303
  183   1HH1  ARG  52          1HH1      ARG  52 -12.125  -6.847  -4.505
  184   2HH1  ARG  52          2HH1      ARG  52 -13.231  -6.699  -5.838
  185   1HH2  ARG  52          1HH2      ARG  52 -11.858  -3.705  -7.042
  186   2HH2  ARG  52          2HH2      ARG  52 -13.103  -4.899  -7.250
  187    H    ASP  53           H        ASP  53  -9.337 -10.435  -2.220
  188    HA   ASP  53           HA       ASP  53  -8.600 -10.893   0.462
  189   1HB   ASP  53          1HB       ASP  53  -8.241 -12.713  -1.931
  190   2HB   ASP  53          2HB       ASP  53  -8.159 -13.210  -0.245
  191    HA   PRO  54           HA       PRO  54  -4.307 -10.146   0.751
  192   1HB   PRO  54          1HB       PRO  54  -4.016 -12.832   1.994
  193   2HB   PRO  54          2HB       PRO  54  -3.568 -11.242   2.623
  194   1HG   PRO  54          1HG       PRO  54  -5.709 -12.502   3.563
  195   2HG   PRO  54          2HG       PRO  54  -5.735 -10.749   3.293
  196   1HD   PRO  54          1HD       PRO  54  -6.916 -12.940   1.632
  197   2HD   PRO  54          2HD       PRO  54  -7.582 -11.343   2.032
  198    H    LYS  55           H        LYS  55  -5.363 -13.016  -0.857
  199    HA   LYS  55           HA       LYS  55  -2.653 -13.503  -1.888
  200   1HB   LYS  55          1HB       LYS  55  -5.069 -15.304  -1.731
  201   2HB   LYS  55          2HB       LYS  55  -3.584 -15.733  -2.568
  202   1HG   LYS  55          1HG       LYS  55  -2.341 -15.645  -0.508
  203   2HG   LYS  55          2HG       LYS  55  -3.761 -15.059   0.361
  204   1HD   LYS  55          1HD       LYS  55  -4.911 -17.136   0.001
  205   2HD   LYS  55          2HD       LYS  55  -3.629 -17.711  -1.068
  206   1HE   LYS  55          1HE       LYS  55  -3.275 -17.069   1.857
  207   2HE   LYS  55          2HE       LYS  55  -3.531 -18.688   1.207
  208   1HZ   LYS  55          1HZ       LYS  55  -1.492 -18.385  -0.122
  209   2HZ   LYS  55          2HZ       LYS  55  -1.204 -18.342   1.549
  210   3HZ   LYS  55          3HZ       LYS  55  -1.219 -16.900   0.653
  211    H    GLN  56           H        GLN  56  -5.208 -11.753  -2.797
  212    HA   GLN  56           HA       GLN  56  -5.475 -12.789  -5.512
  213   1HB   GLN  56          1HB       GLN  56  -6.803 -10.441  -4.153
  214   2HB   GLN  56          2HB       GLN  56  -7.165 -10.999  -5.779
  215   1HG   GLN  56          1HG       GLN  56  -7.582 -12.538  -3.230
  216   2HG   GLN  56          2HG       GLN  56  -8.829 -11.770  -4.208
  217   1HE2  GLN  56          1HE2      GLN  56  -8.570 -14.548  -3.441
  218   2HE2  GLN  56          2HE2      GLN  56  -8.523 -15.448  -4.920
  219    H    VAL  57           H        VAL  57  -3.399 -10.745  -3.936
  220    HA   VAL  57           HA       VAL  57  -3.141  -8.926  -6.232
  221    HB   VAL  57           HB       VAL  57  -1.917  -7.605  -4.661
  222   1HG1  VAL  57          1HG1      VAL  57  -4.878  -8.166  -4.420
  223   2HG1  VAL  57          2HG1      VAL  57  -4.103  -7.040  -5.536
  224   3HG1  VAL  57          3HG1      VAL  57  -4.076  -6.721  -3.802
  225   1HG2  VAL  57          1HG2      VAL  57  -3.347  -9.443  -2.749
  226   2HG2  VAL  57          2HG2      VAL  57  -2.551  -7.926  -2.329
  227   3HG2  VAL  57          3HG2      VAL  57  -1.600  -9.284  -2.932
  228    H    ILE  58           H        ILE  58  -1.790 -11.566  -5.932
  229    HA   ILE  58           HA       ILE  58   0.955 -10.780  -5.379
  230    HB   ILE  58           HB       ILE  58  -0.107 -13.312  -6.230
  231   1HG1  ILE  58          1HG1      ILE  58   0.484 -12.228  -3.477
  232   2HG1  ILE  58          2HG1      ILE  58  -1.121 -12.523  -4.135
  233   1HG2  ILE  58          1HG2      ILE  58   2.284 -13.018  -6.648
  234   2HG2  ILE  58          2HG2      ILE  58   2.015 -14.130  -5.307
  235   3HG2  ILE  58          3HG2      ILE  58   2.513 -12.469  -4.988
  236   1HD1  ILE  58          1HD1      ILE  58   0.985 -14.608  -3.624
  237   2HD1  ILE  58          2HD1      ILE  58  -0.622 -14.905  -4.286
  238   3HD1  ILE  58          3HD1      ILE  58  -0.444 -14.305  -2.636
  239    H    GLY  59           H        GLY  59   2.418 -10.291  -6.899
  240   1HA   GLY  59          1HA       GLY  59   3.394 -10.184  -9.010
  241   2HA   GLY  59          2HA       GLY  59   2.130 -11.255  -9.604
  242    H    LYS  60           H        LYS  60   0.869  -8.766  -7.816
  243    HA   LYS  60           HA       LYS  60  -0.051  -7.496 -10.290
  244   1HB   LYS  60          1HB       LYS  60  -1.310  -8.167  -7.685
  245   2HB   LYS  60          2HB       LYS  60  -1.841  -6.691  -8.488
  246   1HG   LYS  60          1HG       LYS  60  -2.309  -8.033 -10.524
  247   2HG   LYS  60          2HG       LYS  60  -1.930  -9.484  -9.590
  248   1HD   LYS  60          1HD       LYS  60  -3.725  -8.961  -8.031
  249   2HD   LYS  60          2HD       LYS  60  -4.086  -7.482  -8.922
  250   1HE   LYS  60          1HE       LYS  60  -4.248 -10.267 -10.059
  251   2HE   LYS  60          2HE       LYS  60  -5.622  -9.352  -9.444
  252   1HZ   LYS  60          1HZ       LYS  60  -5.583  -9.100 -11.781
  253   2HZ   LYS  60          2HZ       LYS  60  -3.935  -8.708 -11.798
  254   3HZ   LYS  60          3HZ       LYS  60  -5.052  -7.621 -11.135
  255    H    ASN  61           H        ASN  61   0.118  -5.348 -10.566
  256    HA   ASN  61           HA       ASN  61   1.888  -3.915  -8.791
  257   1HB   ASN  61          1HB       ASN  61   2.024  -3.604 -11.242
  258   2HB   ASN  61          2HB       ASN  61   0.400  -2.921 -11.235
  259   1HD2  ASN  61          1HD2      ASN  61   3.737  -2.385 -10.513
  260   2HD2  ASN  61          2HD2      ASN  61   3.596  -0.694 -10.166
  261    H    PHE  62           H        PHE  62   1.190  -3.005  -7.008
  262    HA   PHE  62           HA       PHE  62  -1.460  -2.705  -6.229
  263   1HB   PHE  62          1HB       PHE  62   0.451  -2.717  -4.666
  264   2HB   PHE  62          2HB       PHE  62   0.945  -1.140  -5.265
  265    HD1  PHE  62           HD1      PHE  62  -0.215   0.864  -4.602
  266    HD2  PHE  62           HD2      PHE  62  -1.515  -2.957  -3.258
  267    HE1  PHE  62           HE1      PHE  62  -1.633   1.947  -2.909
  268    HE2  PHE  62           HE2      PHE  62  -2.934  -1.881  -1.561
  269    HZ   PHE  62           HZ       PHE  62  -2.998   0.576  -1.387
  270    H    PHE  63           H        PHE  63   0.682  -0.429  -7.812
  271    HA   PHE  63           HA       PHE  63  -0.970   1.828  -7.156
  272   1HB   PHE  63          1HB       PHE  63   1.447   1.730  -8.959
  273   2HB   PHE  63          2HB       PHE  63   0.770   3.145  -8.157
  274    HD1  PHE  63           HD1      PHE  63   2.953   0.288  -7.846
  275    HD2  PHE  63           HD2      PHE  63   0.937   3.348  -5.683
  276    HE1  PHE  63           HE1      PHE  63   4.425  -0.114  -5.915
  277    HE2  PHE  63           HE2      PHE  63   2.406   2.953  -3.750
  278    HZ   PHE  63           HZ       PHE  63   4.150   1.219  -3.863
  279    H    LYS  64           H        LYS  64  -1.157  -0.460  -9.556
  280    HA   LYS  64           HA       LYS  64  -2.568   1.421 -11.311
  281   1HB   LYS  64          1HB       LYS  64  -0.530  -0.617 -12.164
  282   2HB   LYS  64          2HB       LYS  64  -1.665   0.137 -13.275
  283   1HG   LYS  64          1HG       LYS  64  -0.764   2.343 -12.655
  284   2HG   LYS  64          2HG       LYS  64   0.425   1.537 -11.628
  285   1HD   LYS  64          1HD       LYS  64   1.366   0.410 -13.545
  286   2HD   LYS  64          2HD       LYS  64   0.112   1.085 -14.587
  287   1HE   LYS  64          1HE       LYS  64   2.110   2.729 -13.042
  288   2HE   LYS  64          2HE       LYS  64   2.307   2.263 -14.732
  289   1HZ   LYS  64          1HZ       LYS  64  -0.005   3.821 -13.700
  290   2HZ   LYS  64          2HZ       LYS  64   0.379   3.504 -15.325
  291   3HZ   LYS  64          3HZ       LYS  64   1.374   4.518 -14.402
  292    H    ASP  65           H        ASP  65  -2.086  -2.000 -10.433
  293    HA   ASP  65           HA       ASP  65  -4.382  -2.689 -12.095
  294   1HB   ASP  65          1HB       ASP  65  -2.205  -4.008 -12.083
  295   2HB   ASP  65          2HB       ASP  65  -2.672  -4.591 -10.491
  296    H    VAL  66           H        VAL  66  -3.631  -2.255  -8.714
  297    HA   VAL  66           HA       VAL  66  -6.344  -3.251  -8.115
  298    HB   VAL  66           HB       VAL  66  -4.317  -3.263  -6.127
  299   1HG1  VAL  66          1HG1      VAL  66  -5.686  -5.154  -5.373
  300   2HG1  VAL  66          2HG1      VAL  66  -6.740  -4.938  -6.770
  301   3HG1  VAL  66          3HG1      VAL  66  -6.635  -3.677  -5.541
  302   1HG2  VAL  66          1HG2      VAL  66  -3.700  -5.531  -6.737
  303   2HG2  VAL  66          2HG2      VAL  66  -3.231  -4.383  -7.990
  304   3HG2  VAL  66          3HG2      VAL  66  -4.652  -5.403  -8.216
  305    H    ALA  67           H        ALA  67  -4.874  -0.553  -8.520
  306    HA   ALA  67           HA       ALA  67  -6.506   1.092  -7.011
  307   1HB   ALA  67          1HB       ALA  67  -5.053   1.955  -5.257
  308   2HB   ALA  67          2HB       ALA  67  -3.795   0.804  -5.706
  309   3HB   ALA  67          3HB       ALA  67  -5.318   0.226  -5.031
  310    HA   PRO  68           HA       PRO  68  -3.761   2.926 -10.274
  311   1HB   PRO  68          1HB       PRO  68  -6.159   3.807 -11.632
  312   2HB   PRO  68          2HB       PRO  68  -4.947   2.648 -12.174
  313   1HG   PRO  68          1HG       PRO  68  -7.510   1.968 -11.508
  314   2HG   PRO  68          2HG       PRO  68  -6.135   0.857 -11.402
  315   1HD   PRO  68          1HD       PRO  68  -7.485   2.414  -9.235
  316   2HD   PRO  68          2HD       PRO  68  -6.859   0.751  -9.208
  317    H    CYS  69           H        CYS  69  -5.449   4.193  -7.821
  318    HA   CYS  69           HA       CYS  69  -5.326   6.926  -8.854
  319   1HB   CYS  69          1HB       CYS  69  -6.543   7.649  -6.928
  320   2HB   CYS  69          2HB       CYS  69  -7.347   6.215  -7.544
  321    H    THR  70           H        THR  70  -3.138   4.859  -7.697
  322    HA   THR  70           HA       THR  70  -2.314   6.459  -5.380
  323    HB   THR  70           HB       THR  70  -1.100   4.599  -4.776
  324    HG1  THR  70           HG1      THR  70  -2.561   3.090  -6.647
  325   1HG2  THR  70          1HG2      THR  70  -3.062   3.297  -4.113
  326   2HG2  THR  70          2HG2      THR  70  -4.046   4.219  -5.250
  327   3HG2  THR  70          3HG2      THR  70  -3.301   5.027  -3.871
  328    H    ASP  71           H        ASP  71  -1.197   5.221  -8.481
  329    HA   ASP  71           HA       ASP  71   1.565   5.713  -7.885
  330   1HB   ASP  71          1HB       ASP  71   2.067   5.123 -10.158
  331   2HB   ASP  71          2HB       ASP  71   0.885   3.989  -9.529
  332    H    SER  72           H        SER  72   1.379   7.807  -7.092
  333    HA   SER  72           HA       SER  72   1.860   9.839  -9.090
  334   1HB   SER  72          1HB       SER  72  -0.404  10.073  -7.079
  335   2HB   SER  72          2HB       SER  72   0.205  11.411  -8.051
  336    HG   SER  72           HG       SER  72  -0.406   9.191  -9.535
  337    HA   PRO  73           HA       PRO  73   4.863  11.347  -6.377
  338   1HB   PRO  73          1HB       PRO  73   4.336  13.993  -5.877
  339   2HB   PRO  73          2HB       PRO  73   5.018  13.376  -7.387
  340   1HG   PRO  73          1HG       PRO  73   2.182  14.074  -6.735
  341   2HG   PRO  73          2HG       PRO  73   3.116  14.436  -8.199
  342   1HD   PRO  73          1HD       PRO  73   1.348  12.432  -8.142
  343   2HD   PRO  73          2HD       PRO  73   2.876  12.284  -9.032
  344    H    GLU  74           H        GLU  74   1.665  11.548  -5.069
  345    HA   GLU  74           HA       GLU  74   2.675  12.456  -2.479
  346   1HB   GLU  74          1HB       GLU  74   0.419  12.806  -1.802
  347   2HB   GLU  74          2HB       GLU  74   0.584  13.456  -3.424
  348   1HG   GLU  74          1HG       GLU  74  -0.669  10.818  -2.693
  349   2HG   GLU  74          2HG       GLU  74  -1.530  12.292  -3.128
  350    H    PHE  75           H        PHE  75   1.260   9.595  -3.975
  351    HA   PHE  75           HA       PHE  75   1.664   8.164  -1.435
  352   1HB   PHE  75          1HB       PHE  75  -0.582   7.987  -2.460
  353   2HB   PHE  75          2HB       PHE  75   0.143   7.281  -3.900
  354    HD1  PHE  75           HD1      PHE  75   0.835   4.992  -3.943
  355    HD2  PHE  75           HD2      PHE  75  -0.640   6.734  -0.354
  356    HE1  PHE  75           HE1      PHE  75   0.631   2.755  -2.943
  357    HE2  PHE  75           HE2      PHE  75  -0.847   4.500   0.651
  358    HZ   PHE  75           HZ       PHE  75  -0.210   2.505  -0.644
  359    H    TYR  76           H        TYR  76   1.889   7.288  -4.875
  360    HA   TYR  76           HA       TYR  76   3.796   5.265  -4.502
  361   1HB   TYR  76          1HB       TYR  76   2.409   5.375  -6.497
  362   2HB   TYR  76          2HB       TYR  76   3.137   6.908  -6.956
  363    HD1  TYR  76           HD1      TYR  76   4.742   6.861  -8.592
  364    HD2  TYR  76           HD2      TYR  76   4.207   3.407  -6.175
  365    HE1  TYR  76           HE1      TYR  76   6.425   5.672  -9.932
  366    HE2  TYR  76           HE2      TYR  76   5.889   2.204  -7.503
  367    HH   TYR  76           HH       TYR  76   6.881   2.326  -9.775
  368    H    GLY  77           H        GLY  77   4.146   8.682  -5.322
  369   1HA   GLY  77          1HA       GLY  77   6.874   8.740  -5.887
  370   2HA   GLY  77          2HA       GLY  77   5.956  10.088  -5.230
  371    H    LYS  78           H        LYS  78   5.259   9.196  -2.744
  372    HA   LYS  78           HA       LYS  78   7.670   9.635  -1.316
  373   1HB   LYS  78          1HB       LYS  78   5.004   8.691  -0.248
  374   2HB   LYS  78          2HB       LYS  78   6.314   9.390   0.695
  375   1HG   LYS  78          1HG       LYS  78   4.729  10.792  -1.447
  376   2HG   LYS  78          2HG       LYS  78   4.559  11.022   0.293
  377   1HD   LYS  78          1HD       LYS  78   6.767  11.943   0.448
  378   2HD   LYS  78          2HD       LYS  78   7.104  11.545  -1.238
  379   1HE   LYS  78          1HE       LYS  78   6.606  13.893  -1.066
  380   2HE   LYS  78          2HE       LYS  78   5.298  13.083  -1.924
  381   1HZ   LYS  78          1HZ       LYS  78   4.411  14.643  -0.341
  382   2HZ   LYS  78          2HZ       LYS  78   5.274  13.920   0.927
  383   3HZ   LYS  78          3HZ       LYS  78   4.026  13.070   0.160
  384    H    PHE  79           H        PHE  79   5.700   6.785  -1.945
  385    HA   PHE  79           HA       PHE  79   7.080   4.899  -0.411
  386   1HB   PHE  79          1HB       PHE  79   4.980   4.353  -1.499
  387   2HB   PHE  79          2HB       PHE  79   5.688   4.627  -3.085
  388    HD1  PHE  79           HD1      PHE  79   5.241   2.260  -0.361
  389    HD2  PHE  79           HD2      PHE  79   7.322   3.033  -4.000
  390    HE1  PHE  79           HE1      PHE  79   5.851  -0.109  -0.521
  391    HE2  PHE  79           HE2      PHE  79   7.923   0.659  -4.161
  392    HZ   PHE  79           HZ       PHE  79   7.189  -0.903  -2.419
  393    H    LYS  80           H        LYS  80   7.764   6.228  -3.579
  394    HA   LYS  80           HA       LYS  80   9.910   4.400  -4.103
  395   1HB   LYS  80          1HB       LYS  80   8.993   6.886  -5.541
  396   2HB   LYS  80          2HB       LYS  80  10.304   5.857  -6.104
  397   1HG   LYS  80          1HG       LYS  80   7.427   5.048  -5.741
  398   2HG   LYS  80          2HG       LYS  80   8.255   5.339  -7.273
  399   1HD   LYS  80          1HD       LYS  80   9.058   3.226  -5.275
  400   2HD   LYS  80          2HD       LYS  80   8.039   2.927  -6.687
  401   1HE   LYS  80          1HE       LYS  80  10.846   4.028  -6.781
  402   2HE   LYS  80          2HE       LYS  80  10.422   2.337  -7.039
  403   1HZ   LYS  80          1HZ       LYS  80   9.493   4.624  -8.706
  404   2HZ   LYS  80          2HZ       LYS  80   9.104   2.993  -8.956
  405   3HZ   LYS  80          3HZ       LYS  80  10.707   3.518  -9.129
  406    H    GLU  81           H        GLU  81   9.667   7.363  -2.398
  407    HA   GLU  81           HA       GLU  81  12.213   8.425  -3.064
  408   1HB   GLU  81          1HB       GLU  81  10.519   8.903  -0.610
  409   2HB   GLU  81          2HB       GLU  81  11.955   9.829  -1.031
  410   1HG   GLU  81          1HG       GLU  81  10.736  10.283  -3.251
  411   2HG   GLU  81          2HG       GLU  81   9.294   9.753  -2.390
  412    H    GLY  82           H        GLY  82  11.121   6.275  -0.480
  413   1HA   GLY  82          1HA       GLY  82  13.654   6.127   0.822
  414   2HA   GLY  82          2HA       GLY  82  12.329   4.984   1.007
  415    H    VAL  83           H        VAL  83  12.031   4.135  -1.587
  416    HA   VAL  83           HA       VAL  83  13.939   2.136  -1.922
  417    HB   VAL  83           HB       VAL  83  12.405   3.441  -3.975
  418   1HG1  VAL  83          1HG1      VAL  83  14.080   1.912  -4.827
  419   2HG1  VAL  83          2HG1      VAL  83  12.480   1.182  -4.961
  420   3HG1  VAL  83          3HG1      VAL  83  13.575   0.676  -3.675
  421   1HG2  VAL  83          1HG2      VAL  83  11.637   1.302  -2.008
  422   2HG2  VAL  83          2HG2      VAL  83  10.701   1.766  -3.429
  423   3HG2  VAL  83          3HG2      VAL  83  10.958   2.925  -2.124
  424    H    ALA  84           H        ALA  84  13.587   5.212  -3.681
  425    HA   ALA  84           HA       ALA  84  15.817   4.929  -5.352
  426   1HB   ALA  84          1HB       ALA  84  14.004   6.552  -5.714
  427   2HB   ALA  84          2HB       ALA  84  15.600   7.303  -5.773
  428   3HB   ALA  84          3HB       ALA  84  14.588   7.488  -4.339
  429    H    SER  85           H        SER  85  15.574   5.922  -2.034
  430    HA   SER  85           HA       SER  85  18.252   7.003  -1.964
  431   1HB   SER  85          1HB       SER  85  16.369   6.380   0.323
  432   2HB   SER  85          2HB       SER  85  17.830   7.365   0.410
  433    HG   SER  85           HG       SER  85  15.458   7.933  -1.059
  434    H    GLY  86           H        GLY  86  16.827   4.571   0.197
  435   1HA   GLY  86          1HA       GLY  86  18.636   2.503  -0.587
  436   2HA   GLY  86          2HA       GLY  86  19.145   3.277   0.909
  437    H    ASN  87           H        ASN  87  17.374   3.528   2.545
  438    HA   ASN  87           HA       ASN  87  15.752   1.082   2.624
  439   1HB   ASN  87          1HB       ASN  87  15.698   1.400   5.080
  440   2HB   ASN  87          2HB       ASN  87  17.340   1.227   4.469
  441   1HD2  ASN  87          1HD2      ASN  87  18.707   3.027   4.439
  442   2HD2  ASN  87          2HD2      ASN  87  18.376   4.429   5.402
  443    H    LEU  88           H        LEU  88  13.582   1.274   3.510
  444    HA   LEU  88           HA       LEU  88  12.445   3.905   2.915
  445   1HB   LEU  88          1HB       LEU  88  11.900   2.339   1.146
  446   2HB   LEU  88          2HB       LEU  88  11.310   1.176   2.317
  447    HG   LEU  88           HG       LEU  88   9.467   2.698   2.902
  448   1HD1  LEU  88          1HD1      LEU  88  10.531   4.419   0.670
  449   2HD1  LEU  88          2HD1      LEU  88  10.580   4.814   2.388
  450   3HD1  LEU  88          3HD1      LEU  88   9.029   4.674   1.560
  451   1HD2  LEU  88          1HD2      LEU  88   8.201   2.447   0.842
  452   2HD2  LEU  88          2HD2      LEU  88   9.157   1.002   1.173
  453   3HD2  LEU  88          3HD2      LEU  88   9.694   2.152  -0.051
  454    H    ASN  89           H        ASN  89  11.374   4.805   4.509
  455    HA   ASN  89           HA       ASN  89   9.612   3.367   6.192
  456   1HB   ASN  89          1HB       ASN  89  10.675   3.714   8.346
  457   2HB   ASN  89          2HB       ASN  89  11.686   2.711   7.331
  458   1HD2  ASN  89          1HD2      ASN  89  12.766   4.919   5.783
  459   2HD2  ASN  89          2HD2      ASN  89  13.860   5.759   6.826
  460    H    THR  90           H        THR  90   8.102   4.741   5.676
  461    HA   THR  90           HA       THR  90   8.386   7.518   6.552
  462    HB   THR  90           HB       THR  90   7.189   6.779   4.051
  463    HG1  THR  90           HG1      THR  90   9.274   7.588   3.229
  464   1HG2  THR  90          1HG2      THR  90   6.555   8.937   4.969
  465   2HG2  THR  90          2HG2      THR  90   7.618   9.142   3.576
  466   3HG2  THR  90          3HG2      THR  90   8.253   9.349   5.209
  467    H    MET  91           H        MET  91   6.372   8.529   6.988
  468    HA   MET  91           HA       MET  91   3.972   6.879   6.687
  469   1HB   MET  91          1HB       MET  91   4.717   6.597   9.006
  470   2HB   MET  91          2HB       MET  91   4.739   8.343   9.218
  471   1HG   MET  91          1HG       MET  91   2.322   8.415   8.828
  472   2HG   MET  91          2HG       MET  91   2.308   6.661   8.651
  473   1HE   MET  91          1HE       MET  91   2.816   9.685  11.078
  474   2HE   MET  91          2HE       MET  91   4.381   8.880  11.188
  475   3HE   MET  91          3HE       MET  91   3.294   8.887  12.576
  476    H    PHE  92           H        PHE  92   2.808   8.033   5.290
  477    HA   PHE  92           HA       PHE  92   2.425  10.895   5.936
  478   1HB   PHE  92          1HB       PHE  92   2.144  11.380   3.551
  479   2HB   PHE  92          2HB       PHE  92   3.733  10.700   3.877
  480    HD1  PHE  92           HD1      PHE  92   0.420  10.029   2.423
  481    HD2  PHE  92           HD2      PHE  92   4.406   8.631   2.934
  482    HE1  PHE  92           HE1      PHE  92   0.040   8.328   0.692
  483    HE2  PHE  92           HE2      PHE  92   4.030   6.928   1.202
  484    HZ   PHE  92           HZ       PHE  92   1.847   6.774   0.081
  485    H    GLU  93           H        GLU  93   0.331  11.777   4.998
  486    HA   GLU  93           HA       GLU  93  -1.783   9.803   5.506
  487   1HB   GLU  93          1HB       GLU  93  -1.685  11.834   6.945
  488   2HB   GLU  93          2HB       GLU  93  -1.933  12.825   5.517
  489   1HG   GLU  93          1HG       GLU  93  -3.938  10.721   6.063
  490   2HG   GLU  93          2HG       GLU  93  -3.902  12.110   7.147
  491    H    TYR  94           H        TYR  94  -3.274   9.310   3.990
  492    HA   TYR  94           HA       TYR  94  -3.277  10.753   1.452
  493   1HB   TYR  94          1HB       TYR  94  -1.492   9.083   1.220
  494   2HB   TYR  94          2HB       TYR  94  -2.608   7.808   1.688
  495    HD1  TYR  94           HD1      TYR  94  -3.473   6.522  -0.019
  496    HD2  TYR  94           HD2      TYR  94  -2.403  10.555  -0.851
  497    HE1  TYR  94           HE1      TYR  94  -4.068   6.188  -2.383
  498    HE2  TYR  94           HE2      TYR  94  -2.998  10.232  -3.212
  499    HH   TYR  94           HH       TYR  94  -3.239   8.441  -4.821
  500    H    THR  95           H        THR  95  -5.118  10.319   0.155
  501    HA   THR  95           HA       THR  95  -7.330   9.111   1.662
  502    HB   THR  95           HB       THR  95  -7.426  10.781  -0.668
  503    HG1  THR  95           HG1      THR  95  -6.381  11.459   1.579
  504   1HG2  THR  95          1HG2      THR  95  -9.402  10.074   1.494
  505   2HG2  THR  95          2HG2      THR  95  -9.463   9.557  -0.191
  506   3HG2  THR  95          3HG2      THR  95  -9.663  11.261   0.215
  507    H    PHE  96           H        PHE  96  -8.559   7.493   0.780
  508    HA   PHE  96           HA       PHE  96  -7.674   6.394  -1.810
  509   1HB   PHE  96          1HB       PHE  96  -9.099   5.140   0.540
  510   2HB   PHE  96          2HB       PHE  96  -9.006   4.356  -1.035
  511    HD1  PHE  96           HD1      PHE  96  -6.301   4.879  -1.906
  512    HD2  PHE  96           HD2      PHE  96  -7.757   3.953   1.984
  513    HE1  PHE  96           HE1      PHE  96  -4.113   3.921  -1.319
  514    HE2  PHE  96           HE2      PHE  96  -5.570   2.997   2.578
  515    HZ   PHE  96           HZ       PHE  96  -3.744   2.979   0.925
  516    H    ASP  97           H        ASP  97  -8.899   6.747  -3.488
  517    HA   ASP  97           HA       ASP  97 -11.796   6.861  -3.228
  518   1HB   ASP  97          1HB       ASP  97 -11.932   8.919  -4.594
  519   2HB   ASP  97          2HB       ASP  97 -11.130   9.204  -3.055
  520    H    TYR  98           H        TYR  98 -12.148   7.771  -5.946
  521    HA   TYR  98           HA       TYR  98 -12.121   7.104  -8.119
  522   1HB   TYR  98          1HB       TYR  98  -9.750   7.118  -8.181
  523   2HB   TYR  98          2HB       TYR  98  -9.634   5.667  -7.198
  524    HD1  TYR  98           HD1      TYR  98  -9.671   3.511  -8.182
  525    HD2  TYR  98           HD2      TYR  98 -10.473   6.945 -10.566
  526    HE1  TYR  98           HE1      TYR  98  -9.475   2.142 -10.213
  527    HE2  TYR  98           HE2      TYR  98 -10.283   5.579 -12.604
  528    HH   TYR  98           HH       TYR  98  -9.197   3.465 -13.308
  529    H    GLN  99           H        GLN  99 -12.091   4.772  -5.591
  530    HA   GLN  99           HA       GLN  99 -14.233   3.316  -6.828
  531   1HB   GLN  99          1HB       GLN  99 -13.103   1.091  -6.624
  532   2HB   GLN  99          2HB       GLN  99 -12.443   2.116  -7.889
  533   1HG   GLN  99          1HG       GLN  99 -10.580   2.716  -6.419
  534   2HG   GLN  99          2HG       GLN  99 -11.241   1.664  -5.166
  535   1HE2  GLN  99          1HE2      GLN  99  -9.678   1.790  -8.267
  536   2HE2  GLN  99          2HE2      GLN  99  -9.219   0.120  -8.333
  537    H    MET 100           H        MET 100 -11.846   3.504  -4.243
  538    HA   MET 100           HA       MET 100 -13.647   2.515  -2.236
  539   1HB   MET 100          1HB       MET 100 -11.214   2.331  -1.929
  540   2HB   MET 100          2HB       MET 100 -11.067   4.081  -2.004
  541   1HG   MET 100          1HG       MET 100 -10.926   3.264   0.280
  542   2HG   MET 100          2HG       MET 100 -12.324   4.312   0.046
  543   1HE   MET 100          1HE       MET 100 -11.033   0.704   0.695
  544   2HE   MET 100          2HE       MET 100 -11.768   0.519  -0.897
  545   3HE   MET 100          3HE       MET 100 -12.492  -0.269   0.505
  546    H    THR 101           H        THR 101 -14.931   3.737  -0.854
  547    HA   THR 101           HA       THR 101 -15.607   6.389  -1.620
  548    HB   THR 101           HB       THR 101 -16.576   6.454   0.559
  549    HG1  THR 101           HG1      THR 101 -16.806   4.066   1.217
  550   1HG2  THR 101          1HG2      THR 101 -17.783   5.960  -1.497
  551   2HG2  THR 101          2HG2      THR 101 -18.371   4.972  -0.161
  552   3HG2  THR 101          3HG2      THR 101 -17.307   4.266  -1.378
  553    HA   PRO 102           HA       PRO 102 -12.463   8.903  -0.104
  554   1HB   PRO 102          1HB       PRO 102 -14.445  10.311   1.629
  555   2HB   PRO 102          2HB       PRO 102 -13.266  10.978   0.493
  556   1HG   PRO 102          1HG       PRO 102 -15.819  10.823  -0.182
  557   2HG   PRO 102          2HG       PRO 102 -14.553  10.430  -1.361
  558   1HD   PRO 102          1HD       PRO 102 -16.357   8.608   0.164
  559   2HD   PRO 102          2HD       PRO 102 -15.725   8.459  -1.486
  560    H    THR 103           H        THR 103 -11.481   7.169   1.059
  561    HA   THR 103           HA       THR 103 -11.833   7.279   3.966
  562    HB   THR 103           HB       THR 103 -10.299   5.546   2.259
  563    HG1  THR 103           HG1      THR 103 -12.655   5.465   2.124
  564   1HG2  THR 103          1HG2      THR 103  -9.349   5.740   4.504
  565   2HG2  THR 103          2HG2      THR 103 -10.112   4.170   4.247
  566   3HG2  THR 103          3HG2      THR 103 -10.937   5.404   5.197
  567    H    LYS 104           H        LYS 104 -10.390   8.238   5.244
  568    HA   LYS 104           HA       LYS 104  -7.906   9.217   4.034
  569   1HB   LYS 104          1HB       LYS 104  -9.262  10.974   4.991
  570   2HB   LYS 104          2HB       LYS 104  -9.417  10.088   6.502
  571   1HG   LYS 104          1HG       LYS 104  -7.103  10.421   7.013
  572   2HG   LYS 104          2HG       LYS 104  -6.805  11.120   5.418
  573   1HD   LYS 104          1HD       LYS 104  -8.653  12.291   7.497
  574   2HD   LYS 104          2HD       LYS 104  -6.990  12.817   7.217
  575   1HE   LYS 104          1HE       LYS 104  -9.184  12.849   5.149
  576   2HE   LYS 104          2HE       LYS 104  -8.676  14.246   6.097
  577   1HZ   LYS 104          1HZ       LYS 104  -6.630  14.326   5.030
  578   2HZ   LYS 104          2HZ       LYS 104  -7.700  13.947   3.770
  579   3HZ   LYS 104          3HZ       LYS 104  -6.733  12.735   4.457
  580    H    VAL 105           H        VAL 105  -6.178   8.052   4.418
  581    HA   VAL 105           HA       VAL 105  -5.962   6.671   7.005
  582    HB   VAL 105           HB       VAL 105  -4.781   5.009   5.964
  583   1HG1  VAL 105          1HG1      VAL 105  -7.576   5.466   4.937
  584   2HG1  VAL 105          2HG1      VAL 105  -7.149   4.787   6.507
  585   3HG1  VAL 105          3HG1      VAL 105  -6.747   3.911   5.029
  586   1HG2  VAL 105          1HG2      VAL 105  -4.975   4.732   3.539
  587   2HG2  VAL 105          2HG2      VAL 105  -4.005   6.135   3.986
  588   3HG2  VAL 105          3HG2      VAL 105  -5.662   6.353   3.427
  589    H    LYS 106           H        LYS 106  -3.740   6.067   7.544
  590    HA   LYS 106           HA       LYS 106  -1.776   7.916   6.400
  591   1HB   LYS 106          1HB       LYS 106  -1.836   6.726   9.184
  592   2HB   LYS 106          2HB       LYS 106  -0.591   7.800   8.552
  593   1HG   LYS 106          1HG       LYS 106  -2.365   9.520   8.205
  594   2HG   LYS 106          2HG       LYS 106  -3.479   8.451   9.058
  595   1HD   LYS 106          1HD       LYS 106  -1.991   8.511  11.020
  596   2HD   LYS 106          2HD       LYS 106  -0.933   9.631  10.158
  597   1HE   LYS 106          1HE       LYS 106  -2.832  11.204   9.955
  598   2HE   LYS 106          2HE       LYS 106  -3.813  10.100  10.921
  599   1HZ   LYS 106          1HZ       LYS 106  -1.349  11.508  11.795
  600   2HZ   LYS 106          2HZ       LYS 106  -2.182  10.357  12.724
  601   3HZ   LYS 106          3HZ       LYS 106  -2.935  11.820  12.314
  602    H    VAL 107           H        VAL 107  -0.029   7.060   5.528
  603    HA   VAL 107           HA       VAL 107  -0.015   4.139   5.325
  604    HB   VAL 107           HB       VAL 107   0.982   6.262   3.668
  605   1HG1  VAL 107          1HG1      VAL 107   0.954   3.275   3.264
  606   2HG1  VAL 107          2HG1      VAL 107   2.387   4.274   3.500
  607   3HG1  VAL 107          3HG1      VAL 107   1.402   4.471   2.050
  608   1HG2  VAL 107          1HG2      VAL 107  -1.414   6.170   3.670
  609   2HG2  VAL 107          2HG2      VAL 107  -1.377   4.424   3.428
  610   3HG2  VAL 107          3HG2      VAL 107  -0.795   5.503   2.159
  611    H    HIS 108           H        HIS 108   1.402   3.415   6.779
  612    HA   HIS 108           HA       HIS 108   4.001   4.768   6.989
  613   1HB   HIS 108          1HB       HIS 108   2.820   4.454   9.128
  614   2HB   HIS 108          2HB       HIS 108   2.740   2.720   8.833
  615    HD1  HIS 108           HD1      HIS 108   4.201   1.883  10.700
  616    HD2  HIS 108           HD2      HIS 108   6.012   4.900   8.475
  617    HE1  HIS 108           HE1      HIS 108   6.590   1.978  11.496
  618    HE2  HIS 108           HE2      HIS 108   7.634   3.893  10.222
  619    H    MET 109           H        MET 109   5.295   3.999   5.503
  620    HA   MET 109           HA       MET 109   5.284   1.104   4.972
  621   1HB   MET 109          1HB       MET 109   6.324   1.602   2.842
  622   2HB   MET 109          2HB       MET 109   4.902   2.625   3.047
  623   1HG   MET 109          1HG       MET 109   7.465   3.794   3.904
  624   2HG   MET 109          2HG       MET 109   7.263   3.530   2.169
  625   1HE   MET 109          1HE       MET 109   4.132   3.838   1.840
  626   2HE   MET 109          2HE       MET 109   5.328   4.527   0.740
  627   3HE   MET 109          3HE       MET 109   4.036   5.539   1.385
  628    H    LYS 110           H        LYS 110   7.196  -0.094   5.056
  629    HA   LYS 110           HA       LYS 110   9.653   1.146   5.965
  630   1HB   LYS 110          1HB       LYS 110   9.730  -0.263   8.040
  631   2HB   LYS 110          2HB       LYS 110   8.517   1.008   8.082
  632   1HG   LYS 110          1HG       LYS 110   6.815  -0.686   7.432
  633   2HG   LYS 110          2HG       LYS 110   8.059  -1.925   7.597
  634   1HD   LYS 110          1HD       LYS 110   7.240  -0.032   9.792
  635   2HD   LYS 110          2HD       LYS 110   6.597  -1.665   9.599
  636   1HE   LYS 110          1HE       LYS 110   8.909  -2.545   9.788
  637   2HE   LYS 110          2HE       LYS 110   9.474  -0.902  10.091
  638   1HZ   LYS 110          1HZ       LYS 110   9.190  -2.054  12.161
  639   2HZ   LYS 110          2HZ       LYS 110   7.588  -2.457  11.778
  640   3HZ   LYS 110          3HZ       LYS 110   8.016  -0.836  12.046
  641    H    LYS 111           H        LYS 111  11.422  -0.463   6.051
  642    HA   LYS 111           HA       LYS 111  11.084  -2.175   3.753
  643   1HB   LYS 111          1HB       LYS 111  13.108  -0.682   4.349
  644   2HB   LYS 111          2HB       LYS 111  13.571  -1.974   5.449
  645   1HG   LYS 111          1HG       LYS 111  13.482  -3.529   3.472
  646   2HG   LYS 111          2HG       LYS 111  13.310  -2.092   2.461
  647   1HD   LYS 111          1HD       LYS 111  15.604  -2.584   2.420
  648   2HD   LYS 111          2HD       LYS 111  15.447  -1.256   3.569
  649   1HE   LYS 111          1HE       LYS 111  15.468  -4.129   4.452
  650   2HE   LYS 111          2HE       LYS 111  16.959  -3.222   4.209
  651   1HZ   LYS 111          1HZ       LYS 111  16.251  -1.637   5.871
  652   2HZ   LYS 111          2HZ       LYS 111  16.229  -3.198   6.523
  653   3HZ   LYS 111          3HZ       LYS 111  14.776  -2.447   6.079
  654    H    ALA 112           H        ALA 112  11.156  -4.360   3.644
  655    HA   ALA 112           HA       ALA 112  11.164  -5.835   6.195
  656   1HB   ALA 112          1HB       ALA 112   9.846  -6.591   3.588
  657   2HB   ALA 112          2HB       ALA 112   9.022  -5.902   4.987
  658   3HB   ALA 112          3HB       ALA 112   9.768  -7.495   5.102
  659    H    LEU 113           H        LEU 113  11.893  -8.164   5.911
  660    HA   LEU 113           HA       LEU 113  13.804  -8.496   3.747
  661   1HB   LEU 113          1HB       LEU 113  15.510  -9.443   5.349
  662   2HB   LEU 113          2HB       LEU 113  15.325  -7.708   5.299
  663    HG   LEU 113           HG       LEU 113  15.743  -8.655   7.564
  664   1HD1  LEU 113          1HD1      LEU 113  13.125  -7.202   7.278
  665   2HD1  LEU 113          2HD1      LEU 113  14.726  -6.468   7.322
  666   3HD1  LEU 113          3HD1      LEU 113  14.102  -7.310   8.740
  667   1HD2  LEU 113          1HD2      LEU 113  13.915  -9.737   8.773
  668   2HD2  LEU 113          2HD2      LEU 113  14.483 -10.711   7.418
  669   3HD2  LEU 113          3HD2      LEU 113  12.976  -9.806   7.283
  670    H    SER 114           H        SER 114  11.371  -9.768   5.657
  671    HA   SER 114           HA       SER 114  11.839 -12.532   5.442
  672   1HB   SER 114          1HB       SER 114   9.249 -12.598   5.296
  673   2HB   SER 114          2HB       SER 114   9.973 -11.906   6.750
  674    HG   SER 114           HG       SER 114   8.734 -10.270   6.271
  675    H    GLY 115           H        GLY 115  10.461 -10.184   3.263
  676   1HA   GLY 115          1HA       GLY 115  11.354 -11.823   1.007
  677   2HA   GLY 115          2HA       GLY 115   9.709 -11.177   0.995
  678    H    ASP 116           H        ASP 116  11.933 -10.524  -0.819
  679    HA   ASP 116           HA       ASP 116  13.067  -8.033  -0.113
  680   1HB   ASP 116          1HB       ASP 116  13.977  -9.481  -1.905
  681   2HB   ASP 116          2HB       ASP 116  12.558  -9.133  -2.887
  682    H    SER 117           H        SER 117  11.536  -6.647   0.664
  683    HA   SER 117           HA       SER 117   9.968  -5.103  -1.056
  684   1HB   SER 117          1HB       SER 117   7.705  -5.921  -0.164
  685   2HB   SER 117          2HB       SER 117   8.494  -6.953  -1.360
  686    HG   SER 117           HG       SER 117   9.440  -7.859   0.818
  687    H    TYR 118           H        TYR 118   7.972  -4.199   0.557
  688    HA   TYR 118           HA       TYR 118   9.253  -3.491   3.110
  689   1HB   TYR 118          1HB       TYR 118   7.552  -1.608   1.461
  690   2HB   TYR 118          2HB       TYR 118   8.602  -1.221   2.823
  691    HD1  TYR 118           HD1      TYR 118   8.384  -1.699  -0.742
  692    HD2  TYR 118           HD2      TYR 118  11.071  -1.283   2.520
  693    HE1  TYR 118           HE1      TYR 118  10.211  -1.212  -2.320
  694    HE2  TYR 118           HE2      TYR 118  12.908  -0.793   0.960
  695    HH   TYR 118           HH       TYR 118  13.510  -1.130  -1.328
  696    H    TRP 119           H        TRP 119   7.671  -2.936   4.760
  697    HA   TRP 119           HA       TRP 119   5.028  -4.113   4.271
  698   1HB   TRP 119          1HB       TRP 119   6.616  -3.630   6.784
  699   2HB   TRP 119          2HB       TRP 119   4.870  -3.844   6.853
  700    HD1  TRP 119           HD1      TRP 119   8.076  -5.769   6.595
  701    HE1  TRP 119           HE1      TRP 119   7.565  -8.289   6.463
  702    HE3  TRP 119           HE3      TRP 119   3.027  -5.526   5.855
  703    HZ2  TRP 119           HZ2      TRP 119   5.310  -9.953   6.099
  704    HZ3  TRP 119           HZ3      TRP 119   1.762  -7.625   5.630
  705    HH2  TRP 119           HH2      TRP 119   2.882  -9.791   5.749
  706    H    VAL 120           H        VAL 120   3.660  -2.648   3.566
  707    HA   VAL 120           HA       VAL 120   3.799   0.031   4.735
  708    HB   VAL 120           HB       VAL 120   3.960  -0.066   2.517
  709   1HG1  VAL 120          1HG1      VAL 120   1.296  -1.471   2.524
  710   2HG1  VAL 120          2HG1      VAL 120   2.841  -2.155   2.020
  711   3HG1  VAL 120          3HG1      VAL 120   2.117  -0.836   1.098
  712   1HG2  VAL 120          1HG2      VAL 120   2.864   1.828   3.494
  713   2HG2  VAL 120          2HG2      VAL 120   1.314   0.985   3.462
  714   3HG2  VAL 120          3HG2      VAL 120   2.112   1.424   1.951
  715    H    PHE 121           H        PHE 121   2.419   0.632   6.199
  716    HA   PHE 121           HA       PHE 121   0.127  -1.115   6.742
  717   1HB   PHE 121          1HB       PHE 121   1.629   0.802   8.529
  718   2HB   PHE 121          2HB       PHE 121   0.188  -0.081   9.019
  719    HD1  PHE 121           HD1      PHE 121   3.760  -0.291   8.346
  720    HD2  PHE 121           HD2      PHE 121   0.253  -2.494   9.329
  721    HE1  PHE 121           HE1      PHE 121   5.154  -2.196   9.038
  722    HE2  PHE 121           HE2      PHE 121   1.643  -4.401  10.023
  723    HZ   PHE 121           HZ       PHE 121   4.095  -4.254   9.881
  724    H    VAL 122           H        VAL 122  -1.877  -0.394   6.813
  725    HA   VAL 122           HA       VAL 122  -2.358   2.388   5.993
  726    HB   VAL 122           HB       VAL 122  -4.096   0.093   5.992
  727   1HG1  VAL 122          1HG1      VAL 122  -5.441   1.514   4.520
  728   2HG1  VAL 122          2HG1      VAL 122  -4.305   2.842   4.760
  729   3HG1  VAL 122          3HG1      VAL 122  -5.259   2.239   6.118
  730   1HG2  VAL 122          1HG2      VAL 122  -2.214  -0.266   4.518
  731   2HG2  VAL 122          2HG2      VAL 122  -2.453   1.326   3.799
  732   3HG2  VAL 122          3HG2      VAL 122  -3.676   0.072   3.593
  733    H    LYS 123           H        LYS 123  -2.713   3.630   7.724
  734    HA   LYS 123           HA       LYS 123  -4.287   2.549   9.965
  735   1HB   LYS 123          1HB       LYS 123  -2.535   5.012   9.799
  736   2HB   LYS 123          2HB       LYS 123  -3.415   4.496  11.230
  737   1HG   LYS 123          1HG       LYS 123  -1.273   2.874   9.870
  738   2HG   LYS 123          2HG       LYS 123  -1.010   3.920  11.267
  739   1HD   LYS 123          1HD       LYS 123  -2.607   2.600  12.562
  740   2HD   LYS 123          2HD       LYS 123  -2.883   1.558  11.163
  741   1HE   LYS 123          1HE       LYS 123  -0.562   0.845  11.211
  742   2HE   LYS 123          2HE       LYS 123  -0.232   1.941  12.553
  743   1HZ   LYS 123          1HZ       LYS 123  -1.786   0.690  13.912
  744   2HZ   LYS 123          2HZ       LYS 123  -0.561  -0.322  13.323
  745   3HZ   LYS 123          3HZ       LYS 123  -2.103  -0.369  12.626
  746    H    ARG 124           H        ARG 124  -6.406   2.895   9.565
  747    HA   ARG 124           HA       ARG 124  -7.301   5.284   8.201
  748   1HB   ARG 124          1HB       ARG 124  -8.334   2.971   7.910
  749   2HB   ARG 124          2HB       ARG 124  -9.040   3.187   9.507
  750   1HG   ARG 124          1HG       ARG 124 -10.177   5.220   8.695
  751   2HG   ARG 124          2HG       ARG 124  -9.522   4.914   7.085
  752   1HD   ARG 124          1HD       ARG 124 -10.650   2.642   7.221
  753   2HD   ARG 124          2HD       ARG 124 -11.500   3.262   8.636
  754    HE   ARG 124           HE       ARG 124 -11.738   4.357   5.908
  755   1HH1  ARG 124          1HH1      ARG 124 -13.004   3.883   9.140
  756   2HH1  ARG 124          2HH1      ARG 124 -14.582   4.490   8.736
  757   1HH2  ARG 124          1HH2      ARG 124 -13.807   5.167   5.374
  758   2HH2  ARG 124          2HH2      ARG 124 -15.041   5.210   6.592
  759    H    VAL 125           H        VAL 125  -7.948   7.100   9.164
  760    HA   VAL 125           HA       VAL 125  -8.053   7.119  12.074
  761    HB   VAL 125           HB       VAL 125  -8.228   9.456  11.789
  762   1HG1  VAL 125          1HG1      VAL 125  -6.208   8.283  12.438
  763   2HG1  VAL 125          2HG1      VAL 125  -5.811   9.587  11.318
  764   3HG1  VAL 125          3HG1      VAL 125  -5.850   7.918  10.750
  765   1HG2  VAL 125          1HG2      VAL 125  -7.410  10.356   9.667
  766   2HG2  VAL 125          2HG2      VAL 125  -8.982   9.576   9.490
  767   3HG2  VAL 125          3HG2      VAL 125  -7.522   8.748   8.950
  768    H2   HC4 169           H2       HC4 169  -7.182   3.792  -3.462
  769    H3   HC4 169           H3       HC4 169  -8.062   1.892  -5.577
  770    H2'  HC4 169           H2'      HC4 169  -8.771  -0.347  -4.646
  771    H3'  HC4 169           H3'      HC4 169  -9.449  -1.780  -2.765
  772    H5'  HC4 169           H5'      HC4 169  -8.116   1.202  -0.039
  773    H6'  HC4 169           H6'      HC4 169  -7.583   2.690  -1.928
  Start of MODEL    2
    1    H    LEU  26           H        LEU  26 -12.320  -4.391  10.348
    2    HA   LEU  26           HA       LEU  26 -11.896  -4.851  12.642
    3   1HB   LEU  26          1HB       LEU  26 -10.904  -6.255  10.665
    4   2HB   LEU  26          2HB       LEU  26  -9.370  -5.637  11.215
    5    HG   LEU  26           HG       LEU  26  -9.825  -7.857  12.017
    6   1HD1  LEU  26          1HD1      LEU  26  -9.812  -5.833  14.243
    7   2HD1  LEU  26          2HD1      LEU  26  -8.401  -6.412  13.358
    8   3HD1  LEU  26          3HD1      LEU  26  -9.318  -7.521  14.376
    9   1HD2  LEU  26          1HD2      LEU  26 -12.160  -6.612  13.448
   10   2HD2  LEU  26          2HD2      LEU  26 -11.561  -8.249  13.718
   11   3HD2  LEU  26          3HD2      LEU  26 -12.229  -7.802  12.149
   12    H    ALA  27           H        ALA  27  -8.722  -3.824  11.328
   13    HA   ALA  27           HA       ALA  27  -8.449  -1.907  13.492
   14   1HB   ALA  27          1HB       ALA  27  -6.352  -2.804  14.315
   15   2HB   ALA  27          2HB       ALA  27  -6.437  -4.131  13.155
   16   3HB   ALA  27          3HB       ALA  27  -7.625  -4.019  14.455
   17    H    PHE  28           H        PHE  28  -5.926  -3.420  11.531
   18    HA   PHE  28           HA       PHE  28  -5.709  -0.947   9.968
   19   1HB   PHE  28          1HB       PHE  28  -3.279  -0.953  10.209
   20   2HB   PHE  28          2HB       PHE  28  -4.037  -0.864  11.793
   21    HD1  PHE  28           HD1      PHE  28  -1.838  -2.724   9.635
   22    HD2  PHE  28           HD2      PHE  28  -4.104  -2.914  13.234
   23    HE1  PHE  28           HE1      PHE  28  -0.513  -4.667  10.362
   24    HE2  PHE  28           HE2      PHE  28  -2.782  -4.857  13.968
   25    HZ   PHE  28           HZ       PHE  28  -0.984  -5.736  12.531
   26    H    GLY  29           H        GLY  29  -4.622  -1.214   7.924
   27   1HA   GLY  29          1HA       GLY  29  -4.916  -3.966   6.917
   28   2HA   GLY  29          2HA       GLY  29  -4.961  -2.505   5.936
   29    H    ALA  30           H        ALA  30  -3.156  -5.119   6.606
   30    HA   ALA  30           HA       ALA  30  -0.580  -3.713   6.440
   31   1HB   ALA  30          1HB       ALA  30  -1.168  -6.554   7.274
   32   2HB   ALA  30          2HB       ALA  30  -0.800  -5.209   8.355
   33   3HB   ALA  30          3HB       ALA  30   0.427  -5.800   7.234
   34    H    ILE  31           H        ILE  31  -0.045  -3.442   4.375
   35    HA   ILE  31           HA       ILE  31  -0.358  -5.742   2.562
   36    HB   ILE  31           HB       ILE  31   0.147  -3.000   1.874
   37   1HG1  ILE  31          1HG1      ILE  31  -2.497  -4.440   2.009
   38   2HG1  ILE  31          2HG1      ILE  31  -1.962  -3.242   3.180
   39   1HG2  ILE  31          1HG2      ILE  31  -0.747  -3.784  -0.278
   40   2HG2  ILE  31          2HG2      ILE  31  -0.861  -5.416   0.379
   41   3HG2  ILE  31          3HG2      ILE  31   0.716  -4.651   0.188
   42   1HD1  ILE  31          1HD1      ILE  31  -3.479  -2.267   1.567
   43   2HD1  ILE  31          2HD1      ILE  31  -2.423  -2.762   0.245
   44   3HD1  ILE  31          3HD1      ILE  31  -1.872  -1.559   1.411
   45    H    GLN  32           H        GLN  32   1.441  -6.363   1.305
   46    HA   GLN  32           HA       GLN  32   4.000  -5.130   2.101
   47   1HB   GLN  32          1HB       GLN  32   3.560  -7.509   2.874
   48   2HB   GLN  32          2HB       GLN  32   3.602  -7.981   1.183
   49   1HG   GLN  32          1HG       GLN  32   5.901  -7.198   1.010
   50   2HG   GLN  32          2HG       GLN  32   5.860  -6.690   2.699
   51   1HE2  GLN  32          1HE2      GLN  32   7.637  -8.593   1.434
   52   2HE2  GLN  32          2HE2      GLN  32   7.402 -10.100   2.251
   53    H    LEU  33           H        LEU  33   4.890  -3.996   0.472
   54    HA   LEU  33           HA       LEU  33   4.310  -4.870  -2.285
   55   1HB   LEU  33          1HB       LEU  33   5.121  -2.081  -1.528
   56   2HB   LEU  33          2HB       LEU  33   4.478  -2.628  -3.055
   57    HG   LEU  33           HG       LEU  33   2.975  -2.265  -0.473
   58   1HD1  LEU  33          1HD1      LEU  33   3.431  -0.221  -1.686
   59   2HD1  LEU  33          2HD1      LEU  33   1.715  -0.623  -1.768
   60   3HD1  LEU  33          3HD1      LEU  33   2.759  -0.922  -3.158
   61   1HD2  LEU  33          1HD2      LEU  33   2.153  -4.271  -1.594
   62   2HD2  LEU  33          2HD2      LEU  33   1.994  -3.376  -3.105
   63   3HD2  LEU  33          3HD2      LEU  33   0.979  -2.960  -1.724
   64    H    ASP  34           H        ASP  34   6.049  -4.720  -3.829
   65    HA   ASP  34           HA       ASP  34   8.700  -4.377  -2.590
   66   1HB   ASP  34          1HB       ASP  34   9.613  -5.725  -4.480
   67   2HB   ASP  34          2HB       ASP  34   8.536  -6.619  -3.418
   68    H    GLY  35           H        GLY  35  10.406  -3.678  -4.287
   69   1HA   GLY  35          1HA       GLY  35   9.804  -0.982  -4.753
   70   2HA   GLY  35          2HA       GLY  35  11.235  -1.818  -5.320
   71    H    ASP  36           H        ASP  36   9.260  -3.680  -6.837
   72    HA   ASP  36           HA       ASP  36   9.324  -2.100  -9.261
   73   1HB   ASP  36          1HB       ASP  36   9.887  -4.534  -9.236
   74   2HB   ASP  36          2HB       ASP  36   8.213  -4.879  -8.826
   75    H    GLY  37           H        GLY  37   7.166  -2.662  -6.738
   76   1HA   GLY  37          1HA       GLY  37   5.189  -1.321  -6.549
   77   2HA   GLY  37          2HA       GLY  37   4.995  -1.423  -8.294
   78    H    ASN  38           H        ASN  38   5.919  -4.390  -7.036
   79    HA   ASN  38           HA       ASN  38   3.281  -5.461  -7.552
   80   1HB   ASN  38          1HB       ASN  38   5.787  -6.901  -6.641
   81   2HB   ASN  38          2HB       ASN  38   4.294  -7.664  -7.188
   82   1HD2  ASN  38          1HD2      ASN  38   7.183  -6.081  -8.091
   83   2HD2  ASN  38          2HD2      ASN  38   7.028  -6.301  -9.807
   84    H    ILE  39           H        ILE  39   2.088  -6.690  -6.109
   85    HA   ILE  39           HA       ILE  39   2.594  -6.125  -3.278
   86    HB   ILE  39           HB       ILE  39   0.320  -7.449  -4.417
   87   1HG1  ILE  39          1HG1      ILE  39   0.750  -4.477  -4.110
   88   2HG1  ILE  39          2HG1      ILE  39   0.682  -5.337  -5.644
   89   1HG2  ILE  39          1HG2      ILE  39   0.880  -5.798  -1.947
   90   2HG2  ILE  39          2HG2      ILE  39   0.561  -7.531  -2.005
   91   3HG2  ILE  39          3HG2      ILE  39  -0.713  -6.386  -2.417
   92   1HD1  ILE  39          1HD1      ILE  39  -1.622  -5.984  -5.176
   93   2HD1  ILE  39          2HD1      ILE  39  -1.420  -4.232  -5.154
   94   3HD1  ILE  39          3HD1      ILE  39  -1.550  -5.125  -3.637
   95    H    LEU  40           H        LEU  40   2.428  -7.910  -1.761
   96    HA   LEU  40           HA       LEU  40   2.838 -10.556  -2.994
   97   1HB   LEU  40          1HB       LEU  40   3.821  -9.501  -0.341
   98   2HB   LEU  40          2HB       LEU  40   3.973 -11.170  -0.853
   99    HG   LEU  40           HG       LEU  40   5.309 -10.281  -2.847
  100   1HD1  LEU  40          1HD1      LEU  40   6.450  -8.152  -2.516
  101   2HD1  LEU  40          2HD1      LEU  40   5.475  -7.849  -1.078
  102   3HD1  LEU  40          3HD1      LEU  40   4.705  -7.935  -2.664
  103   1HD2  LEU  40          1HD2      LEU  40   6.424 -10.030  -0.062
  104   2HD2  LEU  40          2HD2      LEU  40   7.372 -10.202  -1.539
  105   3HD2  LEU  40          3HD2      LEU  40   6.309 -11.508  -1.018
  106    H    GLN  41           H        GLN  41   1.869  -9.241   0.154
  107    HA   GLN  41           HA       GLN  41  -0.528 -10.885   0.079
  108   1HB   GLN  41          1HB       GLN  41  -0.008 -11.768   2.361
  109   2HB   GLN  41          2HB       GLN  41   1.029 -12.383   1.082
  110   1HG   GLN  41          1HG       GLN  41   2.765 -10.771   1.746
  111   2HG   GLN  41          2HG       GLN  41   1.726 -10.231   3.063
  112   1HE2  GLN  41          1HE2      GLN  41   3.270 -10.821   4.582
  113   2HE2  GLN  41          2HE2      GLN  41   3.565 -12.478   5.006
  114    H    TYR  42           H        TYR  42  -2.118 -10.276   1.468
  115    HA   TYR  42           HA       TYR  42  -1.814  -7.709   2.877
  116   1HB   TYR  42          1HB       TYR  42  -4.239  -9.101   1.725
  117   2HB   TYR  42          2HB       TYR  42  -4.383  -7.787   2.882
  118    HD1  TYR  42           HD1      TYR  42  -5.325  -6.003   1.681
  119    HD2  TYR  42           HD2      TYR  42  -2.098  -8.186  -0.022
  120    HE1  TYR  42           HE1      TYR  42  -5.194  -4.378  -0.159
  121    HE2  TYR  42           HE2      TYR  42  -1.967  -6.576  -1.867
  122    HH   TYR  42           HH       TYR  42  -3.379  -4.928  -2.986
  123    H    ASN  43           H        ASN  43  -3.463  -7.646   4.798
  124    HA   ASN  43           HA       ASN  43  -3.445 -10.247   6.173
  125   1HB   ASN  43          1HB       ASN  43  -3.594  -9.079   8.273
  126   2HB   ASN  43          2HB       ASN  43  -2.275  -8.364   7.356
  127   1HD2  ASN  43          1HD2      ASN  43  -3.716  -7.233   9.557
  128   2HD2  ASN  43          2HD2      ASN  43  -4.462  -5.760   8.964
  129    H    ALA  44           H        ALA  44  -5.424 -10.579   7.599
  130    HA   ALA  44           HA       ALA  44  -7.664 -10.514   5.834
  131   1HB   ALA  44          1HB       ALA  44  -7.204 -12.391   7.349
  132   2HB   ALA  44          2HB       ALA  44  -8.832 -11.746   7.556
  133   3HB   ALA  44          3HB       ALA  44  -7.572 -11.353   8.726
  134    H    ALA  45           H        ALA  45  -6.491  -8.197   7.903
  135    HA   ALA  45           HA       ALA  45  -9.023  -7.187   8.850
  136   1HB   ALA  45          1HB       ALA  45  -7.017  -6.965  10.222
  137   2HB   ALA  45          2HB       ALA  45  -7.714  -5.391   9.834
  138   3HB   ALA  45          3HB       ALA  45  -6.279  -5.956   8.976
  139    H    GLU  46           H        GLU  46  -6.945  -6.694   6.117
  140    HA   GLU  46           HA       GLU  46  -7.968  -4.132   5.372
  141   1HB   GLU  46          1HB       GLU  46  -5.790  -5.302   4.587
  142   2HB   GLU  46          2HB       GLU  46  -6.823  -6.140   3.441
  143   1HG   GLU  46          1HG       GLU  46  -6.395  -3.163   3.631
  144   2HG   GLU  46          2HG       GLU  46  -5.774  -4.239   2.386
  145    HE2  GLU  46           HE2      GLU  46  -8.240  -1.767   1.971
  146    H    GLY  47           H        GLY  47  -8.525  -7.430   4.168
  147   1HA   GLY  47          1HA       GLY  47 -10.584  -6.907   2.385
  148   2HA   GLY  47          2HA       GLY  47 -10.366  -8.428   3.239
  149    H    ASP  48           H        ASP  48 -10.661  -6.989   5.838
  150    HA   ASP  48           HA       ASP  48 -13.420  -7.373   6.230
  151   1HB   ASP  48          1HB       ASP  48 -11.794  -7.602   8.039
  152   2HB   ASP  48          2HB       ASP  48 -11.398  -5.892   7.928
  153    H    ILE  49           H        ILE  49 -11.510  -4.545   5.428
  154    HA   ILE  49           HA       ILE  49 -13.848  -2.819   5.775
  155    HB   ILE  49           HB       ILE  49 -11.147  -2.189   5.031
  156   1HG1  ILE  49          1HG1      ILE  49 -11.350  -3.194   7.264
  157   2HG1  ILE  49          2HG1      ILE  49 -10.897  -1.497   7.297
  158   1HG2  ILE  49          1HG2      ILE  49 -12.773  -0.553   4.245
  159   2HG2  ILE  49          2HG2      ILE  49 -11.859   0.084   5.611
  160   3HG2  ILE  49          3HG2      ILE  49 -13.507  -0.499   5.847
  161   1HD1  ILE  49          1HD1      ILE  49 -13.651  -2.594   7.816
  162   2HD1  ILE  49          2HD1      ILE  49 -13.188  -0.893   7.879
  163   3HD1  ILE  49          3HD1      ILE  49 -12.511  -2.037   9.040
  164    H    THR  50           H        THR  50 -11.272  -2.991   3.279
  165    HA   THR  50           HA       THR  50 -13.194  -2.122   1.298
  166    HB   THR  50           HB       THR  50 -10.460  -2.966   1.017
  167    HG1  THR  50           HG1      THR  50 -10.080  -0.736   1.217
  168   1HG2  THR  50          1HG2      THR  50 -11.768  -2.980  -1.064
  169   2HG2  THR  50          2HG2      THR  50 -10.584  -1.673  -1.031
  170   3HG2  THR  50          3HG2      THR  50 -12.288  -1.328  -0.731
  171    H    GLY  51           H        GLY  51 -10.916  -4.882   1.484
  172   1HA   GLY  51          1HA       GLY  51 -11.991  -7.111   1.417
  173   2HA   GLY  51          2HA       GLY  51 -13.021  -6.470   0.150
  174    H    ARG  52           H        ARG  52  -9.506  -6.012   0.475
  175    HA   ARG  52           HA       ARG  52  -9.218  -7.319  -2.121
  176   1HB   ARG  52          1HB       ARG  52  -7.098  -5.920  -0.472
  177   2HB   ARG  52          2HB       ARG  52  -6.943  -6.457  -2.138
  178   1HG   ARG  52          1HG       ARG  52  -8.550  -4.176  -1.049
  179   2HG   ARG  52          2HG       ARG  52  -7.280  -4.151  -2.270
  180   1HD   ARG  52          1HD       ARG  52 -10.099  -5.171  -2.535
  181   2HD   ARG  52          2HD       ARG  52  -9.339  -3.847  -3.410
  182    HE   ARG  52           HE       ARG  52  -7.961  -6.250  -3.922
  183   1HH1  ARG  52          1HH1      ARG  52 -10.946  -4.581  -4.701
  184   2HH1  ARG  52          2HH1      ARG  52 -11.192  -5.458  -6.179
  185   1HH2  ARG  52          1HH2      ARG  52  -8.314  -7.443  -5.827
  186   2HH2  ARG  52          2HH2      ARG  52  -9.707  -7.099  -6.812
  187    H    ASP  53           H        ASP  53  -8.677  -9.371  -2.267
  188    HA   ASP  53           HA       ASP  53  -8.476 -10.956   0.054
  189   1HB   ASP  53          1HB       ASP  53  -8.034 -11.615  -2.852
  190   2HB   ASP  53          2HB       ASP  53  -7.986 -12.820  -1.569
  191    HA   PRO  54           HA       PRO  54  -4.107 -11.026   0.793
  192   1HB   PRO  54          1HB       PRO  54  -4.623 -13.611   2.098
  193   2HB   PRO  54          2HB       PRO  54  -3.990 -12.114   2.789
  194   1HG   PRO  54          1HG       PRO  54  -6.465 -13.004   3.353
  195   2HG   PRO  54          2HG       PRO  54  -6.092 -11.275   3.232
  196   1HD   PRO  54          1HD       PRO  54  -7.412 -13.074   1.235
  197   2HD   PRO  54          2HD       PRO  54  -7.811 -11.402   1.680
  198    H    LYS  55           H        LYS  55  -2.797 -11.540  -0.803
  199    HA   LYS  55           HA       LYS  55  -1.256 -12.860  -1.837
  200   1HB   LYS  55          1HB       LYS  55  -2.983 -15.174  -0.973
  201   2HB   LYS  55          2HB       LYS  55  -1.488 -15.344  -1.880
  202   1HG   LYS  55          1HG       LYS  55  -0.246 -14.331  -0.037
  203   2HG   LYS  55          2HG       LYS  55  -1.748 -14.141   0.870
  204   1HD   LYS  55          1HD       LYS  55  -2.065 -16.573   0.839
  205   2HD   LYS  55          2HD       LYS  55  -0.552 -16.756  -0.048
  206   1HE   LYS  55          1HE       LYS  55  -0.832 -15.574   2.714
  207   2HE   LYS  55          2HE       LYS  55  -0.295 -17.214   2.353
  208   1HZ   LYS  55          1HZ       LYS  55   1.529 -16.109   1.001
  209   2HZ   LYS  55          2HZ       LYS  55   1.644 -15.986   2.690
  210   3HZ   LYS  55          3HZ       LYS  55   1.101 -14.667   1.785
  211    H    GLN  56           H        GLN  56  -4.273 -12.154  -2.782
  212    HA   GLN  56           HA       GLN  56  -4.208 -13.574  -5.318
  213   1HB   GLN  56          1HB       GLN  56  -6.148 -12.254  -5.936
  214   2HB   GLN  56          2HB       GLN  56  -6.374 -12.852  -4.297
  215   1HG   GLN  56          1HG       GLN  56  -6.046 -10.759  -3.348
  216   2HG   GLN  56          2HG       GLN  56  -5.223 -10.134  -4.773
  217   1HE2  GLN  56          1HE2      GLN  56  -8.205 -11.931  -4.990
  218   2HE2  GLN  56          2HE2      GLN  56  -9.206 -10.598  -5.448
  219    H    VAL  57           H        VAL  57  -2.724 -10.943  -3.927
  220    HA   VAL  57           HA       VAL  57  -2.595  -9.328  -6.352
  221    HB   VAL  57           HB       VAL  57  -1.484  -7.819  -4.874
  222   1HG1  VAL  57          1HG1      VAL  57  -4.346  -8.689  -4.439
  223   2HG1  VAL  57          2HG1      VAL  57  -3.774  -7.575  -5.680
  224   3HG1  VAL  57          3HG1      VAL  57  -3.676  -7.125  -3.978
  225   1HG2  VAL  57          1HG2      VAL  57  -0.941  -9.461  -3.125
  226   2HG2  VAL  57          2HG2      VAL  57  -2.665  -9.671  -2.818
  227   3HG2  VAL  57          3HG2      VAL  57  -1.902  -8.110  -2.525
  228    H    ILE  58           H        ILE  58  -0.958 -11.796  -5.947
  229    HA   ILE  58           HA       ILE  58   1.711 -10.769  -5.552
  230    HB   ILE  58           HB       ILE  58   0.855 -13.328  -6.544
  231   1HG1  ILE  58          1HG1      ILE  58   1.409 -12.374  -3.737
  232   2HG1  ILE  58          2HG1      ILE  58  -0.170 -12.810  -4.379
  233   1HG2  ILE  58          1HG2      ILE  58   3.182 -12.809  -6.999
  234   2HG2  ILE  58          2HG2      ILE  58   3.068 -13.991  -5.697
  235   3HG2  ILE  58          3HG2      ILE  58   3.417 -12.302  -5.326
  236   1HD1  ILE  58          1HD1      ILE  58   0.761 -14.583  -3.009
  237   2HD1  ILE  58          2HD1      ILE  58   2.173 -14.673  -4.063
  238   3HD1  ILE  58          3HD1      ILE  58   0.579 -15.103  -4.684
  239    H    GLY  59           H        GLY  59   3.044 -10.051  -7.108
  240   1HA   GLY  59          1HA       GLY  59   3.852  -9.650  -9.246
  241   2HA   GLY  59          2HA       GLY  59   2.697 -10.829  -9.854
  242    H    LYS  60           H        LYS  60   1.176  -8.695  -7.842
  243    HA   LYS  60           HA       LYS  60  -0.051  -7.410 -10.162
  244   1HB   LYS  60          1HB       LYS  60  -0.938  -8.231  -7.461
  245   2HB   LYS  60          2HB       LYS  60  -1.637  -6.750  -8.103
  246   1HG   LYS  60          1HG       LYS  60  -2.318  -8.033 -10.130
  247   2HG   LYS  60          2HG       LYS  60  -1.769  -9.497  -9.305
  248   1HD   LYS  60          1HD       LYS  60  -3.326  -8.951  -7.441
  249   2HD   LYS  60          2HD       LYS  60  -3.939  -7.607  -8.403
  250   1HE   LYS  60          1HE       LYS  60  -4.010 -10.510  -9.194
  251   2HE   LYS  60          2HE       LYS  60  -5.369  -9.588  -8.559
  252   1HZ   LYS  60          1HZ       LYS  60  -5.645  -9.586 -10.858
  253   2HZ   LYS  60          2HZ       LYS  60  -4.009  -9.294 -11.166
  254   3HZ   LYS  60          3HZ       LYS  60  -4.984  -8.057 -10.531
  255    H    ASN  61           H        ASN  61  -0.127  -5.227 -10.389
  256    HA   ASN  61           HA       ASN  61   1.746  -3.728  -8.742
  257   1HB   ASN  61          1HB       ASN  61   1.719  -3.480 -11.240
  258   2HB   ASN  61          2HB       ASN  61   0.125  -2.743 -11.103
  259   1HD2  ASN  61          1HD2      ASN  61   3.530  -2.320 -10.620
  260   2HD2  ASN  61          2HD2      ASN  61   3.473  -0.621 -10.293
  261    H    PHE  62           H        PHE  62   1.069  -2.871  -6.919
  262    HA   PHE  62           HA       PHE  62  -1.589  -2.696  -6.091
  263   1HB   PHE  62          1HB       PHE  62   0.272  -2.752  -4.517
  264   2HB   PHE  62          2HB       PHE  62   0.832  -1.183  -5.083
  265    HD1  PHE  62           HD1      PHE  62   0.197   0.716  -3.948
  266    HD2  PHE  62           HD2      PHE  62  -2.161  -2.806  -3.571
  267    HE1  PHE  62           HE1      PHE  62  -1.191   1.831  -2.248
  268    HE2  PHE  62           HE2      PHE  62  -3.552  -1.698  -1.872
  269    HZ   PHE  62           HZ       PHE  62  -3.069   0.622  -1.208
  270    H    PHE  63           H        PHE  63   0.375  -0.423  -7.830
  271    HA   PHE  63           HA       PHE  63  -1.321   1.831  -7.189
  272   1HB   PHE  63          1HB       PHE  63   1.035   1.729  -9.079
  273   2HB   PHE  63          2HB       PHE  63   0.336   3.156  -8.314
  274    HD1  PHE  63           HD1      PHE  63   2.549   0.302  -7.905
  275    HD2  PHE  63           HD2      PHE  63   0.673   3.566  -5.921
  276    HE1  PHE  63           HE1      PHE  63   4.092   0.034  -6.007
  277    HE2  PHE  63           HE2      PHE  63   2.211   3.304  -4.023
  278    HZ   PHE  63           HZ       PHE  63   3.922   1.535  -4.063
  279    H    LYS  64           H        LYS  64  -1.656  -0.656  -9.272
  280    HA   LYS  64           HA       LYS  64  -3.179   1.001 -11.153
  281   1HB   LYS  64          1HB       LYS  64  -1.249  -1.188 -11.923
  282   2HB   LYS  64          2HB       LYS  64  -2.451  -0.526 -13.018
  283   1HG   LYS  64          1HG       LYS  64  -0.156   0.956 -11.755
  284   2HG   LYS  64          2HG       LYS  64  -0.324   0.501 -13.452
  285   1HD   LYS  64          1HD       LYS  64  -2.297   1.949 -13.638
  286   2HD   LYS  64          2HD       LYS  64  -2.117   2.404 -11.943
  287   1HE   LYS  64          1HE       LYS  64   0.183   3.241 -12.527
  288   2HE   LYS  64          2HE       LYS  64  -0.243   2.998 -14.222
  289   1HZ   LYS  64          1HZ       LYS  64  -0.734   5.225 -13.804
  290   2HZ   LYS  64          2HZ       LYS  64  -1.406   4.901 -12.281
  291   3HZ   LYS  64          3HZ       LYS  64  -2.246   4.465 -13.686
  292    H    ASP  65           H        ASP  65  -2.526  -2.437 -10.340
  293    HA   ASP  65           HA       ASP  65  -4.856  -3.238 -11.796
  294   1HB   ASP  65          1HB       ASP  65  -2.731  -4.563 -11.618
  295   2HB   ASP  65          2HB       ASP  65  -3.158  -4.917  -9.948
  296    H    VAL  66           H        VAL  66  -4.230  -2.530  -8.442
  297    HA   VAL  66           HA       VAL  66  -6.963  -3.403  -7.851
  298    HB   VAL  66           HB       VAL  66  -6.108  -3.646  -5.643
  299   1HG1  VAL  66          1HG1      VAL  66  -5.380  -5.532  -7.868
  300   2HG1  VAL  66          2HG1      VAL  66  -6.923  -5.465  -7.017
  301   3HG1  VAL  66          3HG1      VAL  66  -5.466  -5.968  -6.162
  302   1HG2  VAL  66          1HG2      VAL  66  -3.536  -3.820  -7.158
  303   2HG2  VAL  66          2HG2      VAL  66  -3.781  -4.345  -5.493
  304   3HG2  VAL  66          3HG2      VAL  66  -3.945  -2.640  -5.914
  305    H    ALA  67           H        ALA  67  -5.425  -0.763  -8.387
  306    HA   ALA  67           HA       ALA  67  -6.978   1.015  -6.964
  307   1HB   ALA  67          1HB       ALA  67  -5.911   0.184  -4.925
  308   2HB   ALA  67          2HB       ALA  67  -5.470   1.865  -5.223
  309   3HB   ALA  67          3HB       ALA  67  -4.324   0.573  -5.586
  310    HA   PRO  68           HA       PRO  68  -4.184   3.011  -9.979
  311   1HB   PRO  68          1HB       PRO  68  -6.283   3.961 -11.554
  312   2HB   PRO  68          2HB       PRO  68  -5.356   2.488 -11.844
  313   1HG   PRO  68          1HG       PRO  68  -8.102   2.708 -11.103
  314   2HG   PRO  68          2HG       PRO  68  -7.156   1.232 -11.335
  315   1HD   PRO  68          1HD       PRO  68  -7.919   2.603  -8.838
  316   2HD   PRO  68          2HD       PRO  68  -7.456   0.910  -9.105
  317    H    CYS  69           H        CYS  69  -5.572   4.090  -7.442
  318    HA   CYS  69           HA       CYS  69  -5.802   6.880  -8.138
  319   1HB   CYS  69          1HB       CYS  69  -5.423   5.532  -5.450
  320   2HB   CYS  69          2HB       CYS  69  -5.574   7.269  -5.655
  321    H    THR  70           H        THR  70  -3.307   4.653  -7.793
  322    HA   THR  70           HA       THR  70  -2.548   6.000  -5.398
  323    HB   THR  70           HB       THR  70  -1.571   3.518  -6.455
  324    HG1  THR  70           HG1      THR  70  -3.548   2.776  -6.231
  325   1HG2  THR  70          1HG2      THR  70  -1.563   2.957  -4.081
  326   2HG2  THR  70          2HG2      THR  70  -2.119   4.585  -3.694
  327   3HG2  THR  70          3HG2      THR  70  -0.529   4.345  -4.419
  328    H    ASP  71           H        ASP  71  -1.228   5.311  -8.505
  329    HA   ASP  71           HA       ASP  71   1.506   5.867  -7.753
  330   1HB   ASP  71          1HB       ASP  71   1.988   5.899 -10.153
  331   2HB   ASP  71          2HB       ASP  71   1.043   4.481  -9.719
  332    H    SER  72           H        SER  72   1.987   7.751  -6.973
  333    HA   SER  72           HA       SER  72   1.402  10.206  -8.344
  334   1HB   SER  72          1HB       SER  72   0.117   9.692  -5.639
  335   2HB   SER  72          2HB       SER  72   0.122  11.236  -6.492
  336    HG   SER  72           HG       SER  72  -0.800   9.236  -8.076
  337    HA   PRO  73           HA       PRO  73   5.180  11.402  -6.447
  338   1HB   PRO  73          1HB       PRO  73   4.604  14.034  -5.773
  339   2HB   PRO  73          2HB       PRO  73   5.143  13.485  -7.363
  340   1HG   PRO  73          1HG       PRO  73   2.377  14.064  -6.389
  341   2HG   PRO  73          2HG       PRO  73   3.114  14.430  -7.961
  342   1HD   PRO  73          1HD       PRO  73   1.430  12.375  -7.679
  343   2HD   PRO  73          2HD       PRO  73   2.859  12.245  -8.728
  344    H    GLU  74           H        GLU  74   2.207  12.092  -4.695
  345    HA   GLU  74           HA       GLU  74   3.634  12.502  -2.208
  346   1HB   GLU  74          1HB       GLU  74   1.342  12.885  -1.273
  347   2HB   GLU  74          2HB       GLU  74   1.810  13.979  -2.566
  348   1HG   GLU  74          1HG       GLU  74   0.524  12.504  -4.140
  349   2HG   GLU  74          2HG       GLU  74  -0.084  11.651  -2.720
  350    H    PHE  75           H        PHE  75   2.675   9.790  -3.848
  351    HA   PHE  75           HA       PHE  75   2.695   8.287  -1.326
  352   1HB   PHE  75          1HB       PHE  75   0.346   8.393  -2.174
  353   2HB   PHE  75          2HB       PHE  75   0.883   7.580  -3.644
  354    HD1  PHE  75           HD1      PHE  75   1.359   5.242  -3.667
  355    HD2  PHE  75           HD2      PHE  75   0.326   7.196  -0.029
  356    HE1  PHE  75           HE1      PHE  75   1.009   3.054  -2.599
  357    HE2  PHE  75           HE2      PHE  75  -0.029   5.009   1.045
  358    HZ   PHE  75           HZ       PHE  75   0.380   2.948  -0.195
  359    H    TYR  76           H        TYR  76   2.410   7.329  -4.742
  360    HA   TYR  76           HA       TYR  76   4.267   5.253  -4.625
  361   1HB   TYR  76          1HB       TYR  76   2.654   5.496  -6.458
  362   2HB   TYR  76          2HB       TYR  76   3.475   6.953  -7.003
  363    HD1  TYR  76           HD1      TYR  76   5.130   6.795  -8.638
  364    HD2  TYR  76           HD2      TYR  76   4.070   3.320  -6.431
  365    HE1  TYR  76           HE1      TYR  76   6.576   5.437 -10.090
  366    HE2  TYR  76           HE2      TYR  76   5.515   1.953  -7.872
  367    HH   TYR  76           HH       TYR  76   6.450   2.099 -10.213
  368    H    GLY  77           H        GLY  77   4.669   8.671  -5.323
  369   1HA   GLY  77          1HA       GLY  77   7.337   8.703  -6.107
  370   2HA   GLY  77          2HA       GLY  77   6.520  10.013  -5.269
  371    H    LYS  78           H        LYS  78   5.966   8.828  -2.830
  372    HA   LYS  78           HA       LYS  78   8.545   8.993  -1.593
  373   1HB   LYS  78          1HB       LYS  78   5.807   8.449  -0.439
  374   2HB   LYS  78          2HB       LYS  78   7.264   8.651   0.527
  375   1HG   LYS  78          1HG       LYS  78   6.037  10.716  -1.293
  376   2HG   LYS  78          2HG       LYS  78   5.975  10.701   0.473
  377   1HD   LYS  78          1HD       LYS  78   8.335  11.020   0.631
  378   2HD   LYS  78          2HD       LYS  78   8.542  10.771  -1.103
  379   1HE   LYS  78          1HE       LYS  78   7.227  12.815  -1.523
  380   2HE   LYS  78          2HE       LYS  78   7.105  13.072   0.217
  381   1HZ   LYS  78          1HZ       LYS  78   9.438  13.388   0.370
  382   2HZ   LYS  78          2HZ       LYS  78   8.904  14.354  -0.919
  383   3HZ   LYS  78          3HZ       LYS  78   9.691  12.881  -1.228
  384    H    PHE  79           H        PHE  79   6.183   6.433  -2.163
  385    HA   PHE  79           HA       PHE  79   7.373   4.335  -0.769
  386   1HB   PHE  79          1HB       PHE  79   5.177   4.082  -1.741
  387   2HB   PHE  79          2HB       PHE  79   5.815   4.336  -3.362
  388    HD1  PHE  79           HD1      PHE  79   5.533   1.961  -0.568
  389    HD2  PHE  79           HD2      PHE  79   6.925   2.583  -4.546
  390    HE1  PHE  79           HE1      PHE  79   5.887  -0.444  -0.820
  391    HE2  PHE  79           HE2      PHE  79   7.269   0.163  -4.803
  392    HZ   PHE  79           HZ       PHE  79   6.753  -1.345  -2.935
  393    H    LYS  80           H        LYS  80   8.054   5.618  -3.930
  394    HA   LYS  80           HA       LYS  80  10.124   3.640  -4.430
  395   1HB   LYS  80          1HB       LYS  80   9.085   5.952  -6.069
  396   2HB   LYS  80          2HB       LYS  80  10.412   4.922  -6.585
  397   1HG   LYS  80          1HG       LYS  80   7.627   3.958  -5.966
  398   2HG   LYS  80          2HG       LYS  80   8.252   4.292  -7.583
  399   1HD   LYS  80          1HD       LYS  80   9.522   2.327  -5.678
  400   2HD   LYS  80          2HD       LYS  80   8.318   1.872  -6.891
  401   1HE   LYS  80          1HE       LYS  80  10.901   3.284  -7.543
  402   2HE   LYS  80          2HE       LYS  80  10.720   1.532  -7.574
  403   1HZ   LYS  80          1HZ       LYS  80  10.413   2.919  -9.735
  404   2HZ   LYS  80          2HZ       LYS  80   8.853   3.190  -9.134
  405   3HZ   LYS  80          3HZ       LYS  80   9.388   1.609  -9.423
  406    H    GLU  81           H        GLU  81   9.859   6.673  -2.981
  407    HA   GLU  81           HA       GLU  81  12.295   7.845  -3.882
  408   1HB   GLU  81          1HB       GLU  81  10.321   9.088  -2.936
  409   2HB   GLU  81          2HB       GLU  81  10.788   8.496  -1.349
  410   1HG   GLU  81          1HG       GLU  81  12.987   9.611  -1.652
  411   2HG   GLU  81          2HG       GLU  81  12.371  10.306  -3.152
  412    H    GLY  82           H        GLY  82  11.373   5.855  -1.147
  413   1HA   GLY  82          1HA       GLY  82  13.910   6.106   0.185
  414   2HA   GLY  82          2HA       GLY  82  12.634   4.957   0.572
  415    H    VAL  83           H        VAL  83  12.366   3.670  -1.849
  416    HA   VAL  83           HA       VAL  83  14.349   1.747  -1.966
  417    HB   VAL  83           HB       VAL  83  12.896   2.775  -4.221
  418   1HG1  VAL  83          1HG1      VAL  83  13.991   0.066  -3.479
  419   2HG1  VAL  83          2HG1      VAL  83  14.610   1.133  -4.739
  420   3HG1  VAL  83          3HG1      VAL  83  13.006   0.417  -4.898
  421   1HG2  VAL  83          1HG2      VAL  83  11.993   0.890  -2.066
  422   2HG2  VAL  83          2HG2      VAL  83  11.127   1.255  -3.559
  423   3HG2  VAL  83          3HG2      VAL  83  11.376   2.518  -2.353
  424    H    ALA  84           H        ALA  84  13.963   4.642  -3.981
  425    HA   ALA  84           HA       ALA  84  16.192   4.224  -5.631
  426   1HB   ALA  84          1HB       ALA  84  14.837   6.817  -4.912
  427   2HB   ALA  84          2HB       ALA  84  14.358   5.722  -6.209
  428   3HB   ALA  84          3HB       ALA  84  15.912   6.555  -6.285
  429    H    SER  85           H        SER  85  15.902   5.739  -2.472
  430    HA   SER  85           HA       SER  85  18.627   6.739  -2.628
  431   1HB   SER  85          1HB       SER  85  18.137   7.646  -0.337
  432   2HB   SER  85          2HB       SER  85  17.055   8.236  -1.597
  433    HG   SER  85           HG       SER  85  15.689   7.661  -0.029
  434    H    GLY  86           H        GLY  86  16.905   4.953  -0.062
  435   1HA   GLY  86          1HA       GLY  86  18.836   2.848  -0.048
  436   2HA   GLY  86          2HA       GLY  86  19.131   4.003   1.240
  437    H    ASN  87           H        ASN  87  16.692   4.620   2.200
  438    HA   ASN  87           HA       ASN  87  15.790   1.988   3.150
  439   1HB   ASN  87          1HB       ASN  87  15.606   2.948   5.422
  440   2HB   ASN  87          2HB       ASN  87  17.259   2.950   4.818
  441   1HD2  ASN  87          1HD2      ASN  87  18.255   4.907   4.316
  442   2HD2  ASN  87          2HD2      ASN  87  17.605   6.427   4.842
  443    H    LEU  88           H        LEU  88  13.694   1.786   3.880
  444    HA   LEU  88           HA       LEU  88  11.826   3.846   2.939
  445   1HB   LEU  88          1HB       LEU  88  11.591   0.845   3.090
  446   2HB   LEU  88          2HB       LEU  88  10.184   1.875   2.937
  447    HG   LEU  88           HG       LEU  88  10.744   0.985   0.786
  448   1HD1  LEU  88          1HD1      LEU  88  11.542   3.883   0.957
  449   2HD1  LEU  88          2HD1      LEU  88   9.896   3.257   0.852
  450   3HD1  LEU  88          3HD1      LEU  88  11.011   3.034  -0.496
  451   1HD2  LEU  88          1HD2      LEU  88  13.079   0.453   1.123
  452   2HD2  LEU  88          2HD2      LEU  88  13.490   2.167   1.202
  453   3HD2  LEU  88          3HD2      LEU  88  12.897   1.470  -0.307
  454    H    ASN  89           H        ASN  89  11.294   4.999   4.766
  455    HA   ASN  89           HA       ASN  89   9.512   3.711   6.536
  456   1HB   ASN  89          1HB       ASN  89  10.674   4.077   8.662
  457   2HB   ASN  89          2HB       ASN  89  11.493   2.899   7.655
  458   1HD2  ASN  89          1HD2      ASN  89  13.493   3.379   6.794
  459   2HD2  ASN  89          2HD2      ASN  89  14.448   4.709   7.346
  460    H    THR  90           H        THR  90   8.008   5.125   6.451
  461    HA   THR  90           HA       THR  90   8.271   7.522   7.941
  462    HB   THR  90           HB       THR  90   9.129   8.137   5.872
  463    HG1  THR  90           HG1      THR  90   8.017  10.041   5.950
  464   1HG2  THR  90          1HG2      THR  90   6.347   7.531   4.901
  465   2HG2  THR  90          2HG2      THR  90   7.848   6.780   4.359
  466   3HG2  THR  90          3HG2      THR  90   7.544   8.485   4.024
  467    H    MET  91           H        MET  91   6.184   8.513   8.312
  468    HA   MET  91           HA       MET  91   3.908   6.933   7.319
  469   1HB   MET  91          1HB       MET  91   2.770   7.177   9.456
  470   2HB   MET  91          2HB       MET  91   4.316   6.376   9.683
  471   1HG   MET  91          1HG       MET  91   5.288   8.386  10.562
  472   2HG   MET  91          2HG       MET  91   3.820   9.296  10.208
  473   1HE   MET  91          1HE       MET  91   5.195   9.338  13.065
  474   2HE   MET  91          2HE       MET  91   3.777   9.192  14.105
  475   3HE   MET  91          3HE       MET  91   3.715  10.210  12.665
  476    H    PHE  92           H        PHE  92   2.602   8.135   6.142
  477    HA   PHE  92           HA       PHE  92   2.172  10.930   6.906
  478   1HB   PHE  92          1HB       PHE  92   2.184  11.610   4.518
  479   2HB   PHE  92          2HB       PHE  92   3.757  11.063   5.078
  480    HD1  PHE  92           HD1      PHE  92   0.915  10.333   2.901
  481    HD2  PHE  92           HD2      PHE  92   4.745   9.031   4.222
  482    HE1  PHE  92           HE1      PHE  92   1.040   8.778   0.998
  483    HE2  PHE  92           HE2      PHE  92   4.874   7.469   2.327
  484    HZ   PHE  92           HZ       PHE  92   3.021   7.344   0.710
  485    H    GLU  93           H        GLU  93   0.158  11.812   5.752
  486    HA   GLU  93           HA       GLU  93  -1.832   9.656   5.847
  487   1HB   GLU  93          1HB       GLU  93  -2.286  12.624   6.195
  488   2HB   GLU  93          2HB       GLU  93  -3.462  11.341   6.461
  489   1HG   GLU  93          1HG       GLU  93  -1.944  10.451   8.244
  490   2HG   GLU  93          2HG       GLU  93  -0.979  11.913   8.053
  491    H    TYR  94           H        TYR  94  -2.597   8.993   3.997
  492    HA   TYR  94           HA       TYR  94  -2.666  10.868   1.728
  493   1HB   TYR  94          1HB       TYR  94  -0.933   9.127   1.448
  494   2HB   TYR  94          2HB       TYR  94  -2.157   7.882   1.660
  495    HD1  TYR  94           HD1      TYR  94  -2.898   6.863  -0.260
  496    HD2  TYR  94           HD2      TYR  94  -1.620  10.913  -0.484
  497    HE1  TYR  94           HE1      TYR  94  -3.315   6.850  -2.683
  498    HE2  TYR  94           HE2      TYR  94  -2.034  10.914  -2.910
  499    HH   TYR  94           HH       TYR  94  -2.271   9.394  -4.756
  500    H    THR  95           H        THR  95  -4.410  10.570   0.228
  501    HA   THR  95           HA       THR  95  -6.782   9.466   1.555
  502    HB   THR  95           HB       THR  95  -6.622  11.238  -0.700
  503    HG1  THR  95           HG1      THR  95  -5.556  11.933   1.372
  504   1HG2  THR  95          1HG2      THR  95  -8.757  10.123  -0.391
  505   2HG2  THR  95          2HG2      THR  95  -8.870  11.822   0.069
  506   3HG2  THR  95          3HG2      THR  95  -8.762  10.575   1.313
  507    H    PHE  96           H        PHE  96  -7.888   7.833   0.671
  508    HA   PHE  96           HA       PHE  96  -7.107   6.898  -2.023
  509   1HB   PHE  96          1HB       PHE  96  -8.013   5.368   0.417
  510   2HB   PHE  96          2HB       PHE  96  -7.978   4.660  -1.194
  511    HD1  PHE  96           HD1      PHE  96  -5.811   4.395  -2.374
  512    HD2  PHE  96           HD2      PHE  96  -6.033   5.623   1.695
  513    HE1  PHE  96           HE1      PHE  96  -3.443   3.799  -2.070
  514    HE2  PHE  96           HE2      PHE  96  -3.665   5.028   2.006
  515    HZ   PHE  96           HZ       PHE  96  -2.366   4.115   0.124
  516    H    ASP  97           H        ASP  97  -8.599   7.109  -3.510
  517    HA   ASP  97           HA       ASP  97 -11.415   7.301  -2.670
  518   1HB   ASP  97          1HB       ASP  97 -10.533   8.739  -5.122
  519   2HB   ASP  97          2HB       ASP  97 -11.763   9.172  -3.939
  520    H    TYR  98           H        TYR  98 -12.117   7.684  -5.524
  521    HA   TYR  98           HA       TYR  98 -12.604   6.558  -7.424
  522   1HB   TYR  98          1HB       TYR  98 -10.126   6.381  -7.590
  523   2HB   TYR  98          2HB       TYR  98 -10.214   4.829  -6.769
  524    HD1  TYR  98           HD1      TYR  98 -10.265   2.909  -8.062
  525    HD2  TYR  98           HD2      TYR  98 -11.638   6.570  -9.748
  526    HE1  TYR  98           HE1      TYR  98 -10.564   1.795 -10.239
  527    HE2  TYR  98           HE2      TYR  98 -11.941   5.465 -11.923
  528    HH   TYR  98           HH       TYR  98 -11.884   2.095 -12.300
  529    H    GLN  99           H        GLN  99 -11.287   3.663  -5.861
  530    HA   GLN  99           HA       GLN  99 -13.757   2.256  -6.231
  531   1HB   GLN  99          1HB       GLN  99 -11.231   1.528  -4.734
  532   2HB   GLN  99          2HB       GLN  99 -12.611   0.452  -4.887
  533   1HG   GLN  99          1HG       GLN  99 -12.349   0.459  -7.313
  534   2HG   GLN  99          2HG       GLN  99 -10.963   1.539  -7.161
  535   1HE2  GLN  99          1HE2      GLN  99  -9.039   0.745  -6.312
  536   2HE2  GLN  99          2HE2      GLN  99  -8.713  -0.945  -6.179
  537    H    MET 100           H        MET 100 -11.932   3.362  -3.417
  538    HA   MET 100           HA       MET 100 -14.270   2.997  -1.709
  539   1HB   MET 100          1HB       MET 100 -12.060   2.234  -0.910
  540   2HB   MET 100          2HB       MET 100 -11.457   3.880  -1.046
  541   1HG   MET 100          1HG       MET 100 -12.902   4.631   0.695
  542   2HG   MET 100          2HG       MET 100 -13.739   3.081   0.739
  543   1HE   MET 100          1HE       MET 100  -9.317   3.556   1.987
  544   2HE   MET 100          2HE       MET 100 -10.294   4.901   1.398
  545   3HE   MET 100          3HE       MET 100  -9.872   3.576   0.312
  546    H    THR 101           H        THR 101 -15.562   4.634  -1.124
  547    HA   THR 101           HA       THR 101 -15.519   7.165  -2.246
  548    HB   THR 101           HB       THR 101 -16.434   6.495   0.396
  549    HG1  THR 101           HG1      THR 101 -17.528   5.035  -0.725
  550   1HG2  THR 101          1HG2      THR 101 -16.504   8.867  -0.197
  551   2HG2  THR 101          2HG2      THR 101 -18.121   8.165  -0.121
  552   3HG2  THR 101          3HG2      THR 101 -17.361   8.467  -1.685
  553    HA   PRO 102           HA       PRO 102 -11.725   9.042  -1.108
  554   1HB   PRO 102          1HB       PRO 102 -13.586  11.208  -0.204
  555   2HB   PRO 102          2HB       PRO 102 -12.098  11.329  -1.150
  556   1HG   PRO 102          1HG       PRO 102 -14.660  11.247  -2.220
  557   2HG   PRO 102          2HG       PRO 102 -13.170  10.882  -3.104
  558   1HD   PRO 102          1HD       PRO 102 -15.288   9.089  -2.484
  559   2HD   PRO 102          2HD       PRO 102 -13.717   8.682  -3.203
  560    H    THR 103           H        THR 103 -11.146   7.680   0.605
  561    HA   THR 103           HA       THR 103 -11.992   8.555   3.291
  562    HB   THR 103           HB       THR 103 -10.577   6.185   2.485
  563    HG1  THR 103           HG1      THR 103 -12.984   6.823   1.856
  564   1HG2  THR 103          1HG2      THR 103 -11.305   5.377   4.660
  565   2HG2  THR 103          2HG2      THR 103 -12.031   6.947   5.013
  566   3HG2  THR 103          3HG2      THR 103 -10.281   6.803   4.835
  567    H    LYS 104           H        LYS 104 -10.511   9.054   4.881
  568    HA   LYS 104           HA       LYS 104  -7.815   9.706   3.910
  569   1HB   LYS 104          1HB       LYS 104  -8.998  11.621   4.756
  570   2HB   LYS 104          2HB       LYS 104  -9.466  10.754   6.213
  571   1HG   LYS 104          1HG       LYS 104  -6.987  10.593   6.731
  572   2HG   LYS 104          2HG       LYS 104  -6.754  11.782   5.448
  573   1HD   LYS 104          1HD       LYS 104  -8.140  13.374   6.606
  574   2HD   LYS 104          2HD       LYS 104  -8.557  12.174   7.832
  575   1HE   LYS 104          1HE       LYS 104  -6.884  13.591   8.760
  576   2HE   LYS 104          2HE       LYS 104  -6.129  12.039   8.408
  577   1HZ   LYS 104          1HZ       LYS 104  -5.474  13.168   6.202
  578   2HZ   LYS 104          2HZ       LYS 104  -4.609  13.561   7.612
  579   3HZ   LYS 104          3HZ       LYS 104  -5.795  14.619   7.024
  580    H    VAL 105           H        VAL 105  -6.252   8.337   4.480
  581    HA   VAL 105           HA       VAL 105  -6.385   7.155   7.168
  582    HB   VAL 105           HB       VAL 105  -5.244   5.331   6.384
  583   1HG1  VAL 105          1HG1      VAL 105  -7.656   5.288   6.700
  584   2HG1  VAL 105          2HG1      VAL 105  -7.188   4.296   5.319
  585   3HG1  VAL 105          3HG1      VAL 105  -7.892   5.891   5.060
  586   1HG2  VAL 105          1HG2      VAL 105  -5.805   6.454   3.656
  587   2HG2  VAL 105          2HG2      VAL 105  -5.190   4.840   4.005
  588   3HG2  VAL 105          3HG2      VAL 105  -4.217   6.259   4.395
  589    H    LYS 106           H        LYS 106  -4.267   6.480   8.000
  590    HA   LYS 106           HA       LYS 106  -2.076   8.156   6.976
  591   1HB   LYS 106          1HB       LYS 106  -2.801   8.288   9.442
  592   2HB   LYS 106          2HB       LYS 106  -2.135   6.669   9.608
  593   1HG   LYS 106          1HG       LYS 106   0.031   7.637   8.694
  594   2HG   LYS 106          2HG       LYS 106  -0.690   9.221   8.974
  595   1HD   LYS 106          1HD       LYS 106  -0.214   7.080  11.045
  596   2HD   LYS 106          2HD       LYS 106   0.714   8.564  10.850
  597   1HE   LYS 106          1HE       LYS 106  -2.211   8.398  11.565
  598   2HE   LYS 106          2HE       LYS 106  -0.898   8.705  12.698
  599   1HZ   LYS 106          1HZ       LYS 106  -2.047  10.482  10.655
  600   2HZ   LYS 106          2HZ       LYS 106  -0.412  10.663  11.056
  601   3HZ   LYS 106          3HZ       LYS 106  -1.595  10.818  12.257
  602    H    VAL 107           H        VAL 107  -0.320   7.140   6.069
  603    HA   VAL 107           HA       VAL 107  -0.471   4.217   6.079
  604    HB   VAL 107           HB       VAL 107  -1.048   5.047   4.095
  605   1HG1  VAL 107          1HG1      VAL 107   0.010   7.235   4.171
  606   2HG1  VAL 107          2HG1      VAL 107   0.483   6.355   2.717
  607   3HG1  VAL 107          3HG1      VAL 107   1.600   6.479   4.077
  608   1HG2  VAL 107          1HG2      VAL 107   0.214   2.991   4.175
  609   2HG2  VAL 107          2HG2      VAL 107   1.723   3.900   4.075
  610   3HG2  VAL 107          3HG2      VAL 107   0.594   3.914   2.719
  611    H    HIS 108           H        HIS 108   1.203   3.147   6.744
  612    HA   HIS 108           HA       HIS 108   3.648   4.659   7.347
  613   1HB   HIS 108          1HB       HIS 108   2.447   3.526   9.244
  614   2HB   HIS 108          2HB       HIS 108   2.767   1.980   8.467
  615    HD1  HIS 108           HD1      HIS 108   4.093   1.345  10.670
  616    HD2  HIS 108           HD2      HIS 108   5.726   4.459   8.445
  617    HE1  HIS 108           HE1      HIS 108   6.450   1.625  11.513
  618    HE2  HIS 108           HE2      HIS 108   7.341   3.643  10.290
  619    H    MET 109           H        MET 109   5.185   4.408   5.930
  620    HA   MET 109           HA       MET 109   5.369   1.914   4.358
  621   1HB   MET 109          1HB       MET 109   5.227   4.044   3.110
  622   2HB   MET 109          2HB       MET 109   6.659   4.629   3.936
  623   1HG   MET 109          1HG       MET 109   7.850   2.620   2.880
  624   2HG   MET 109          2HG       MET 109   6.433   2.498   1.838
  625   1HE   MET 109          1HE       MET 109   9.483   4.714   2.923
  626   2HE   MET 109          2HE       MET 109   8.110   5.749   3.307
  627   3HE   MET 109          3HE       MET 109   9.201   6.182   1.989
  628    H    LYS 110           H        LYS 110   7.031   0.521   4.761
  629    HA   LYS 110           HA       LYS 110   9.461   1.471   6.029
  630   1HB   LYS 110          1HB       LYS 110   9.275  -0.096   7.963
  631   2HB   LYS 110          2HB       LYS 110   8.117   1.225   8.016
  632   1HG   LYS 110          1HG       LYS 110   6.352  -0.242   7.262
  633   2HG   LYS 110          2HG       LYS 110   7.500  -1.570   7.077
  634   1HD   LYS 110          1HD       LYS 110   6.950  -0.174   9.693
  635   2HD   LYS 110          2HD       LYS 110   6.131  -1.647   9.173
  636   1HE   LYS 110          1HE       LYS 110   8.253  -2.825   9.081
  637   2HE   LYS 110          2HE       LYS 110   9.113  -1.347   9.514
  638   1HZ   LYS 110          1HZ       LYS 110   7.158  -2.801  11.225
  639   2HZ   LYS 110          2HZ       LYS 110   7.934  -1.346  11.638
  640   3HZ   LYS 110          3HZ       LYS 110   8.845  -2.758  11.436
  641    H    LYS 111           H        LYS 111  11.177   0.031   5.740
  642    HA   LYS 111           HA       LYS 111  10.670  -1.910   3.650
  643   1HB   LYS 111          1HB       LYS 111  12.611  -0.313   3.568
  644   2HB   LYS 111          2HB       LYS 111  13.325  -1.197   4.913
  645   1HG   LYS 111          1HG       LYS 111  13.018  -3.268   3.372
  646   2HG   LYS 111          2HG       LYS 111  12.903  -2.063   2.090
  647   1HD   LYS 111          1HD       LYS 111  15.200  -2.210   4.029
  648   2HD   LYS 111          2HD       LYS 111  15.191  -3.028   2.467
  649   1HE   LYS 111          1HE       LYS 111  14.773  -0.786   1.414
  650   2HE   LYS 111          2HE       LYS 111  15.068  -0.067   2.997
  651   1HZ   LYS 111          1HZ       LYS 111  17.274  -1.139   2.980
  652   2HZ   LYS 111          2HZ       LYS 111  17.080  -0.022   1.718
  653   3HZ   LYS 111          3HZ       LYS 111  16.983  -1.688   1.401
  654    H    ALA 112           H        ALA 112  10.698  -4.044   3.823
  655    HA   ALA 112           HA       ALA 112  11.719  -5.256   6.306
  656   1HB   ALA 112          1HB       ALA 112  10.328  -7.192   5.775
  657   2HB   ALA 112          2HB       ALA 112   9.773  -6.404   4.298
  658   3HB   ALA 112          3HB       ALA 112   9.342  -5.733   5.873
  659    H    LEU 113           H        LEU 113  12.740  -7.456   5.872
  660    HA   LEU 113           HA       LEU 113  14.351  -7.204   3.431
  661   1HB   LEU 113          1HB       LEU 113  16.011  -8.644   4.614
  662   2HB   LEU 113          2HB       LEU 113  15.789  -7.028   5.247
  663    HG   LEU 113           HG       LEU 113  14.244  -9.221   6.535
  664   1HD1  LEU 113          1HD1      LEU 113  16.144  -9.814   7.949
  665   2HD1  LEU 113          2HD1      LEU 113  17.195  -8.773   6.988
  666   3HD1  LEU 113          3HD1      LEU 113  16.468 -10.206   6.261
  667   1HD2  LEU 113          1HD2      LEU 113  15.742  -6.818   7.588
  668   2HD2  LEU 113          2HD2      LEU 113  14.715  -7.896   8.533
  669   3HD2  LEU 113          3HD2      LEU 113  14.010  -6.892   7.270
  670    H    SER 114           H        SER 114  11.747  -8.464   3.699
  671    HA   SER 114           HA       SER 114  12.177 -11.255   3.163
  672   1HB   SER 114          1HB       SER 114   9.984 -10.201   3.972
  673   2HB   SER 114          2HB       SER 114   9.784  -9.592   2.330
  674    HG   SER 114           HG       SER 114   9.448 -12.132   3.331
  675    H    GLY 115           H        GLY 115  13.878 -11.128   1.633
  676   1HA   GLY 115          1HA       GLY 115  14.850 -10.870  -0.442
  677   2HA   GLY 115          2HA       GLY 115  13.239 -10.577  -1.093
  678    H    ASP 116           H        ASP 116  12.437  -8.525  -1.188
  679    HA   ASP 116           HA       ASP 116  13.605  -6.311   0.150
  680   1HB   ASP 116          1HB       ASP 116  15.172  -6.452  -1.793
  681   2HB   ASP 116          2HB       ASP 116  13.799  -6.277  -2.878
  682    H    SER 117           H        SER 117  11.495  -6.315   0.927
  683    HA   SER 117           HA       SER 117   9.650  -4.922  -0.780
  684   1HB   SER 117          1HB       SER 117   7.767  -6.485   0.049
  685   2HB   SER 117          2HB       SER 117   8.798  -7.071  -1.262
  686    HG   SER 117           HG       SER 117   9.832  -8.409   0.145
  687    H    TYR 118           H        TYR 118   7.923  -3.890   0.451
  688    HA   TYR 118           HA       TYR 118   8.935  -3.239   3.121
  689   1HB   TYR 118          1HB       TYR 118   7.409  -1.289   1.433
  690   2HB   TYR 118          2HB       TYR 118   8.687  -0.985   2.614
  691    HD1  TYR 118           HD1      TYR 118   7.936  -1.094  -0.802
  692    HD2  TYR 118           HD2      TYR 118  11.045  -1.988   1.952
  693    HE1  TYR 118           HE1      TYR 118   9.587  -0.863  -2.607
  694    HE2  TYR 118           HE2      TYR 118  12.710  -1.765   0.151
  695    HH   TYR 118           HH       TYR 118  12.099  -0.270  -2.736
  696    H    TRP 119           H        TRP 119   7.300  -2.467   4.594
  697    HA   TRP 119           HA       TRP 119   4.735  -3.796   4.130
  698   1HB   TRP 119          1HB       TRP 119   6.232  -2.986   6.612
  699   2HB   TRP 119          2HB       TRP 119   4.508  -3.341   6.668
  700    HD1  TRP 119           HD1      TRP 119   7.850  -4.986   6.753
  701    HE1  TRP 119           HE1      TRP 119   7.569  -7.545   6.828
  702    HE3  TRP 119           HE3      TRP 119   2.873  -5.280   5.641
  703    HZ2  TRP 119           HZ2      TRP 119   5.505  -9.436   6.452
  704    HZ3  TRP 119           HZ3      TRP 119   1.819  -7.499   5.513
  705    HH2  TRP 119           HH2      TRP 119   3.109  -9.533   5.910
  706    H    VAL 120           H        VAL 120   3.317  -2.490   3.278
  707    HA   VAL 120           HA       VAL 120   3.258   0.295   4.180
  708    HB   VAL 120           HB       VAL 120   3.491   0.003   1.992
  709   1HG1  VAL 120          1HG1      VAL 120   1.793  -1.074   0.602
  710   2HG1  VAL 120          2HG1      VAL 120   0.959  -1.624   2.056
  711   3HG1  VAL 120          3HG1      VAL 120   2.577  -2.222   1.688
  712   1HG2  VAL 120          1HG2      VAL 120   1.549   1.257   1.210
  713   2HG2  VAL 120          2HG2      VAL 120   2.186   1.877   2.735
  714   3HG2  VAL 120          3HG2      VAL 120   0.721   0.894   2.725
  715    H    PHE 121           H        PHE 121   1.951   0.695   5.785
  716    HA   PHE 121           HA       PHE 121  -0.368  -1.055   6.222
  717   1HB   PHE 121          1HB       PHE 121   1.074   0.778   8.148
  718   2HB   PHE 121          2HB       PHE 121  -0.303  -0.239   8.555
  719    HD1  PHE 121           HD1      PHE 121   3.250  -0.053   8.186
  720    HD2  PHE 121           HD2      PHE 121  -0.043  -2.734   8.398
  721    HE1  PHE 121           HE1      PHE 121   4.791  -1.893   8.717
  722    HE2  PHE 121           HE2      PHE 121   1.491  -4.581   8.936
  723    HZ   PHE 121           HZ       PHE 121   3.899  -4.157   9.149
  724    H    VAL 122           H        VAL 122  -2.349  -0.304   5.968
  725    HA   VAL 122           HA       VAL 122  -2.724   2.605   5.846
  726    HB   VAL 122           HB       VAL 122  -4.889   1.978   5.018
  727   1HG1  VAL 122          1HG1      VAL 122  -3.116   3.023   3.729
  728   2HG1  VAL 122          2HG1      VAL 122  -3.903   1.771   2.770
  729   3HG1  VAL 122          3HG1      VAL 122  -2.332   1.459   3.505
  730   1HG2  VAL 122          1HG2      VAL 122  -3.432  -0.615   4.565
  731   2HG2  VAL 122          2HG2      VAL 122  -4.966  -0.145   3.834
  732   3HG2  VAL 122          3HG2      VAL 122  -4.859  -0.388   5.577
  733    H    LYS 123           H        LYS 123  -3.171   3.376   7.756
  734    HA   LYS 123           HA       LYS 123  -5.263   2.063   9.370
  735   1HB   LYS 123          1HB       LYS 123  -3.287   1.878  10.643
  736   2HB   LYS 123          2HB       LYS 123  -2.728   3.476  10.178
  737   1HG   LYS 123          1HG       LYS 123  -3.408   3.462  12.493
  738   2HG   LYS 123          2HG       LYS 123  -4.490   4.484  11.548
  739   1HD   LYS 123          1HD       LYS 123  -6.091   2.579  11.445
  740   2HD   LYS 123          2HD       LYS 123  -5.029   1.690  12.542
  741   1HE   LYS 123          1HE       LYS 123  -5.313   3.376  14.247
  742   2HE   LYS 123          2HE       LYS 123  -6.266   4.371  13.148
  743   1HZ   LYS 123          1HZ       LYS 123  -7.722   3.203  14.619
  744   2HZ   LYS 123          2HZ       LYS 123  -7.011   1.711  14.233
  745   3HZ   LYS 123          3HZ       LYS 123  -7.906   2.550  13.063
  746    H    ARG 124           H        ARG 124  -7.096   3.227   9.464
  747    HA   ARG 124           HA       ARG 124  -7.219   5.854   8.395
  748   1HB   ARG 124          1HB       ARG 124  -9.149   4.324   8.278
  749   2HB   ARG 124          2HB       ARG 124  -9.305   4.398  10.031
  750   1HG   ARG 124          1HG       ARG 124  -9.689   6.824   9.873
  751   2HG   ARG 124          2HG       ARG 124  -9.601   6.704   8.118
  752   1HD   ARG 124          1HD       ARG 124 -11.544   5.208   8.133
  753   2HD   ARG 124          2HD       ARG 124 -11.633   5.355   9.892
  754    HE   ARG 124           HE       ARG 124 -11.657   7.926   8.741
  755   1HH1  ARG 124          1HH1      ARG 124 -13.723   5.116   9.100
  756   2HH1  ARG 124          2HH1      ARG 124 -15.192   6.038   8.976
  757   1HH2  ARG 124          1HH2      ARG 124 -13.586   9.120   8.590
  758   2HH2  ARG 124          2HH2      ARG 124 -15.119   8.309   8.689
  759    H    VAL 125           H        VAL 125  -7.225   7.786   9.349
  760    HA   VAL 125           HA       VAL 125  -6.851   7.840  12.254
  761    HB   VAL 125           HB       VAL 125  -6.015  10.047  11.789
  762   1HG1  VAL 125          1HG1      VAL 125  -3.804   9.051  11.397
  763   2HG1  VAL 125          2HG1      VAL 125  -4.578   7.529  10.960
  764   3HG1  VAL 125          3HG1      VAL 125  -4.725   8.153  12.602
  765   1HG2  VAL 125          1HG2      VAL 125  -6.700  10.216   9.450
  766   2HG2  VAL 125          2HG2      VAL 125  -5.700   8.818   9.058
  767   3HG2  VAL 125          3HG2      VAL 125  -4.947  10.308   9.622
  768    H2   HC4 169           H2       HC4 169  -7.865   4.322  -3.647
  769    H3   HC4 169           H3       HC4 169  -8.236   1.954  -5.415
  770    H2'  HC4 169           H2'      HC4 169  -8.324  -0.227  -4.099
  771    H3'  HC4 169           H3'      HC4 169  -8.677  -1.426  -1.982
  772    H5'  HC4 169           H5'      HC4 169  -8.164   2.232   0.140
  773    H6'  HC4 169           H6'      HC4 169  -8.011   3.442  -1.989
  Start of MODEL    3
    1    H    LEU  26           H        LEU  26 -11.087  -5.589  15.579
    2    HA   LEU  26           HA       LEU  26 -10.922  -6.128  12.678
    3   1HB   LEU  26          1HB       LEU  26 -12.102  -4.046  13.376
    4   2HB   LEU  26          2HB       LEU  26 -10.672  -3.540  14.226
    5    HG   LEU  26           HG       LEU  26 -11.123  -2.477  12.023
    6   1HD1  LEU  26          1HD1      LEU  26  -8.964  -2.293  13.084
    7   2HD1  LEU  26          2HD1      LEU  26  -8.782  -2.433  11.336
    8   3HD1  LEU  26          3HD1      LEU  26  -8.466  -3.827  12.370
    9   1HD2  LEU  26          1HD2      LEU  26 -10.415  -3.685  10.007
   10   2HD2  LEU  26          2HD2      LEU  26 -11.824  -4.423  10.768
   11   3HD2  LEU  26          3HD2      LEU  26 -10.229  -5.149  10.972
   12    H    ALA  27           H        ALA  27  -8.897  -5.960  11.781
   13    HA   ALA  27           HA       ALA  27  -6.656  -5.999  13.656
   14   1HB   ALA  27          1HB       ALA  27  -7.031  -7.818  11.277
   15   2HB   ALA  27          2HB       ALA  27  -7.195  -8.290  12.969
   16   3HB   ALA  27          3HB       ALA  27  -5.627  -7.779  12.345
   17    H    PHE  28           H        PHE  28  -5.490  -4.350  13.248
   18    HA   PHE  28           HA       PHE  28  -5.212  -2.526  11.381
   19   1HB   PHE  28          1HB       PHE  28  -3.218  -3.893  13.058
   20   2HB   PHE  28          2HB       PHE  28  -2.554  -3.001  11.692
   21    HD1  PHE  28           HD1      PHE  28  -2.464  -0.649  11.697
   22    HD2  PHE  28           HD2      PHE  28  -4.598  -2.704  14.746
   23    HE1  PHE  28           HE1      PHE  28  -2.644   1.444  12.975
   24    HE2  PHE  28           HE2      PHE  28  -4.780  -0.616  16.031
   25    HZ   PHE  28           HZ       PHE  28  -3.802   1.463  15.147
   26    H    GLY  29           H        GLY  29  -4.001  -2.085   9.486
   27   1HA   GLY  29          1HA       GLY  29  -4.066  -4.423   7.724
   28   2HA   GLY  29          2HA       GLY  29  -4.257  -2.751   7.220
   29    H    ALA  30           H        ALA  30  -2.143  -5.333   7.665
   30    HA   ALA  30           HA       ALA  30   0.174  -3.649   7.007
   31   1HB   ALA  30          1HB       ALA  30   0.444  -4.936   9.078
   32   2HB   ALA  30          2HB       ALA  30   1.578  -5.466   7.837
   33   3HB   ALA  30          3HB       ALA  30   0.142  -6.428   8.188
   34    H    ILE  31           H        ILE  31   0.426  -3.605   4.880
   35    HA   ILE  31           HA       ILE  31  -0.060  -6.060   3.338
   36    HB   ILE  31           HB       ILE  31   0.395  -3.396   2.358
   37   1HG1  ILE  31          1HG1      ILE  31  -2.213  -4.764   3.019
   38   2HG1  ILE  31          2HG1      ILE  31  -1.533  -3.387   3.879
   39   1HG2  ILE  31          1HG2      ILE  31   0.726  -5.204   0.766
   40   2HG2  ILE  31          2HG2      ILE  31  -0.766  -4.334   0.405
   41   3HG2  ILE  31          3HG2      ILE  31  -0.832  -5.901   1.211
   42   1HD1  ILE  31          1HD1      ILE  31  -3.283  -2.703   2.337
   43   2HD1  ILE  31          2HD1      ILE  31  -2.384  -3.412   0.994
   44   3HD1  ILE  31          3HD1      ILE  31  -1.721  -2.029   1.866
   45    H    GLN  32           H        GLN  32   1.552  -6.684   1.770
   46    HA   GLN  32           HA       GLN  32   4.218  -5.595   2.366
   47   1HB   GLN  32          1HB       GLN  32   3.996  -7.921   3.039
   48   2HB   GLN  32          2HB       GLN  32   3.415  -8.359   1.439
   49   1HG   GLN  32          1HG       GLN  32   5.560  -7.852   0.474
   50   2HG   GLN  32          2HG       GLN  32   6.151  -7.255   2.026
   51   1HE2  GLN  32          1HE2      GLN  32   7.843  -8.760   1.934
   52   2HE2  GLN  32          2HE2      GLN  32   7.587 -10.432   2.290
   53    H    LEU  33           H        LEU  33   4.817  -4.235   0.817
   54    HA   LEU  33           HA       LEU  33   4.068  -4.846  -1.965
   55   1HB   LEU  33          1HB       LEU  33   4.880  -2.158  -0.867
   56   2HB   LEU  33          2HB       LEU  33   4.258  -2.494  -2.468
   57    HG   LEU  33           HG       LEU  33   2.739  -2.558   0.129
   58   1HD1  LEU  33          1HD1      LEU  33   2.487  -0.850  -2.331
   59   2HD1  LEU  33          2HD1      LEU  33   3.102  -0.346  -0.757
   60   3HD1  LEU  33          3HD1      LEU  33   1.410  -0.805  -0.936
   61   1HD2  LEU  33          1HD2      LEU  33   1.768  -3.289  -2.632
   62   2HD2  LEU  33          2HD2      LEU  33   0.775  -3.175  -1.178
   63   3HD2  LEU  33          3HD2      LEU  33   2.023  -4.418  -1.301
   64    H    ASP  34           H        ASP  34   5.728  -4.589  -3.590
   65    HA   ASP  34           HA       ASP  34   8.423  -4.719  -2.420
   66   1HB   ASP  34          1HB       ASP  34   9.182  -5.868  -4.399
   67   2HB   ASP  34          2HB       ASP  34   7.759  -6.683  -3.771
   68    H    GLY  35           H        GLY  35  10.184  -3.882  -3.974
   69   1HA   GLY  35          1HA       GLY  35   9.950  -1.101  -4.031
   70   2HA   GLY  35          2HA       GLY  35  11.208  -2.020  -4.836
   71    H    ASP  36           H        ASP  36   8.769  -3.330  -6.332
   72    HA   ASP  36           HA       ASP  36   8.864  -1.449  -8.550
   73   1HB   ASP  36          1HB       ASP  36   9.142  -3.883  -8.956
   74   2HB   ASP  36          2HB       ASP  36   7.511  -4.154  -8.350
   75    H    GLY  37           H        GLY  37   6.704  -2.565  -6.087
   76   1HA   GLY  37          1HA       GLY  37   4.921  -1.010  -5.425
   77   2HA   GLY  37          2HA       GLY  37   4.598  -0.772  -7.139
   78    H    ASN  38           H        ASN  38   5.422  -3.943  -6.493
   79    HA   ASN  38           HA       ASN  38   2.771  -4.869  -7.117
   80   1HB   ASN  38          1HB       ASN  38   5.335  -6.320  -6.435
   81   2HB   ASN  38          2HB       ASN  38   3.828  -7.136  -6.846
   82   1HD2  ASN  38          1HD2      ASN  38   6.561  -6.871  -8.088
   83   2HD2  ASN  38          2HD2      ASN  38   6.216  -6.514  -9.752
   84    H    ILE  39           H        ILE  39   1.425  -6.078  -5.839
   85    HA   ILE  39           HA       ILE  39   1.869  -5.896  -2.966
   86    HB   ILE  39           HB       ILE  39  -0.312  -7.167  -4.318
   87   1HG1  ILE  39          1HG1      ILE  39  -0.038  -4.239  -3.653
   88   2HG1  ILE  39          2HG1      ILE  39   0.056  -4.904  -5.281
   89   1HG2  ILE  39          1HG2      ILE  39  -0.107  -7.505  -1.924
   90   2HG2  ILE  39          2HG2      ILE  39  -1.450  -6.416  -2.262
   91   3HG2  ILE  39          3HG2      ILE  39   0.081  -5.770  -1.670
   92   1HD1  ILE  39          1HD1      ILE  39  -2.141  -3.970  -4.801
   93   2HD1  ILE  39          2HD1      ILE  39  -2.324  -5.092  -3.452
   94   3HD1  ILE  39          3HD1      ILE  39  -2.225  -5.704  -5.102
   95    H    LEU  40           H        LEU  40   1.802  -7.776  -1.631
   96    HA   LEU  40           HA       LEU  40   2.243 -10.316  -3.051
   97   1HB   LEU  40          1HB       LEU  40   3.461  -9.361  -0.467
   98   2HB   LEU  40          2HB       LEU  40   3.700 -10.959  -1.157
   99    HG   LEU  40           HG       LEU  40   4.692  -8.324  -2.243
  100   1HD1  LEU  40          1HD1      LEU  40   6.097 -10.842  -1.370
  101   2HD1  LEU  40          2HD1      LEU  40   6.088  -9.292  -0.526
  102   3HD1  LEU  40          3HD1      LEU  40   6.879  -9.439  -2.096
  103   1HD2  LEU  40          1HD2      LEU  40   5.578  -9.579  -4.148
  104   2HD2  LEU  40          2HD2      LEU  40   3.813  -9.630  -4.097
  105   3HD2  LEU  40          3HD2      LEU  40   4.756 -11.028  -3.572
  106    H    GLN  41           H        GLN  41   1.719  -9.367   0.333
  107    HA   GLN  41           HA       GLN  41  -0.662 -11.081   0.325
  108   1HB   GLN  41          1HB       GLN  41  -0.087 -11.622   2.729
  109   2HB   GLN  41          2HB       GLN  41   0.937 -12.352   1.499
  110   1HG   GLN  41          1HG       GLN  41   2.663 -10.716   1.916
  111   2HG   GLN  41          2HG       GLN  41   1.623  -9.875   3.065
  112   1HE2  GLN  41          1HE2      GLN  41   4.269 -11.174   3.381
  113   2HE2  GLN  41          2HE2      GLN  41   4.061 -12.298   4.691
  114    H    TYR  42           H        TYR  42  -2.421 -10.313   1.201
  115    HA   TYR  42           HA       TYR  42  -2.413  -7.610   2.294
  116   1HB   TYR  42          1HB       TYR  42  -4.469  -9.410   1.110
  117   2HB   TYR  42          2HB       TYR  42  -5.013  -8.221   2.270
  118    HD1  TYR  42           HD1      TYR  42  -6.401  -7.539   0.134
  119    HD2  TYR  42           HD2      TYR  42  -2.186  -7.056   0.537
  120    HE1  TYR  42           HE1      TYR  42  -6.408  -5.871  -1.672
  121    HE2  TYR  42           HE2      TYR  42  -2.195  -5.389  -1.258
  122    HH   TYR  42           HH       TYR  42  -5.029  -3.982  -2.454
  123    H    ASN  43           H        ASN  43  -4.415  -7.460   3.922
  124    HA   ASN  43           HA       ASN  43  -3.910  -9.370   6.099
  125   1HB   ASN  43          1HB       ASN  43  -4.171  -7.435   7.640
  126   2HB   ASN  43          2HB       ASN  43  -2.789  -7.250   6.557
  127   1HD2  ASN  43          1HD2      ASN  43  -2.877  -5.717   4.902
  128   2HD2  ASN  43          2HD2      ASN  43  -4.102  -4.460   4.864
  129    H    ALA  44           H        ALA  44  -5.801  -8.380   7.886
  130    HA   ALA  44           HA       ALA  44  -8.168  -9.531   6.733
  131   1HB   ALA  44          1HB       ALA  44  -7.488 -10.028   9.027
  132   2HB   ALA  44          2HB       ALA  44  -9.113  -9.345   8.962
  133   3HB   ALA  44          3HB       ALA  44  -7.752  -8.343   9.469
  134    H    ALA  45           H        ALA  45  -7.056  -6.301   7.403
  135    HA   ALA  45           HA       ALA  45  -9.599  -5.038   7.527
  136   1HB   ALA  45          1HB       ALA  45  -6.915  -3.852   6.841
  137   2HB   ALA  45          2HB       ALA  45  -7.587  -4.019   8.464
  138   3HB   ALA  45          3HB       ALA  45  -8.362  -2.951   7.293
  139    H    GLU  46           H        GLU  46  -7.246  -5.489   4.889
  140    HA   GLU  46           HA       GLU  46  -8.739  -4.042   2.969
  141   1HB   GLU  46          1HB       GLU  46  -6.424  -5.890   2.927
  142   2HB   GLU  46          2HB       GLU  46  -7.325  -5.744   1.426
  143   1HG   GLU  46          1HG       GLU  46  -5.381  -4.216   1.604
  144   2HG   GLU  46          2HG       GLU  46  -6.917  -3.403   1.313
  145    HE2  GLU  46           HE2      GLU  46  -7.409  -1.507   2.744
  146    H    GLY  47           H        GLY  47  -8.771  -7.390   4.012
  147   1HA   GLY  47          1HA       GLY  47 -10.351  -8.475   1.964
  148   2HA   GLY  47          2HA       GLY  47 -10.234  -9.107   3.599
  149    H    ASP  48           H        ASP  48 -11.206  -6.401   4.584
  150    HA   ASP  48           HA       ASP  48 -13.991  -7.011   4.664
  151   1HB   ASP  48          1HB       ASP  48 -12.931  -5.904   6.553
  152   2HB   ASP  48          2HB       ASP  48 -12.460  -4.546   5.535
  153    H    ILE  49           H        ILE  49 -11.975  -5.058   2.667
  154    HA   ILE  49           HA       ILE  49 -14.205  -3.527   1.590
  155    HB   ILE  49           HB       ILE  49 -11.449  -3.529   0.863
  156   1HG1  ILE  49          1HG1      ILE  49 -12.966  -2.053   2.992
  157   2HG1  ILE  49          2HG1      ILE  49 -11.552  -3.080   3.180
  158   1HG2  ILE  49          1HG2      ILE  49 -12.986  -2.551  -0.779
  159   2HG2  ILE  49          2HG2      ILE  49 -12.037  -1.295   0.015
  160   3HG2  ILE  49          3HG2      ILE  49 -13.713  -1.568   0.492
  161   1HD1  ILE  49          1HD1      ILE  49 -11.615  -0.417   1.795
  162   2HD1  ILE  49          2HD1      ILE  49 -10.197  -1.448   1.990
  163   3HD1  ILE  49          3HD1      ILE  49 -10.976  -0.740   3.406
  164    H    THR  50           H        THR  50 -15.135  -5.358   0.787
  165    HA   THR  50           HA       THR  50 -15.040  -7.232  -0.827
  166    HB   THR  50           HB       THR  50 -16.918  -6.154  -0.552
  167    HG1  THR  50           HG1      THR  50 -17.699  -6.859  -2.401
  168   1HG2  THR  50          1HG2      THR  50 -17.527  -4.140  -1.814
  169   2HG2  THR  50          2HG2      THR  50 -15.863  -4.013  -2.388
  170   3HG2  THR  50          3HG2      THR  50 -16.217  -3.845  -0.669
  171    H    GLY  51           H        GLY  51 -13.457  -7.873  -2.005
  172   1HA   GLY  51          1HA       GLY  51 -12.923  -8.117  -4.390
  173   2HA   GLY  51          2HA       GLY  51 -12.867  -6.363  -4.476
  174    H    ARG  52           H        ARG  52 -11.540  -7.258  -1.597
  175    HA   ARG  52           HA       ARG  52  -8.833  -7.298  -2.741
  176   1HB   ARG  52          1HB       ARG  52  -9.975  -5.914  -0.362
  177   2HB   ARG  52          2HB       ARG  52  -8.313  -6.472  -0.275
  178   1HG   ARG  52          1HG       ARG  52  -8.411  -4.155  -0.946
  179   2HG   ARG  52          2HG       ARG  52  -7.760  -5.151  -2.248
  180   1HD   ARG  52          1HD       ARG  52 -10.018  -5.161  -3.286
  181   2HD   ARG  52          2HD       ARG  52 -10.558  -4.044  -2.032
  182    HE   ARG  52           HE       ARG  52  -8.569  -2.646  -2.957
  183   1HH1  ARG  52          1HH1      ARG  52 -10.814  -4.583  -4.816
  184   2HH1  ARG  52          2HH1      ARG  52 -10.703  -3.590  -6.235
  185   1HH2  ARG  52          1HH2      ARG  52  -8.369  -1.370  -4.825
  186   2HH2  ARG  52          2HH2      ARG  52  -9.276  -1.768  -6.252
  187    H    ASP  53           H        ASP  53  -8.552  -9.495  -2.841
  188    HA   ASP  53           HA       ASP  53  -8.923 -11.099  -0.447
  189   1HB   ASP  53          1HB       ASP  53  -7.990 -11.780  -3.235
  190   2HB   ASP  53          2HB       ASP  53  -7.970 -12.943  -1.913
  191    HA   PRO  54           HA       PRO  54  -4.972 -10.652   1.290
  192   1HB   PRO  54          1HB       PRO  54  -4.925 -13.596   1.663
  193   2HB   PRO  54          2HB       PRO  54  -4.773 -12.303   2.857
  194   1HG   PRO  54          1HG       PRO  54  -7.024 -13.712   2.665
  195   2HG   PRO  54          2HG       PRO  54  -7.064 -11.966   2.979
  196   1HD   PRO  54          1HD       PRO  54  -7.573 -13.450   0.428
  197   2HD   PRO  54          2HD       PRO  54  -8.418 -12.039   1.099
  198    H    LYS  55           H        LYS  55  -5.273 -13.268  -1.101
  199    HA   LYS  55           HA       LYS  55  -2.441 -12.812  -1.764
  200   1HB   LYS  55          1HB       LYS  55  -3.785 -15.501  -1.495
  201   2HB   LYS  55          2HB       LYS  55  -2.170 -15.248  -2.138
  202   1HG   LYS  55          1HG       LYS  55  -1.529 -14.240   0.049
  203   2HG   LYS  55          2HG       LYS  55  -3.115 -14.710   0.667
  204   1HD   LYS  55          1HD       LYS  55  -1.445 -16.365   1.277
  205   2HD   LYS  55          2HD       LYS  55  -2.600 -17.058   0.139
  206   1HE   LYS  55          1HE       LYS  55  -1.021 -16.697  -1.688
  207   2HE   LYS  55          2HE       LYS  55   0.127 -15.979  -0.561
  208   1HZ   LYS  55          1HZ       LYS  55   0.688 -18.268  -1.006
  209   2HZ   LYS  55          2HZ       LYS  55  -0.845 -18.782  -0.509
  210   3HZ   LYS  55          3HZ       LYS  55   0.223 -18.097   0.616
  211    H    GLN  56           H        GLN  56  -5.181 -12.148  -3.046
  212    HA   GLN  56           HA       GLN  56  -4.730 -13.459  -5.623
  213   1HB   GLN  56          1HB       GLN  56  -6.995 -11.740  -4.622
  214   2HB   GLN  56          2HB       GLN  56  -6.858 -12.284  -6.290
  215   1HG   GLN  56          1HG       GLN  56  -7.054 -14.065  -3.874
  216   2HG   GLN  56          2HG       GLN  56  -8.364 -13.690  -4.990
  217   1HE2  GLN  56          1HE2      GLN  56  -5.422 -15.462  -4.511
  218   2HE2  GLN  56          2HE2      GLN  56  -5.550 -16.454  -5.924
  219    H    VAL  57           H        VAL  57  -3.328 -11.035  -4.168
  220    HA   VAL  57           HA       VAL  57  -3.206  -9.367  -6.593
  221    HB   VAL  57           HB       VAL  57  -2.385  -7.694  -5.102
  222   1HG1  VAL  57          1HG1      VAL  57  -4.704  -7.026  -4.613
  223   2HG1  VAL  57          2HG1      VAL  57  -5.248  -8.657  -5.007
  224   3HG1  VAL  57          3HG1      VAL  57  -4.535  -7.641  -6.257
  225   1HG2  VAL  57          1HG2      VAL  57  -2.022  -9.077  -3.138
  226   2HG2  VAL  57          2HG2      VAL  57  -3.739  -9.488  -3.098
  227   3HG2  VAL  57          3HG2      VAL  57  -3.223  -7.826  -2.820
  228    H    ILE  58           H        ILE  58  -1.544 -11.686  -5.947
  229    HA   ILE  58           HA       ILE  58   0.972 -10.600  -5.052
  230    HB   ILE  58           HB       ILE  58   0.473 -13.135  -6.302
  231   1HG1  ILE  58          1HG1      ILE  58   0.278 -12.314  -3.405
  232   2HG1  ILE  58          2HG1      ILE  58  -1.058 -12.835  -4.426
  233   1HG2  ILE  58          1HG2      ILE  58   2.469 -13.753  -5.018
  234   2HG2  ILE  58          2HG2      ILE  58   2.608 -12.093  -4.440
  235   3HG2  ILE  58          3HG2      ILE  58   2.814 -12.448  -6.155
  236   1HD1  ILE  58          1HD1      ILE  58  -0.311 -14.604  -2.927
  237   2HD1  ILE  58          2HD1      ILE  58   1.303 -14.526  -3.635
  238   3HD1  ILE  58          3HD1      ILE  58  -0.067 -15.046  -4.617
  239    H    GLY  59           H        GLY  59   2.688  -9.997  -6.263
  240   1HA   GLY  59          1HA       GLY  59   3.855  -9.343  -8.121
  241   2HA   GLY  59          2HA       GLY  59   3.129 -10.713  -8.956
  242    H    LYS  60           H        LYS  60   1.294  -8.195  -7.439
  243    HA   LYS  60           HA       LYS  60   0.503  -7.205 -10.082
  244   1HB   LYS  60          1HB       LYS  60  -1.080  -8.493  -7.998
  245   2HB   LYS  60          2HB       LYS  60  -1.726  -6.918  -8.477
  246   1HG   LYS  60          1HG       LYS  60  -2.084  -7.580 -10.671
  247   2HG   LYS  60          2HG       LYS  60  -0.950  -8.928 -10.552
  248   1HD   LYS  60          1HD       LYS  60  -3.488  -8.820  -8.957
  249   2HD   LYS  60          2HD       LYS  60  -3.431  -9.490 -10.590
  250   1HE   LYS  60          1HE       LYS  60  -1.746 -10.418  -8.265
  251   2HE   LYS  60          2HE       LYS  60  -3.201 -11.223  -8.850
  252   1HZ   LYS  60          1HZ       LYS  60  -2.138 -11.647 -10.942
  253   2HZ   LYS  60          2HZ       LYS  60  -1.131 -12.220  -9.702
  254   3HZ   LYS  60          3HZ       LYS  60  -0.765 -10.765 -10.487
  255    H    ASN  61           H        ASN  61   0.565  -5.083 -10.287
  256    HA   ASN  61           HA       ASN  61   1.868  -3.666  -8.171
  257   1HB   ASN  61          1HB       ASN  61   2.279  -3.407 -10.679
  258   2HB   ASN  61          2HB       ASN  61   0.816  -2.425 -10.703
  259   1HD2  ASN  61          1HD2      ASN  61   4.129  -2.611  -9.757
  260   2HD2  ASN  61          2HD2      ASN  61   4.294  -0.970  -9.234
  261    H    PHE  62           H        PHE  62   0.885  -2.819  -6.529
  262    HA   PHE  62           HA       PHE  62  -1.848  -2.436  -6.209
  263   1HB   PHE  62          1HB       PHE  62  -0.279  -2.588  -4.339
  264   2HB   PHE  62          2HB       PHE  62   0.454  -1.061  -4.808
  265    HD1  PHE  62           HD1      PHE  62  -0.416   0.981  -4.040
  266    HD2  PHE  62           HD2      PHE  62  -2.658  -2.604  -3.541
  267    HE1  PHE  62           HE1      PHE  62  -1.975   2.167  -2.554
  268    HE2  PHE  62           HE2      PHE  62  -4.223  -1.421  -2.058
  269    HZ   PHE  62           HZ       PHE  62  -3.880   0.969  -1.559
  270    H    PHE  63           H        PHE  63   0.651  -0.115  -7.143
  271    HA   PHE  63           HA       PHE  63  -1.160   2.108  -6.933
  272   1HB   PHE  63          1HB       PHE  63   1.657   2.034  -8.022
  273   2HB   PHE  63          2HB       PHE  63   0.767   3.464  -7.506
  274    HD1  PHE  63           HD1      PHE  63   2.458   0.408  -6.368
  275    HD2  PHE  63           HD2      PHE  63   0.578   4.040  -5.202
  276    HE1  PHE  63           HE1      PHE  63   3.343   0.130  -4.091
  277    HE2  PHE  63           HE2      PHE  63   1.462   3.772  -2.922
  278    HZ   PHE  63           HZ       PHE  63   2.850   1.808  -2.364
  279    H    LYS  64           H        LYS  64  -1.064  -0.162  -9.199
  280    HA   LYS  64           HA       LYS  64  -1.782   1.718 -11.317
  281   1HB   LYS  64          1HB       LYS  64   0.213  -0.515 -11.572
  282   2HB   LYS  64          2HB       LYS  64  -0.599   0.192 -12.966
  283   1HG   LYS  64          1HG       LYS  64   0.288   2.412 -12.284
  284   2HG   LYS  64          2HG       LYS  64   1.200   1.603 -11.007
  285   1HD   LYS  64          1HD       LYS  64   1.443   0.852 -13.901
  286   2HD   LYS  64          2HD       LYS  64   2.440   2.104 -13.159
  287   1HE   LYS  64          1HE       LYS  64   3.248   0.458 -11.523
  288   2HE   LYS  64          2HE       LYS  64   2.274  -0.783 -12.305
  289   1HZ   LYS  64          1HZ       LYS  64   3.564  -0.418 -14.339
  290   2HZ   LYS  64          2HZ       LYS  64   4.539  -0.928 -13.052
  291   3HZ   LYS  64          3HZ       LYS  64   4.541   0.703 -13.522
  292    H    ASP  65           H        ASP  65  -1.712  -1.755 -10.452
  293    HA   ASP  65           HA       ASP  65  -3.978  -2.152 -12.266
  294   1HB   ASP  65          1HB       ASP  65  -2.037  -3.656 -12.477
  295   2HB   ASP  65          2HB       ASP  65  -2.281  -4.196 -10.819
  296    H    VAL  66           H        VAL  66  -3.280  -2.103  -8.840
  297    HA   VAL  66           HA       VAL  66  -6.027  -3.092  -8.381
  298    HB   VAL  66           HB       VAL  66  -4.061  -2.902  -6.326
  299   1HG1  VAL  66          1HG1      VAL  66  -6.395  -4.722  -6.914
  300   2HG1  VAL  66          2HG1      VAL  66  -6.383  -3.391  -5.758
  301   3HG1  VAL  66          3HG1      VAL  66  -5.361  -4.802  -5.487
  302   1HG2  VAL  66          1HG2      VAL  66  -3.363  -5.185  -6.832
  303   2HG2  VAL  66          2HG2      VAL  66  -2.894  -4.059  -8.104
  304   3HG2  VAL  66          3HG2      VAL  66  -4.277  -5.128  -8.340
  305    H    ALA  67           H        ALA  67  -4.733  -0.307  -8.821
  306    HA   ALA  67           HA       ALA  67  -6.548   1.255  -7.418
  307   1HB   ALA  67          1HB       ALA  67  -3.849   1.249  -6.057
  308   2HB   ALA  67          2HB       ALA  67  -5.326   0.552  -5.392
  309   3HB   ALA  67          3HB       ALA  67  -5.219   2.292  -5.667
  310    HA   PRO  68           HA       PRO  68  -4.175   3.337 -10.749
  311   1HB   PRO  68          1HB       PRO  68  -6.320   4.406 -12.001
  312   2HB   PRO  68          2HB       PRO  68  -5.781   2.743 -12.270
  313   1HG   PRO  68          1HG       PRO  68  -8.006   3.760 -10.549
  314   2HG   PRO  68          2HG       PRO  68  -7.969   2.341 -11.611
  315   1HD   PRO  68          1HD       PRO  68  -7.643   2.199  -8.909
  316   2HD   PRO  68          2HD       PRO  68  -6.922   1.036 -10.040
  317    H    CYS  69           H        CYS  69  -6.040   4.471  -8.130
  318    HA   CYS  69           HA       CYS  69  -5.816   7.265  -8.841
  319   1HB   CYS  69          1HB       CYS  69  -6.846   7.791  -6.775
  320   2HB   CYS  69          2HB       CYS  69  -7.616   6.300  -7.297
  321    H    THR  70           H        THR  70  -3.815   4.900  -7.655
  322    HA   THR  70           HA       THR  70  -2.490   6.566  -5.739
  323    HB   THR  70           HB       THR  70  -1.704   3.911  -6.355
  324    HG1  THR  70           HG1      THR  70  -4.106   4.628  -4.993
  325   1HG2  THR  70          1HG2      THR  70  -2.264   5.491  -3.851
  326   2HG2  THR  70          2HG2      THR  70  -0.670   5.130  -4.514
  327   3HG2  THR  70          3HG2      THR  70  -1.690   3.824  -3.909
  328    H    ASP  71           H        ASP  71  -1.943   5.911  -8.956
  329    HA   ASP  71           HA       ASP  71   0.944   5.909  -8.872
  330   1HB   ASP  71          1HB       ASP  71  -0.192   4.856 -10.771
  331   2HB   ASP  71          2HB       ASP  71  -0.950   6.393 -11.179
  332    H    SER  72           H        SER  72   1.670   7.693  -7.832
  333    HA   SER  72           HA       SER  72   1.699  10.188  -9.212
  334   1HB   SER  72          1HB       SER  72   0.166  10.072  -6.591
  335   2HB   SER  72          2HB       SER  72   0.645  11.553  -7.416
  336    HG   SER  72           HG       SER  72  -0.701   9.877  -9.075
  337    HA   PRO  73           HA       PRO  73   5.451  10.462  -6.843
  338   1HB   PRO  73          1HB       PRO  73   5.661  13.168  -6.469
  339   2HB   PRO  73          2HB       PRO  73   6.066  12.348  -7.980
  340   1HG   PRO  73          1HG       PRO  73   3.571  13.815  -7.233
  341   2HG   PRO  73          2HG       PRO  73   4.469  13.834  -8.762
  342   1HD   PRO  73          1HD       PRO  73   2.216  12.392  -8.446
  343   2HD   PRO  73          2HD       PRO  73   3.556  11.829  -9.467
  344    H    GLU  74           H        GLU  74   2.510  11.859  -5.664
  345    HA   GLU  74           HA       GLU  74   3.532  12.185  -2.961
  346   1HB   GLU  74          1HB       GLU  74   1.232  13.031  -2.501
  347   2HB   GLU  74          2HB       GLU  74   2.076  13.916  -3.766
  348   1HG   GLU  74          1HG       GLU  74   0.732  11.923  -5.129
  349   2HG   GLU  74          2HG       GLU  74  -0.402  12.427  -3.879
  350    H    PHE  75           H        PHE  75   1.955   9.796  -4.821
  351    HA   PHE  75           HA       PHE  75   1.149   8.357  -2.383
  352   1HB   PHE  75          1HB       PHE  75   0.411   7.867  -5.273
  353   2HB   PHE  75          2HB       PHE  75  -0.034   6.805  -3.951
  354    HD1  PHE  75           HD1      PHE  75  -0.957   9.621  -5.903
  355    HD2  PHE  75           HD2      PHE  75  -1.477   7.795  -2.097
  356    HE1  PHE  75           HE1      PHE  75  -2.988  10.963  -5.541
  357    HE2  PHE  75           HE2      PHE  75  -3.519   9.116  -1.734
  358    HZ   PHE  75           HZ       PHE  75  -4.373  10.580  -3.585
  359    H    TYR  76           H        TYR  76   2.039   7.131  -5.553
  360    HA   TYR  76           HA       TYR  76   3.582   4.997  -4.580
  361   1HB   TYR  76          1HB       TYR  76   2.513   4.962  -6.781
  362   2HB   TYR  76          2HB       TYR  76   3.538   6.286  -7.320
  363    HD1  TYR  76           HD1      TYR  76   5.158   5.641  -8.799
  364    HD2  TYR  76           HD2      TYR  76   4.100   2.968  -5.666
  365    HE1  TYR  76           HE1      TYR  76   6.822   4.030  -9.620
  366    HE2  TYR  76           HE2      TYR  76   5.760   1.346  -6.479
  367    HH   TYR  76           HH       TYR  76   6.951   0.803  -8.552
  368    H    GLY  77           H        GLY  77   4.418   8.232  -5.688
  369   1HA   GLY  77          1HA       GLY  77   7.215   7.932  -5.752
  370   2HA   GLY  77          2HA       GLY  77   6.356   9.449  -5.533
  371    H    LYS  78           H        LYS  78   5.014   8.426  -3.090
  372    HA   LYS  78           HA       LYS  78   7.104   9.057  -1.217
  373   1HB   LYS  78          1HB       LYS  78   4.162   8.503  -0.933
  374   2HB   LYS  78          2HB       LYS  78   5.210   8.667   0.472
  375   1HG   LYS  78          1HG       LYS  78   4.866  10.749  -1.676
  376   2HG   LYS  78          2HG       LYS  78   4.059  10.761  -0.105
  377   1HD   LYS  78          1HD       LYS  78   6.131  10.995   1.045
  378   2HD   LYS  78          2HD       LYS  78   7.052  10.688  -0.429
  379   1HE   LYS  78          1HE       LYS  78   6.258  12.769  -1.388
  380   2HE   LYS  78          2HE       LYS  78   5.253  13.064   0.032
  381   1HZ   LYS  78          1HZ       LYS  78   8.194  12.752   0.201
  382   2HZ   LYS  78          2HZ       LYS  78   7.142  13.367   1.375
  383   3HZ   LYS  78          3HZ       LYS  78   7.451  14.259  -0.032
  384    H    PHE  79           H        PHE  79   5.358   6.202  -2.264
  385    HA   PHE  79           HA       PHE  79   6.514   4.431  -0.363
  386   1HB   PHE  79          1HB       PHE  79   4.569   3.757  -1.687
  387   2HB   PHE  79          2HB       PHE  79   5.501   3.904  -3.173
  388    HD1  PHE  79           HD1      PHE  79   4.866   1.853  -0.200
  389    HD2  PHE  79           HD2      PHE  79   7.152   2.251  -3.775
  390    HE1  PHE  79           HE1      PHE  79   5.580  -0.484  -0.006
  391    HE2  PHE  79           HE2      PHE  79   7.856  -0.092  -3.583
  392    HZ   PHE  79           HZ       PHE  79   7.074  -1.458  -1.697
  393    H    LYS  80           H        LYS  80   7.503   5.751  -3.450
  394    HA   LYS  80           HA       LYS  80   9.905   4.156  -3.592
  395   1HB   LYS  80          1HB       LYS  80   9.078   6.544  -5.256
  396   2HB   LYS  80          2HB       LYS  80  10.402   5.445  -5.614
  397   1HG   LYS  80          1HG       LYS  80   7.475   4.730  -5.539
  398   2HG   LYS  80          2HG       LYS  80   8.459   4.956  -6.986
  399   1HD   LYS  80          1HD       LYS  80   9.093   2.906  -4.871
  400   2HD   LYS  80          2HD       LYS  80   8.072   2.561  -6.269
  401   1HE   LYS  80          1HE       LYS  80  10.905   3.583  -6.431
  402   2HE   LYS  80          2HE       LYS  80  10.454   1.884  -6.544
  403   1HZ   LYS  80          1HZ       LYS  80   9.102   2.430  -8.498
  404   2HZ   LYS  80          2HZ       LYS  80  10.735   2.820  -8.728
  405   3HZ   LYS  80          3HZ       LYS  80   9.615   4.046  -8.405
  406    H    GLU  81           H        GLU  81   9.062   6.727  -1.736
  407    HA   GLU  81           HA       GLU  81  11.041   8.641  -2.031
  408   1HB   GLU  81          1HB       GLU  81   9.065   8.920  -0.605
  409   2HB   GLU  81          2HB       GLU  81   9.707   7.738   0.527
  410   1HG   GLU  81          1HG       GLU  81  11.455   9.178   1.188
  411   2HG   GLU  81          2HG       GLU  81  11.151  10.278  -0.156
  412    H    GLY  82           H        GLY  82  11.116   5.738   0.036
  413   1HA   GLY  82          1HA       GLY  82  13.892   6.246   0.718
  414   2HA   GLY  82          2HA       GLY  82  12.924   4.874   1.243
  415    H    VAL  83           H        VAL  83  12.061   3.897  -1.117
  416    HA   VAL  83           HA       VAL  83  13.890   2.165  -2.113
  417    HB   VAL  83           HB       VAL  83  12.002   3.578  -3.748
  418   1HG1  VAL  83          1HG1      VAL  83  11.888   1.393  -4.869
  419   2HG1  VAL  83          2HG1      VAL  83  13.167   0.796  -3.811
  420   3HG1  VAL  83          3HG1      VAL  83  13.504   2.098  -4.953
  421   1HG2  VAL  83          1HG2      VAL  83  11.580   1.332  -1.798
  422   2HG2  VAL  83          2HG2      VAL  83  10.409   1.875  -2.999
  423   3HG2  VAL  83          3HG2      VAL  83  10.904   2.957  -1.699
  424    H    ALA  84           H        ALA  84  13.234   5.405  -3.467
  425    HA   ALA  84           HA       ALA  84  14.809   5.375  -5.714
  426   1HB   ALA  84          1HB       ALA  84  13.298   7.208  -5.095
  427   2HB   ALA  84          2HB       ALA  84  14.897   7.789  -5.564
  428   3HB   ALA  84          3HB       ALA  84  14.447   7.722  -3.859
  429    H    SER  85           H        SER  85  15.853   6.163  -2.418
  430    HA   SER  85           HA       SER  85  18.610   6.430  -3.177
  431   1HB   SER  85          1HB       SER  85  17.354   6.041  -0.443
  432   2HB   SER  85          2HB       SER  85  19.015   6.546  -0.748
  433    HG   SER  85           HG       SER  85  17.982   8.337  -1.984
  434    H    GLY  86           H        GLY  86  16.917   4.120  -1.087
  435   1HA   GLY  86          1HA       GLY  86  17.911   1.844  -2.487
  436   2HA   GLY  86          2HA       GLY  86  18.769   2.085  -0.966
  437    H    ASN  87           H        ASN  87  17.035   2.900   0.741
  438    HA   ASN  87           HA       ASN  87  14.497   1.644   0.739
  439   1HB   ASN  87          1HB       ASN  87  15.082   0.137   2.747
  440   2HB   ASN  87          2HB       ASN  87  15.511  -0.434   1.143
  441   1HD2  ASN  87          1HD2      ASN  87  17.326   2.032   2.915
  442   2HD2  ASN  87          2HD2      ASN  87  18.746   1.060   3.131
  443    H    LEU  88           H        LEU  88  13.221   2.598   2.282
  444    HA   LEU  88           HA       LEU  88  14.292   3.651   4.678
  445   1HB   LEU  88          1HB       LEU  88  15.099   5.413   3.226
  446   2HB   LEU  88          2HB       LEU  88  13.492   5.637   2.566
  447    HG   LEU  88           HG       LEU  88  12.718   6.375   4.816
  448   1HD1  LEU  88          1HD1      LEU  88  15.657   6.272   5.485
  449   2HD1  LEU  88          2HD1      LEU  88  14.394   5.251   6.173
  450   3HD1  LEU  88          3HD1      LEU  88  14.394   6.985   6.489
  451   1HD2  LEU  88          1HD2      LEU  88  13.340   7.991   3.097
  452   2HD2  LEU  88          2HD2      LEU  88  15.017   7.935   3.640
  453   3HD2  LEU  88          3HD2      LEU  88  13.767   8.579   4.703
  454    H    ASN  89           H        ASN  89  12.767   3.434   6.145
  455    HA   ASN  89           HA       ASN  89  10.017   3.134   5.470
  456   1HB   ASN  89          1HB       ASN  89   9.692   3.357   8.005
  457   2HB   ASN  89          2HB       ASN  89  10.615   1.985   7.418
  458   1HD2  ASN  89          1HD2      ASN  89  11.840   5.286   7.706
  459   2HD2  ASN  89          2HD2      ASN  89  12.986   4.926   8.957
  460    H    THR  90           H        THR  90   8.434   4.518   5.351
  461    HA   THR  90           HA       THR  90   8.819   7.217   6.354
  462    HB   THR  90           HB       THR  90   9.572   7.087   4.162
  463    HG1  THR  90           HG1      THR  90   8.640   9.011   3.720
  464   1HG2  THR  90          1HG2      THR  90   7.925   6.932   2.367
  465   2HG2  THR  90          2HG2      THR  90   6.696   6.468   3.544
  466   3HG2  THR  90          3HG2      THR  90   8.081   5.416   3.254
  467    H    MET  91           H        MET  91   6.865   8.387   6.542
  468    HA   MET  91           HA       MET  91   4.419   6.769   6.343
  469   1HB   MET  91          1HB       MET  91   5.175   6.821   8.689
  470   2HB   MET  91          2HB       MET  91   5.153   8.580   8.651
  471   1HG   MET  91          1HG       MET  91   2.765   8.584   8.326
  472   2HG   MET  91          2HG       MET  91   2.745   6.825   8.221
  473   1HE   MET  91          1HE       MET  91   3.272   9.940  10.517
  474   2HE   MET  91          2HE       MET  91   4.818   9.111  10.704
  475   3HE   MET  91          3HE       MET  91   3.698   9.203  12.062
  476    H    PHE  92           H        PHE  92   3.014   7.700   5.060
  477    HA   PHE  92           HA       PHE  92   2.809  10.645   5.044
  478   1HB   PHE  92          1HB       PHE  92   3.999   9.561   3.010
  479   2HB   PHE  92          2HB       PHE  92   2.402   8.959   2.583
  480    HD1  PHE  92           HD1      PHE  92   1.051  10.221   1.230
  481    HD2  PHE  92           HD2      PHE  92   4.151  12.143   3.427
  482    HE1  PHE  92           HE1      PHE  92   0.526  12.344   0.106
  483    HE2  PHE  92           HE2      PHE  92   3.625  14.266   2.308
  484    HZ   PHE  92           HZ       PHE  92   1.895  14.364   0.599
  485    H    GLU  93           H        GLU  93   0.645  11.409   4.478
  486    HA   GLU  93           HA       GLU  93  -1.393   9.328   4.798
  487   1HB   GLU  93          1HB       GLU  93  -2.745  11.222   5.973
  488   2HB   GLU  93          2HB       GLU  93  -1.555  10.299   6.875
  489   1HG   GLU  93          1HG       GLU  93  -1.159  12.471   7.541
  490   2HG   GLU  93          2HG       GLU  93   0.062  12.212   6.299
  491    H    TYR  94           H        TYR  94  -3.171   9.421   3.536
  492    HA   TYR  94           HA       TYR  94  -3.771  11.674   1.891
  493   1HB   TYR  94          1HB       TYR  94  -1.703  10.147   0.919
  494   2HB   TYR  94          2HB       TYR  94  -3.095   9.444   0.106
  495    HD1  TYR  94           HD1      TYR  94  -4.811  11.812  -0.299
  496    HD2  TYR  94           HD2      TYR  94  -0.606  11.371  -0.720
  497    HE1  TYR  94           HE1      TYR  94  -4.787  13.668  -1.907
  498    HE2  TYR  94           HE2      TYR  94  -0.568  13.230  -2.327
  499    HH   TYR  94           HH       TYR  94  -1.998  14.426  -3.802
  500    H    THR  95           H        THR  95  -5.424  10.985   0.165
  501    HA   THR  95           HA       THR  95  -7.364   9.328   1.602
  502    HB   THR  95           HB       THR  95  -7.693  11.258  -0.506
  503    HG1  THR  95           HG1      THR  95  -6.736  12.000   1.555
  504   1HG2  THR  95          1HG2      THR  95  -9.995  11.302   0.284
  505   2HG2  THR  95          2HG2      THR  95  -9.632  10.018   1.437
  506   3HG2  THR  95          3HG2      THR  95  -9.556   9.696  -0.295
  507    H    PHE  96           H        PHE  96  -8.448   7.676   0.613
  508    HA   PHE  96           HA       PHE  96  -7.668   6.953  -2.147
  509   1HB   PHE  96          1HB       PHE  96  -8.696   5.291   0.156
  510   2HB   PHE  96          2HB       PHE  96  -8.646   4.698  -1.502
  511    HD1  PHE  96           HD1      PHE  96  -6.104   5.726  -2.480
  512    HD2  PHE  96           HD2      PHE  96  -7.100   4.105   1.324
  513    HE1  PHE  96           HE1      PHE  96  -3.760   5.051  -2.156
  514    HE2  PHE  96           HE2      PHE  96  -4.758   3.428   1.656
  515    HZ   PHE  96           HZ       PHE  96  -3.086   3.884  -0.117
  516    H    ASP  97           H        ASP  97  -9.126   7.554  -3.606
  517    HA   ASP  97           HA       ASP  97 -11.928   7.832  -2.731
  518   1HB   ASP  97          1HB       ASP  97 -12.082   9.731  -4.304
  519   2HB   ASP  97          2HB       ASP  97 -10.892  10.001  -3.037
  520    H    TYR  98           H        TYR  98 -10.293   5.720  -4.362
  521    HA   TYR  98           HA       TYR  98 -12.291   5.518  -6.516
  522   1HB   TYR  98          1HB       TYR  98 -10.034   5.899  -7.413
  523   2HB   TYR  98          2HB       TYR  98  -9.440   4.498  -6.530
  524    HD1  TYR  98           HD1      TYR  98  -9.432   2.402  -7.565
  525    HD2  TYR  98           HD2      TYR  98 -11.902   5.480  -9.146
  526    HE1  TYR  98           HE1      TYR  98 -10.001   0.957  -9.472
  527    HE2  TYR  98           HE2      TYR  98 -12.474   4.049 -11.058
  528    HH   TYR  98           HH       TYR  98 -11.772   2.173 -12.226
  529    H    GLN  99           H        GLN  99 -13.501   3.740  -6.564
  530    HA   GLN  99           HA       GLN  99 -14.395   1.707  -6.059
  531   1HB   GLN  99          1HB       GLN  99 -11.759   1.111  -4.698
  532   2HB   GLN  99          2HB       GLN  99 -13.064  -0.049  -4.915
  533   1HG   GLN  99          1HG       GLN  99 -11.359   1.240  -7.022
  534   2HG   GLN  99          2HG       GLN  99 -11.482  -0.472  -6.612
  535   1HE2  GLN  99          1HE2      GLN  99 -12.988   2.214  -8.194
  536   2HE2  GLN  99          2HE2      GLN  99 -14.181   1.312  -9.054
  537    H    MET 100           H        MET 100 -12.576   3.155  -3.446
  538    HA   MET 100           HA       MET 100 -14.894   2.817  -1.673
  539   1HB   MET 100          1HB       MET 100 -12.716   2.012  -0.799
  540   2HB   MET 100          2HB       MET 100 -12.058   3.632  -1.003
  541   1HG   MET 100          1HG       MET 100 -12.654   3.199   1.312
  542   2HG   MET 100          2HG       MET 100 -13.631   4.499   0.630
  543   1HE   MET 100          1HE       MET 100 -15.368   4.315   2.622
  544   2HE   MET 100          2HE       MET 100 -14.379   3.043   3.340
  545   3HE   MET 100          3HE       MET 100 -16.113   2.799   3.129
  546    H    THR 101           H        THR 101 -15.968   4.639  -0.902
  547    HA   THR 101           HA       THR 101 -15.605   7.069  -2.279
  548    HB   THR 101           HB       THR 101 -17.534   6.277  -1.147
  549    HG1  THR 101           HG1      THR 101 -17.404   8.784  -0.212
  550   1HG2  THR 101          1HG2      THR 101 -17.826   6.963   1.174
  551   2HG2  THR 101          2HG2      THR 101 -16.122   7.406   1.263
  552   3HG2  THR 101          3HG2      THR 101 -16.584   5.721   1.023
  553    HA   PRO 102           HA       PRO 102 -11.952   8.912  -0.866
  554   1HB   PRO 102          1HB       PRO 102 -13.732  11.133   0.071
  555   2HB   PRO 102          2HB       PRO 102 -12.191  11.219  -0.794
  556   1HG   PRO 102          1HG       PRO 102 -14.521  11.473  -2.083
  557   2HG   PRO 102          2HG       PRO 102 -13.137  10.643  -2.816
  558   1HD   PRO 102          1HD       PRO 102 -15.674   9.527  -1.820
  559   2HD   PRO 102          2HD       PRO 102 -14.505   8.834  -2.960
  560    H    THR 103           H        THR 103 -11.625   7.369   0.835
  561    HA   THR 103           HA       THR 103 -12.102   8.542   3.490
  562    HB   THR 103           HB       THR 103 -12.885   6.412   3.098
  563    HG1  THR 103           HG1      THR 103 -12.423   6.039   5.142
  564   1HG2  THR 103          1HG2      THR 103  -9.974   5.692   2.821
  565   2HG2  THR 103          2HG2      THR 103 -11.216   5.537   1.578
  566   3HG2  THR 103          3HG2      THR 103 -11.299   4.547   3.035
  567    H    LYS 104           H        LYS 104 -10.330   8.699   4.975
  568    HA   LYS 104           HA       LYS 104  -7.833   9.122   3.486
  569   1HB   LYS 104          1HB       LYS 104  -8.865  11.161   4.375
  570   2HB   LYS 104          2HB       LYS 104  -8.808  10.486   5.999
  571   1HG   LYS 104          1HG       LYS 104  -6.394  10.469   5.942
  572   2HG   LYS 104          2HG       LYS 104  -6.407  11.053   4.276
  573   1HD   LYS 104          1HD       LYS 104  -7.479  13.120   4.998
  574   2HD   LYS 104          2HD       LYS 104  -7.508  12.532   6.663
  575   1HE   LYS 104          1HE       LYS 104  -5.073  12.438   6.677
  576   2HE   LYS 104          2HE       LYS 104  -5.033  13.001   5.009
  577   1HZ   LYS 104          1HZ       LYS 104  -6.050  15.072   5.713
  578   2HZ   LYS 104          2HZ       LYS 104  -4.611  14.791   6.562
  579   3HZ   LYS 104          3HZ       LYS 104  -6.101  14.528   7.321
  580    H    VAL 105           H        VAL 105  -6.121   7.985   3.970
  581    HA   VAL 105           HA       VAL 105  -6.053   6.591   6.560
  582    HB   VAL 105           HB       VAL 105  -4.805   4.957   5.544
  583   1HG1  VAL 105          1HG1      VAL 105  -7.195   4.712   5.948
  584   2HG1  VAL 105          2HG1      VAL 105  -6.727   3.901   4.454
  585   3HG1  VAL 105          3HG1      VAL 105  -7.547   5.462   4.392
  586   1HG2  VAL 105          1HG2      VAL 105  -4.870   4.760   3.097
  587   2HG2  VAL 105          2HG2      VAL 105  -3.903   6.126   3.654
  588   3HG2  VAL 105          3HG2      VAL 105  -5.521   6.399   3.007
  589    H    LYS 106           H        LYS 106  -3.849   5.930   7.211
  590    HA   LYS 106           HA       LYS 106  -1.808   7.835   6.282
  591   1HB   LYS 106          1HB       LYS 106  -2.656   8.154   8.665
  592   2HB   LYS 106          2HB       LYS 106  -1.928   6.596   9.036
  593   1HG   LYS 106          1HG       LYS 106   0.259   7.422   8.537
  594   2HG   LYS 106          2HG       LYS 106  -0.404   8.938   7.922
  595   1HD   LYS 106          1HD       LYS 106   0.425   9.353  10.125
  596   2HD   LYS 106          2HD       LYS 106  -1.337   9.360  10.205
  597   1HE   LYS 106          1HE       LYS 106  -1.262   7.006  10.982
  598   2HE   LYS 106          2HE       LYS 106   0.499   7.105  11.006
  599   1HZ   LYS 106          1HZ       LYS 106   0.174   9.053  12.561
  600   2HZ   LYS 106          2HZ       LYS 106  -0.186   7.525  13.188
  601   3HZ   LYS 106          3HZ       LYS 106  -1.438   8.559  12.709
  602    H    VAL 107           H        VAL 107  -0.088   6.908   5.390
  603    HA   VAL 107           HA       VAL 107  -0.022   3.981   5.389
  604    HB   VAL 107           HB       VAL 107   0.986   5.970   3.572
  605   1HG1  VAL 107          1HG1      VAL 107   0.892   2.960   3.434
  606   2HG1  VAL 107          2HG1      VAL 107   2.343   3.958   3.536
  607   3HG1  VAL 107          3HG1      VAL 107   1.322   4.028   2.100
  608   1HG2  VAL 107          1HG2      VAL 107  -1.399   4.148   3.425
  609   2HG2  VAL 107          2HG2      VAL 107  -0.817   5.208   2.140
  610   3HG2  VAL 107          3HG2      VAL 107  -1.437   5.898   3.640
  611    H    HIS 108           H        HIS 108   1.406   3.411   6.916
  612    HA   HIS 108           HA       HIS 108   4.019   4.770   6.961
  613   1HB   HIS 108          1HB       HIS 108   2.631   4.552   9.095
  614   2HB   HIS 108          2HB       HIS 108   2.926   2.823   9.005
  615    HD1  HIS 108           HD1      HIS 108   3.862   4.278  11.449
  616    HD2  HIS 108           HD2      HIS 108   6.239   3.835   8.066
  617    HE1  HIS 108           HE1      HIS 108   6.232   4.512  12.254
  618    HE2  HIS 108           HE2      HIS 108   7.629   4.491  10.152
  619    H    MET 109           H        MET 109   5.224   3.779   5.442
  620    HA   MET 109           HA       MET 109   5.174   0.835   5.387
  621   1HB   MET 109          1HB       MET 109   5.852   0.883   3.134
  622   2HB   MET 109          2HB       MET 109   4.654   2.157   3.282
  623   1HG   MET 109          1HG       MET 109   6.217   3.210   2.023
  624   2HG   MET 109          2HG       MET 109   6.764   3.668   3.635
  625   1HE   MET 109          1HE       MET 109   9.057   4.309   2.239
  626   2HE   MET 109          2HE       MET 109   8.405   3.598   0.764
  627   3HE   MET 109          3HE       MET 109   9.994   3.108   1.350
  628    H    LYS 110           H        LYS 110   7.161  -0.354   5.256
  629    HA   LYS 110           HA       LYS 110   9.579   1.038   6.138
  630   1HB   LYS 110          1HB       LYS 110   8.260  -1.146   7.780
  631   2HB   LYS 110          2HB       LYS 110   9.855  -0.475   8.083
  632   1HG   LYS 110          1HG       LYS 110   8.882   1.682   8.593
  633   2HG   LYS 110          2HG       LYS 110   7.276   1.069   8.204
  634   1HD   LYS 110          1HD       LYS 110   7.444   1.027  10.562
  635   2HD   LYS 110          2HD       LYS 110   7.621  -0.641  10.028
  636   1HE   LYS 110          1HE       LYS 110   9.974   1.142  10.605
  637   2HE   LYS 110          2HE       LYS 110   9.208   0.153  11.842
  638   1HZ   LYS 110          1HZ       LYS 110  10.656  -0.753   9.426
  639   2HZ   LYS 110          2HZ       LYS 110   9.647  -1.787  10.308
  640   3HZ   LYS 110          3HZ       LYS 110  11.005  -1.092  11.047
  641    H    LYS 111           H        LYS 111  11.464  -0.236   5.765
  642    HA   LYS 111           HA       LYS 111  10.990  -2.315   3.800
  643   1HB   LYS 111          1HB       LYS 111  12.668  -0.553   3.361
  644   2HB   LYS 111          2HB       LYS 111  13.604  -1.123   4.735
  645   1HG   LYS 111          1HG       LYS 111  12.926  -3.069   2.592
  646   2HG   LYS 111          2HG       LYS 111  14.171  -1.869   2.269
  647   1HD   LYS 111          1HD       LYS 111  14.145  -3.816   4.576
  648   2HD   LYS 111          2HD       LYS 111  15.128  -3.959   3.120
  649   1HE   LYS 111          1HE       LYS 111  16.253  -1.853   3.686
  650   2HE   LYS 111          2HE       LYS 111  15.278  -1.735   5.150
  651   1HZ   LYS 111          1HZ       LYS 111  17.095  -4.008   4.569
  652   2HZ   LYS 111          2HZ       LYS 111  16.310  -3.672   6.033
  653   3HZ   LYS 111          3HZ       LYS 111  17.549  -2.652   5.482
  654    H    ALA 112           H        ALA 112  11.342  -4.397   4.034
  655    HA   ALA 112           HA       ALA 112  12.998  -5.365   6.236
  656   1HB   ALA 112          1HB       ALA 112  10.273  -6.492   5.573
  657   2HB   ALA 112          2HB       ALA 112  10.676  -5.569   7.020
  658   3HB   ALA 112          3HB       ALA 112  11.408  -7.153   6.751
  659    H    LEU 113           H        LEU 113  13.080  -7.991   5.734
  660    HA   LEU 113           HA       LEU 113  13.929  -8.055   2.944
  661   1HB   LEU 113          1HB       LEU 113  15.441  -8.854   4.774
  662   2HB   LEU 113          2HB       LEU 113  14.334 -10.178   5.056
  663    HG   LEU 113           HG       LEU 113  14.758 -11.039   2.807
  664   1HD1  LEU 113          1HD1      LEU 113  15.159  -8.909   1.679
  665   2HD1  LEU 113          2HD1      LEU 113  16.489 -10.035   1.402
  666   3HD1  LEU 113          3HD1      LEU 113  16.674  -8.720   2.563
  667   1HD2  LEU 113          1HD2      LEU 113  17.276 -10.431   4.352
  668   2HD2  LEU 113          2HD2      LEU 113  17.098 -11.687   3.126
  669   3HD2  LEU 113          3HD2      LEU 113  16.185 -11.789   4.632
  670    H    SER 114           H        SER 114  12.801 -10.969   4.543
  671    HA   SER 114           HA       SER 114  11.190 -12.466   3.962
  672   1HB   SER 114          1HB       SER 114   8.874 -11.461   4.136
  673   2HB   SER 114          2HB       SER 114   9.952 -11.116   5.487
  674    HG   SER 114           HG       SER 114  10.166  -9.239   3.538
  675    H    GLY 115           H        GLY 115  12.536 -11.679   1.604
  676   1HA   GLY 115          1HA       GLY 115  11.985 -12.462  -0.592
  677   2HA   GLY 115          2HA       GLY 115  10.329 -11.947  -0.329
  678    H    ASP 116           H        ASP 116  12.655  -9.724   0.724
  679    HA   ASP 116           HA       ASP 116  13.421  -7.717  -0.007
  680   1HB   ASP 116          1HB       ASP 116  14.359  -9.183  -1.872
  681   2HB   ASP 116          2HB       ASP 116  12.977  -8.678  -2.838
  682    H    SER 117           H        SER 117  11.674  -6.566   0.816
  683    HA   SER 117           HA       SER 117  10.072  -5.128  -0.970
  684   1HB   SER 117          1HB       SER 117   7.837  -6.117  -0.051
  685   2HB   SER 117          2HB       SER 117   8.661  -6.963  -1.369
  686    HG   SER 117           HG       SER 117   9.714  -8.163   0.464
  687    H    TYR 118           H        TYR 118   8.018  -4.232   0.489
  688    HA   TYR 118           HA       TYR 118   9.222  -3.370   3.014
  689   1HB   TYR 118          1HB       TYR 118   7.435  -1.729   1.198
  690   2HB   TYR 118          2HB       TYR 118   8.253  -1.175   2.658
  691    HD1  TYR 118           HD1      TYR 118   8.704  -2.167  -0.841
  692    HD2  TYR 118           HD2      TYR 118  10.561  -0.570   2.623
  693    HE1  TYR 118           HE1      TYR 118  10.660  -1.524  -2.201
  694    HE2  TYR 118           HE2      TYR 118  12.522   0.089   1.284
  695    HH   TYR 118           HH       TYR 118  13.605  -0.721  -0.900
  696    H    TRP 119           H        TRP 119   7.829  -3.121   4.707
  697    HA   TRP 119           HA       TRP 119   5.217  -4.393   4.364
  698   1HB   TRP 119          1HB       TRP 119   7.054  -4.036   6.728
  699   2HB   TRP 119          2HB       TRP 119   5.350  -4.458   6.940
  700    HD1  TRP 119           HD1      TRP 119   8.601  -5.883   5.438
  701    HE1  TRP 119           HE1      TRP 119   8.353  -8.443   5.232
  702    HE3  TRP 119           HE3      TRP 119   3.694  -6.321   6.798
  703    HZ2  TRP 119           HZ2      TRP 119   6.336 -10.380   5.608
  704    HZ3  TRP 119           HZ3      TRP 119   2.682  -8.565   6.847
  705    HH2  TRP 119           HH2      TRP 119   3.977 -10.546   6.264
  706    H    VAL 120           H        VAL 120   3.816  -2.914   3.842
  707    HA   VAL 120           HA       VAL 120   3.980  -0.286   5.115
  708    HB   VAL 120           HB       VAL 120   3.982  -0.350   2.881
  709   1HG1  VAL 120          1HG1      VAL 120   1.329  -1.765   3.084
  710   2HG1  VAL 120          2HG1      VAL 120   2.832  -2.441   2.457
  711   3HG1  VAL 120          3HG1      VAL 120   2.038  -1.119   1.603
  712   1HG2  VAL 120          1HG2      VAL 120   1.387   0.666   4.002
  713   2HG2  VAL 120          2HG2      VAL 120   2.117   1.153   2.473
  714   3HG2  VAL 120          3HG2      VAL 120   2.931   1.517   3.995
  715    H    PHE 121           H        PHE 121   2.529   0.473   6.477
  716    HA   PHE 121           HA       PHE 121   0.261  -1.251   7.185
  717   1HB   PHE 121          1HB       PHE 121   1.594   0.947   8.791
  718   2HB   PHE 121          2HB       PHE 121   0.283  -0.085   9.352
  719    HD1  PHE 121           HD1      PHE 121   3.847   0.196   8.796
  720    HD2  PHE 121           HD2      PHE 121   0.690  -2.495   9.748
  721    HE1  PHE 121           HE1      PHE 121   5.492  -1.440   9.608
  722    HE2  PHE 121           HE2      PHE 121   2.332  -4.136  10.566
  723    HZ   PHE 121           HZ       PHE 121   4.737  -3.608  10.494
  724    H    VAL 122           H        VAL 122  -1.617  -0.647   6.401
  725    HA   VAL 122           HA       VAL 122  -2.060   2.211   5.814
  726    HB   VAL 122           HB       VAL 122  -3.334  -0.117   4.699
  727   1HG1  VAL 122          1HG1      VAL 122  -4.113   1.531   3.048
  728   2HG1  VAL 122          2HG1      VAL 122  -3.363   2.819   3.992
  729   3HG1  VAL 122          3HG1      VAL 122  -4.705   1.897   4.670
  730   1HG2  VAL 122          1HG2      VAL 122  -1.979   0.351   2.732
  731   2HG2  VAL 122          2HG2      VAL 122  -0.978  -0.084   4.117
  732   3HG2  VAL 122          3HG2      VAL 122  -1.114   1.604   3.622
  733    H    LYS 123           H        LYS 123  -3.168   2.970   7.530
  734    HA   LYS 123           HA       LYS 123  -5.821   1.836   7.938
  735   1HB   LYS 123          1HB       LYS 123  -5.714   1.666  10.276
  736   2HB   LYS 123          2HB       LYS 123  -4.228   0.925   9.717
  737   1HG   LYS 123          1HG       LYS 123  -4.490   3.711  10.831
  738   2HG   LYS 123          2HG       LYS 123  -3.890   2.305  11.706
  739   1HD   LYS 123          1HD       LYS 123  -2.158   2.167   9.774
  740   2HD   LYS 123          2HD       LYS 123  -2.613   3.848   9.484
  741   1HE   LYS 123          1HE       LYS 123  -1.382   2.641  11.944
  742   2HE   LYS 123          2HE       LYS 123  -0.740   3.920  10.916
  743   1HZ   LYS 123          1HZ       LYS 123  -1.570   4.857  12.941
  744   2HZ   LYS 123          2HZ       LYS 123  -3.081   4.119  12.738
  745   3HZ   LYS 123          3HZ       LYS 123  -2.591   5.347  11.674
  746    H    ARG 124           H        ARG 124  -7.266   3.397   9.089
  747    HA   ARG 124           HA       ARG 124  -6.966   5.920   7.814
  748   1HB   ARG 124          1HB       ARG 124  -8.988   4.956   9.839
  749   2HB   ARG 124          2HB       ARG 124  -9.088   6.496   8.998
  750   1HG   ARG 124          1HG       ARG 124  -9.256   5.346   6.866
  751   2HG   ARG 124          2HG       ARG 124  -9.080   3.790   7.678
  752   1HD   ARG 124          1HD       ARG 124 -11.332   5.762   8.044
  753   2HD   ARG 124          2HD       ARG 124 -11.417   4.220   7.190
  754    HE   ARG 124           HE       ARG 124 -10.663   4.206  10.017
  755   1HH1  ARG 124          1HH1      ARG 124 -13.048   3.523   7.549
  756   2HH1  ARG 124          2HH1      ARG 124 -14.010   2.503   8.580
  757   1HH2  ARG 124          1HH2      ARG 124 -11.896   2.897  11.376
  758   2HH2  ARG 124          2HH2      ARG 124 -13.351   2.142  10.780
  759    H    VAL 125           H        VAL 125  -5.476   7.245   8.466
  760    HA   VAL 125           HA       VAL 125  -4.145   8.576   9.709
  761    HB   VAL 125           HB       VAL 125  -6.424   8.745  11.446
  762   1HG1  VAL 125          1HG1      VAL 125  -4.410   9.846  12.249
  763   2HG1  VAL 125          2HG1      VAL 125  -5.561  11.053  11.674
  764   3HG1  VAL 125          3HG1      VAL 125  -4.176  10.610  10.677
  765   1HG2  VAL 125          1HG2      VAL 125  -5.902  10.103   8.813
  766   2HG2  VAL 125          2HG2      VAL 125  -7.187  10.514   9.949
  767   3HG2  VAL 125          3HG2      VAL 125  -7.185   8.941   9.152
  768    H2   HC4 169           H2       HC4 169  -7.062   4.049  -3.292
  769    H3   HC4 169           H3       HC4 169  -8.178   2.120  -5.273
  770    H2'  HC4 169           H2'      HC4 169  -9.318   0.147  -4.152
  771    H3'  HC4 169           H3'      HC4 169  -9.609  -1.329  -2.202
  772    H5'  HC4 169           H5'      HC4 169  -7.874   1.676   0.270
  773    H6'  HC4 169           H6'      HC4 169  -7.402   3.035  -1.722
  Start of MODEL    4
    1    H    LEU  26           H        LEU  26 -11.148  -4.561  14.405
    2    HA   LEU  26           HA       LEU  26  -9.265  -5.400  13.117
    3   1HB   LEU  26          1HB       LEU  26 -10.380  -3.476  11.079
    4   2HB   LEU  26          2HB       LEU  26  -8.714  -3.985  11.064
    5    HG   LEU  26           HG       LEU  26  -9.881  -5.220   9.460
    6   1HD1  LEU  26          1HD1      LEU  26  -9.424  -6.965  11.867
    7   2HD1  LEU  26          2HD1      LEU  26  -8.201  -6.453  10.705
    8   3HD1  LEU  26          3HD1      LEU  26  -9.511  -7.517  10.194
    9   1HD2  LEU  26          1HD2      LEU  26 -11.804  -6.648   9.960
   10   2HD2  LEU  26          2HD2      LEU  26 -12.150  -4.944  10.255
   11   3HD2  LEU  26          3HD2      LEU  26 -11.824  -6.025  11.610
   12    H    ALA  27           H        ALA  27  -7.256  -4.247  13.245
   13    HA   ALA  27           HA       ALA  27  -7.533  -1.738  14.769
   14   1HB   ALA  27          1HB       ALA  27  -5.211  -3.666  14.650
   15   2HB   ALA  27          2HB       ALA  27  -6.404  -3.561  15.946
   16   3HB   ALA  27          3HB       ALA  27  -5.301  -2.217  15.650
   17    H    PHE  28           H        PHE  28  -5.520  -3.290  12.292
   18    HA   PHE  28           HA       PHE  28  -5.503  -0.919  10.701
   19   1HB   PHE  28          1HB       PHE  28  -3.066  -0.578  10.670
   20   2HB   PHE  28          2HB       PHE  28  -3.729  -0.290  12.272
   21    HD1  PHE  28           HD1      PHE  28  -1.551  -2.393  10.248
   22    HD2  PHE  28           HD2      PHE  28  -3.266  -1.838  14.105
   23    HE1  PHE  28           HE1      PHE  28   0.096  -3.949  11.202
   24    HE2  PHE  28           HE2      PHE  28  -1.619  -3.395  15.063
   25    HZ   PHE  28           HZ       PHE  28   0.065  -4.452  13.611
   26    H    GLY  29           H        GLY  29  -4.302  -1.282   8.654
   27   1HA   GLY  29          1HA       GLY  29  -4.482  -4.137   7.964
   28   2HA   GLY  29          2HA       GLY  29  -4.640  -2.799   6.832
   29    H    ALA  30           H        ALA  30  -2.656  -5.217   7.764
   30    HA   ALA  30           HA       ALA  30  -0.210  -3.744   7.105
   31   1HB   ALA  30          1HB       ALA  30   1.001  -5.672   7.984
   32   2HB   ALA  30          2HB       ALA  30  -0.523  -6.514   8.265
   33   3HB   ALA  30          3HB       ALA  30  -0.140  -5.053   9.178
   34    H    ILE  31           H        ILE  31  -0.046  -3.642   4.977
   35    HA   ILE  31           HA       ILE  31  -0.400  -6.103   3.400
   36    HB   ILE  31           HB       ILE  31  -0.144  -3.370   2.522
   37   1HG1  ILE  31          1HG1      ILE  31  -2.639  -4.996   2.984
   38   2HG1  ILE  31          2HG1      ILE  31  -2.101  -3.666   4.003
   39   1HG2  ILE  31          1HG2      ILE  31  -1.187  -4.299   0.484
   40   2HG2  ILE  31          2HG2      ILE  31  -1.075  -5.910   1.190
   41   3HG2  ILE  31          3HG2      ILE  31   0.393  -5.007   0.818
   42   1HD1  ILE  31          1HD1      ILE  31  -2.880  -3.477   1.105
   43   2HD1  ILE  31          2HD1      ILE  31  -2.315  -2.137   2.106
   44   3HD1  ILE  31          3HD1      ILE  31  -3.839  -2.944   2.486
   45    H    GLN  32           H        GLN  32   1.292  -6.466   1.722
   46    HA   GLN  32           HA       GLN  32   3.774  -4.991   2.244
   47   1HB   GLN  32          1HB       GLN  32   3.816  -7.197   3.400
   48   2HB   GLN  32          2HB       GLN  32   3.632  -7.979   1.835
   49   1HG   GLN  32          1HG       GLN  32   5.751  -7.308   1.127
   50   2HG   GLN  32          2HG       GLN  32   5.882  -6.086   2.392
   51   1HE2  GLN  32          1HE2      GLN  32   7.761  -6.820   3.227
   52   2HE2  GLN  32          2HE2      GLN  32   7.902  -8.315   4.078
   53    H    LEU  33           H        LEU  33   4.880  -4.396   0.488
   54    HA   LEU  33           HA       LEU  33   4.281  -5.620  -2.061
   55   1HB   LEU  33          1HB       LEU  33   3.665  -3.660  -3.215
   56   2HB   LEU  33          2HB       LEU  33   2.659  -3.728  -1.787
   57    HG   LEU  33           HG       LEU  33   5.090  -1.960  -2.126
   58   1HD1  LEU  33          1HD1      LEU  33   3.451  -0.135  -2.256
   59   2HD1  LEU  33          2HD1      LEU  33   2.148  -1.323  -2.254
   60   3HD1  LEU  33          3HD1      LEU  33   3.294  -1.276  -3.592
   61   1HD2  LEU  33          1HD2      LEU  33   4.781  -2.445   0.201
   62   2HD2  LEU  33          2HD2      LEU  33   3.049  -2.148   0.084
   63   3HD2  LEU  33          3HD2      LEU  33   4.186  -0.814  -0.106
   64    H    ASP  34           H        ASP  34   5.811  -4.875  -3.802
   65    HA   ASP  34           HA       ASP  34   8.373  -4.162  -2.556
   66   1HB   ASP  34          1HB       ASP  34   9.527  -5.191  -4.402
   67   2HB   ASP  34          2HB       ASP  34   8.374  -6.330  -3.727
   68    H    GLY  35           H        GLY  35   9.907  -3.055  -4.201
   69   1HA   GLY  35          1HA       GLY  35   9.102  -0.422  -4.150
   70   2HA   GLY  35          2HA       GLY  35  10.467  -1.023  -5.066
   71    H    ASP  36           H        ASP  36   8.569  -2.678  -6.780
   72    HA   ASP  36           HA       ASP  36   8.049  -0.445  -8.583
   73   1HB   ASP  36          1HB       ASP  36   8.276  -3.407  -9.016
   74   2HB   ASP  36          2HB       ASP  36   7.573  -2.357 -10.245
   75    H    GLY  37           H        GLY  37   6.343  -2.345  -6.393
   76   1HA   GLY  37          1HA       GLY  37   4.149  -1.378  -5.898
   77   2HA   GLY  37          2HA       GLY  37   3.853  -1.352  -7.627
   78    H    ASN  38           H        ASN  38   5.424  -4.194  -6.954
   79    HA   ASN  38           HA       ASN  38   3.057  -5.717  -7.431
   80   1HB   ASN  38          1HB       ASN  38   5.837  -6.582  -6.620
   81   2HB   ASN  38          2HB       ASN  38   4.538  -7.694  -7.037
   82   1HD2  ASN  38          1HD2      ASN  38   7.192  -7.075  -8.241
   83   2HD2  ASN  38          2HD2      ASN  38   6.853  -6.769  -9.916
   84    H    ILE  39           H        ILE  39   1.643  -6.469  -6.014
   85    HA   ILE  39           HA       ILE  39   2.146  -6.156  -3.185
   86    HB   ILE  39           HB       ILE  39  -0.068  -7.463  -4.455
   87   1HG1  ILE  39          1HG1      ILE  39   0.324  -4.526  -3.890
   88   2HG1  ILE  39          2HG1      ILE  39   0.347  -5.254  -5.492
   89   1HG2  ILE  39          1HG2      ILE  39   0.332  -5.972  -1.858
   90   2HG2  ILE  39          2HG2      ILE  39   0.148  -7.718  -2.031
   91   3HG2  ILE  39          3HG2      ILE  39  -1.194  -6.644  -2.429
   92   1HD1  ILE  39          1HD1      ILE  39  -1.991  -5.232  -3.600
   93   2HD1  ILE  39          2HD1      ILE  39  -1.970  -5.955  -5.210
   94   3HD1  ILE  39          3HD1      ILE  39  -1.789  -4.211  -5.023
   95    H    LEU  40           H        LEU  40   2.131  -7.840  -1.671
   96    HA   LEU  40           HA       LEU  40   2.772 -10.499  -2.766
   97   1HB   LEU  40          1HB       LEU  40   3.501  -9.182  -0.153
   98   2HB   LEU  40          2HB       LEU  40   3.774 -10.881  -0.483
   99    HG   LEU  40           HG       LEU  40   5.259 -10.236  -2.388
  100   1HD1  LEU  40          1HD1      LEU  40   5.001  -7.460  -1.245
  101   2HD1  LEU  40          2HD1      LEU  40   4.350  -7.998  -2.795
  102   3HD1  LEU  40          3HD1      LEU  40   6.097  -7.966  -2.531
  103   1HD2  LEU  40          1HD2      LEU  40   6.035  -9.178   0.326
  104   2HD2  LEU  40          2HD2      LEU  40   7.148  -9.590  -0.979
  105   3HD2  LEU  40          3HD2      LEU  40   6.174 -10.850  -0.220
  106    H    GLN  41           H        GLN  41   1.253  -8.918   0.013
  107    HA   GLN  41           HA       GLN  41  -1.042 -10.566  -0.088
  108   1HB   GLN  41          1HB       GLN  41  -0.640 -11.615   2.202
  109   2HB   GLN  41          2HB       GLN  41   0.226 -12.310   0.843
  110   1HG   GLN  41          1HG       GLN  41   1.840 -12.241   2.479
  111   2HG   GLN  41          2HG       GLN  41   2.158 -10.760   1.580
  112   1HE2  GLN  41          1HE2      GLN  41   3.184  -9.813   3.338
  113   2HE2  GLN  41          2HE2      GLN  41   2.307  -9.243   4.711
  114    H    TYR  42           H        TYR  42  -2.640  -9.907   1.296
  115    HA   TYR  42           HA       TYR  42  -2.258  -7.285   2.547
  116   1HB   TYR  42          1HB       TYR  42  -4.762  -8.817   1.808
  117   2HB   TYR  42          2HB       TYR  42  -4.780  -7.318   2.709
  118    HD1  TYR  42           HD1      TYR  42  -6.414  -6.891   0.729
  119    HD2  TYR  42           HD2      TYR  42  -2.188  -7.140   0.321
  120    HE1  TYR  42           HE1      TYR  42  -6.550  -5.604  -1.351
  121    HE2  TYR  42           HE2      TYR  42  -2.316  -5.852  -1.771
  122    HH   TYR  42           HH       TYR  42  -5.031  -4.126  -2.705
  123    H    ASN  43           H        ASN  43  -3.933  -7.042   4.463
  124    HA   ASN  43           HA       ASN  43  -3.692  -9.356   6.264
  125   1HB   ASN  43          1HB       ASN  43  -2.571  -7.272   7.046
  126   2HB   ASN  43          2HB       ASN  43  -4.116  -6.438   6.962
  127   1HD2  ASN  43          1HD2      ASN  43  -5.420  -6.482   8.664
  128   2HD2  ASN  43          2HD2      ASN  43  -5.183  -7.469  10.086
  129    H    ALA  44           H        ALA  44  -5.619  -9.562   7.773
  130    HA   ALA  44           HA       ALA  44  -7.938 -10.049   6.345
  131   1HB   ALA  44          1HB       ALA  44  -9.043 -10.338   8.502
  132   2HB   ALA  44          2HB       ALA  44  -7.704  -9.515   9.303
  133   3HB   ALA  44          3HB       ALA  44  -7.437 -11.067   8.509
  134    H    ALA  45           H        ALA  45  -6.901  -7.155   7.923
  135    HA   ALA  45           HA       ALA  45  -9.063  -5.536   8.115
  136   1HB   ALA  45          1HB       ALA  45  -6.802  -4.854   8.662
  137   2HB   ALA  45          2HB       ALA  45  -7.550  -3.683   7.573
  138   3HB   ALA  45          3HB       ALA  45  -6.375  -4.845   6.948
  139    H    GLU  46           H        GLU  46  -7.206  -6.069   5.104
  140    HA   GLU  46           HA       GLU  46  -8.870  -4.255   3.634
  141   1HB   GLU  46          1HB       GLU  46  -6.847  -6.212   2.538
  142   2HB   GLU  46          2HB       GLU  46  -7.489  -4.786   1.731
  143   1HG   GLU  46          1HG       GLU  46  -5.582  -4.931   4.036
  144   2HG   GLU  46          2HG       GLU  46  -5.350  -4.188   2.456
  145    HE2  GLU  46           HE2      GLU  46  -7.016  -2.111   1.985
  146    H    GLY  47           H        GLY  47  -8.681  -7.727   4.041
  147   1HA   GLY  47          1HA       GLY  47 -10.541  -8.472   2.053
  148   2HA   GLY  47          2HA       GLY  47 -10.194  -9.375   3.525
  149    H    ASP  48           H        ASP  48 -10.918  -6.940   5.131
  150    HA   ASP  48           HA       ASP  48 -13.781  -7.401   5.208
  151   1HB   ASP  48          1HB       ASP  48 -12.654  -7.380   7.335
  152   2HB   ASP  48          2HB       ASP  48 -11.927  -5.813   6.991
  153    H    ILE  49           H        ILE  49 -11.523  -4.813   4.441
  154    HA   ILE  49           HA       ILE  49 -13.240  -2.659   4.141
  155    HB   ILE  49           HB       ILE  49 -11.036  -3.509   2.507
  156   1HG1  ILE  49          1HG1      ILE  49 -10.459  -3.268   4.807
  157   2HG1  ILE  49          2HG1      ILE  49  -9.812  -1.917   3.891
  158   1HG2  ILE  49          1HG2      ILE  49 -12.405  -1.892   1.304
  159   2HG2  ILE  49          2HG2      ILE  49 -10.912  -1.139   1.866
  160   3HG2  ILE  49          3HG2      ILE  49 -12.425  -0.839   2.720
  161   1HD1  ILE  49          1HD1      ILE  49 -12.276  -1.866   5.613
  162   2HD1  ILE  49          2HD1      ILE  49 -11.644  -0.507   4.684
  163   3HD1  ILE  49          3HD1      ILE  49 -10.705  -1.179   6.018
  164    H    THR  50           H        THR  50 -12.311  -5.043   1.664
  165    HA   THR  50           HA       THR  50 -14.948  -4.705   0.470
  166    HB   THR  50           HB       THR  50 -13.683  -3.300  -0.670
  167    HG1  THR  50           HG1      THR  50 -15.141  -4.948  -1.702
  168   1HG2  THR  50          1HG2      THR  50 -11.698  -3.961  -1.907
  169   2HG2  THR  50          2HG2      THR  50 -11.759  -5.560  -1.168
  170   3HG2  THR  50          3HG2      THR  50 -11.452  -4.141  -0.169
  171    H    GLY  51           H        GLY  51 -11.942  -6.582   0.618
  172   1HA   GLY  51          1HA       GLY  51 -12.208  -8.997   0.975
  173   2HA   GLY  51          2HA       GLY  51 -13.525  -8.940  -0.188
  174    H    ARG  52           H        ARG  52 -10.081  -8.107   0.048
  175    HA   ARG  52           HA       ARG  52  -9.761  -9.113  -2.702
  176   1HB   ARG  52          1HB       ARG  52  -9.181  -6.614  -1.949
  177   2HB   ARG  52          2HB       ARG  52  -7.685  -7.381  -1.436
  178   1HG   ARG  52          1HG       ARG  52  -7.172  -6.692  -3.569
  179   2HG   ARG  52          2HG       ARG  52  -7.670  -8.364  -3.842
  180   1HD   ARG  52          1HD       ARG  52  -8.696  -6.925  -5.497
  181   2HD   ARG  52          2HD       ARG  52  -9.932  -7.566  -4.412
  182    HE   ARG  52           HE       ARG  52  -8.941  -5.028  -3.552
  183   1HH1  ARG  52          1HH1      ARG  52 -11.130  -6.523  -5.848
  184   2HH1  ARG  52          2HH1      ARG  52 -12.212  -5.164  -5.880
  185   1HH2  ARG  52          1HH2      ARG  52 -10.362  -3.235  -3.622
  186   2HH2  ARG  52          2HH2      ARG  52 -11.778  -3.299  -4.628
  187    H    ASP  53           H        ASP  53  -9.249 -11.213  -2.340
  188    HA   ASP  53           HA       ASP  53  -7.845 -12.270  -0.197
  189   1HB   ASP  53          1HB       ASP  53  -9.104 -13.691  -1.712
  190   2HB   ASP  53          2HB       ASP  53  -8.008 -13.306  -3.035
  191    HA   PRO  54           HA       PRO  54  -3.830 -10.567  -0.625
  192   1HB   PRO  54          1HB       PRO  54  -3.024 -12.972   0.922
  193   2HB   PRO  54          2HB       PRO  54  -2.768 -11.263   1.282
  194   1HG   PRO  54          1HG       PRO  54  -4.586 -12.649   2.623
  195   2HG   PRO  54          2HG       PRO  54  -4.920 -10.980   2.116
  196   1HD   PRO  54          1HD       PRO  54  -5.853 -13.556   0.898
  197   2HD   PRO  54          2HD       PRO  54  -6.755 -12.050   1.176
  198    H    LYS  55           H        LYS  55  -4.609 -13.755  -1.727
  199    HA   LYS  55           HA       LYS  55  -1.943 -14.120  -2.878
  200   1HB   LYS  55          1HB       LYS  55  -4.331 -15.969  -2.839
  201   2HB   LYS  55          2HB       LYS  55  -2.762 -16.360  -3.531
  202   1HG   LYS  55          1HG       LYS  55  -1.754 -16.055  -1.290
  203   2HG   LYS  55          2HG       LYS  55  -3.374 -15.815  -0.635
  204   1HD   LYS  55          1HD       LYS  55  -2.704 -18.106  -0.284
  205   2HD   LYS  55          2HD       LYS  55  -4.000 -18.059  -1.481
  206   1HE   LYS  55          1HE       LYS  55  -2.343 -18.228  -3.276
  207   2HE   LYS  55          2HE       LYS  55  -1.051 -18.289  -2.075
  208   1HZ   LYS  55          1HZ       LYS  55  -3.183 -20.297  -2.536
  209   2HZ   LYS  55          2HZ       LYS  55  -2.167 -20.317  -1.179
  210   3HZ   LYS  55          3HZ       LYS  55  -1.510 -20.498  -2.731
  211    H    GLN  56           H        GLN  56  -4.699 -12.566  -3.721
  212    HA   GLN  56           HA       GLN  56  -4.531 -13.313  -6.558
  213   1HB   GLN  56          1HB       GLN  56  -6.612 -11.524  -5.311
  214   2HB   GLN  56          2HB       GLN  56  -6.696 -12.381  -6.845
  215   1HG   GLN  56          1HG       GLN  56  -6.734 -13.617  -4.104
  216   2HG   GLN  56          2HG       GLN  56  -8.105 -13.443  -5.193
  217   1HE2  GLN  56          1HE2      GLN  56  -6.689 -15.767  -3.945
  218   2HE2  GLN  56          2HE2      GLN  56  -6.369 -16.840  -5.268
  219    H    VAL  57           H        VAL  57  -3.041 -11.258  -4.612
  220    HA   VAL  57           HA       VAL  57  -2.946  -9.121  -6.635
  221    HB   VAL  57           HB       VAL  57  -1.981  -7.826  -4.891
  222   1HG1  VAL  57          1HG1      VAL  57  -4.851  -8.771  -4.712
  223   2HG1  VAL  57          2HG1      VAL  57  -4.237  -7.521  -5.795
  224   3HG1  VAL  57          3HG1      VAL  57  -4.223  -7.262  -4.051
  225   1HG2  VAL  57          1HG2      VAL  57  -2.652  -8.445  -2.623
  226   2HG2  VAL  57          2HG2      VAL  57  -1.470  -9.565  -3.299
  227   3HG2  VAL  57          3HG2      VAL  57  -3.172 -10.022  -3.212
  228    H    ILE  58           H        ILE  58  -1.338 -11.715  -6.150
  229    HA   ILE  58           HA       ILE  58   1.261 -10.678  -5.483
  230    HB   ILE  58           HB       ILE  58   0.564 -13.220  -6.627
  231   1HG1  ILE  58          1HG1      ILE  58   0.791 -12.374  -3.740
  232   2HG1  ILE  58          2HG1      ILE  58  -0.719 -12.735  -4.571
  233   1HG2  ILE  58          1HG2      ILE  58   2.931 -12.237  -5.035
  234   2HG2  ILE  58          2HG2      ILE  58   2.932 -12.590  -6.763
  235   3HG2  ILE  58          3HG2      ILE  58   2.672 -13.889  -5.597
  236   1HD1  ILE  58          1HD1      ILE  58   0.004 -14.609  -3.211
  237   2HD1  ILE  58          2HD1      ILE  58   1.537 -14.669  -4.080
  238   3HD1  ILE  58          3HD1      ILE  58   0.031 -15.034  -4.922
  239    H    GLY  59           H        GLY  59   2.754  -9.931  -6.827
  240   1HA   GLY  59          1HA       GLY  59   3.799  -9.367  -8.810
  241   2HA   GLY  59          2HA       GLY  59   2.878 -10.642  -9.603
  242    H    LYS  60           H        LYS  60   0.941  -8.586  -7.800
  243    HA   LYS  60           HA       LYS  60  -0.013  -7.301 -10.256
  244   1HB   LYS  60          1HB       LYS  60  -1.747  -8.565  -9.403
  245   2HB   LYS  60          2HB       LYS  60  -1.327  -8.234  -7.727
  246   1HG   LYS  60          1HG       LYS  60  -2.308  -6.063  -7.875
  247   2HG   LYS  60          2HG       LYS  60  -2.478  -6.192  -9.629
  248   1HD   LYS  60          1HD       LYS  60  -3.896  -7.888  -7.572
  249   2HD   LYS  60          2HD       LYS  60  -4.615  -6.586  -8.524
  250   1HE   LYS  60          1HE       LYS  60  -4.276  -7.811 -10.562
  251   2HE   LYS  60          2HE       LYS  60  -3.355  -9.055  -9.716
  252   1HZ   LYS  60          1HZ       LYS  60  -6.244  -8.454  -9.356
  253   2HZ   LYS  60          2HZ       LYS  60  -5.370  -9.607  -8.468
  254   3HZ   LYS  60          3HZ       LYS  60  -5.587  -9.812 -10.137
  255    H    ASN  61           H        ASN  61  -0.210  -5.116 -10.369
  256    HA   ASN  61           HA       ASN  61   1.545  -3.742  -8.524
  257   1HB   ASN  61          1HB       ASN  61   1.492  -3.521 -11.097
  258   2HB   ASN  61          2HB       ASN  61   0.119  -2.449 -10.831
  259   1HD2  ASN  61          1HD2      ASN  61   3.525  -2.869 -10.541
  260   2HD2  ASN  61          2HD2      ASN  61   3.897  -1.245 -10.063
  261    H    PHE  62           H        PHE  62   0.852  -2.800  -6.762
  262    HA   PHE  62           HA       PHE  62  -1.883  -2.225  -6.214
  263   1HB   PHE  62          1HB       PHE  62  -0.189  -2.875  -4.506
  264   2HB   PHE  62          2HB       PHE  62   0.593  -1.317  -4.728
  265    HD1  PHE  62           HD1      PHE  62   0.082   0.364  -3.249
  266    HD2  PHE  62           HD2      PHE  62  -2.779  -2.717  -3.927
  267    HE1  PHE  62           HE1      PHE  62  -1.373   1.340  -1.521
  268    HE2  PHE  62           HE2      PHE  62  -4.239  -1.744  -2.201
  269    HZ   PHE  62           HZ       PHE  62  -3.536   0.284  -0.995
  270    H    PHE  63           H        PHE  63   0.167  -0.587  -8.196
  271    HA   PHE  63           HA       PHE  63  -1.074   2.004  -7.541
  272   1HB   PHE  63          1HB       PHE  63   1.532   1.508  -8.994
  273   2HB   PHE  63          2HB       PHE  63   0.842   3.084  -8.624
  274    HD1  PHE  63           HD1      PHE  63   2.674   0.227  -7.343
  275    HD2  PHE  63           HD2      PHE  63   0.792   3.900  -6.312
  276    HE1  PHE  63           HE1      PHE  63   3.858   0.226  -5.188
  277    HE2  PHE  63           HE2      PHE  63   1.977   3.904  -4.158
  278    HZ   PHE  63           HZ       PHE  63   3.510   2.065  -3.592
  279    H    LYS  64           H        LYS  64  -1.137  -0.515  -9.725
  280    HA   LYS  64           HA       LYS  64  -2.126   1.212 -11.863
  281   1HB   LYS  64          1HB       LYS  64  -0.069  -0.945 -12.084
  282   2HB   LYS  64          2HB       LYS  64  -0.922  -0.286 -13.465
  283   1HG   LYS  64          1HG       LYS  64  -0.019   1.892 -13.068
  284   2HG   LYS  64          2HG       LYS  64   0.684   1.368 -11.538
  285   1HD   LYS  64          1HD       LYS  64   2.111  -0.209 -12.781
  286   2HD   LYS  64          2HD       LYS  64   1.446   0.421 -14.289
  287   1HE   LYS  64          1HE       LYS  64   2.327   2.616 -13.809
  288   2HE   LYS  64          2HE       LYS  64   2.884   2.082 -12.226
  289   1HZ   LYS  64          1HZ       LYS  64   4.410   0.559 -13.316
  290   2HZ   LYS  64          2HZ       LYS  64   4.696   2.153 -13.805
  291   3HZ   LYS  64          3HZ       LYS  64   3.883   1.088 -14.842
  292    H    ASP  65           H        ASP  65  -2.060  -2.033 -10.448
  293    HA   ASP  65           HA       ASP  65  -4.057  -2.941 -12.356
  294   1HB   ASP  65          1HB       ASP  65  -2.453  -4.356 -10.245
  295   2HB   ASP  65          2HB       ASP  65  -3.805  -5.134 -11.057
  296    H    VAL  66           H        VAL  66  -3.934  -3.899  -8.971
  297    HA   VAL  66           HA       VAL  66  -6.821  -3.722  -8.906
  298    HB   VAL  66           HB       VAL  66  -5.434  -5.438  -8.122
  299   1HG1  VAL  66          1HG1      VAL  66  -4.635  -5.258  -5.807
  300   2HG1  VAL  66          2HG1      VAL  66  -4.998  -3.533  -5.839
  301   3HG1  VAL  66          3HG1      VAL  66  -3.766  -4.195  -6.914
  302   1HG2  VAL  66          1HG2      VAL  66  -7.513  -4.270  -6.306
  303   2HG2  VAL  66          2HG2      VAL  66  -6.936  -5.936  -6.272
  304   3HG2  VAL  66          3HG2      VAL  66  -7.795  -5.329  -7.688
  305    H    ALA  67           H        ALA  67  -4.873  -1.365  -8.758
  306    HA   ALA  67           HA       ALA  67  -6.509   0.335  -7.194
  307   1HB   ALA  67          1HB       ALA  67  -3.788  -0.267  -6.026
  308   2HB   ALA  67          2HB       ALA  67  -5.337  -0.740  -5.326
  309   3HB   ALA  67          3HB       ALA  67  -4.911   0.968  -5.455
  310    HA   PRO  68           HA       PRO  68  -3.863   2.523 -10.203
  311   1HB   PRO  68          1HB       PRO  68  -5.762   3.492 -11.806
  312   2HB   PRO  68          2HB       PRO  68  -5.258   1.801 -11.901
  313   1HG   PRO  68          1HG       PRO  68  -7.710   2.983 -10.705
  314   2HG   PRO  68          2HG       PRO  68  -7.496   1.426 -11.520
  315   1HD   PRO  68          1HD       PRO  68  -7.551   1.877  -8.734
  316   2HD   PRO  68          2HD       PRO  68  -7.063   0.380  -9.555
  317    H    CYS  69           H        CYS  69  -5.861   3.517  -7.737
  318    HA   CYS  69           HA       CYS  69  -5.950   6.315  -8.499
  319   1HB   CYS  69          1HB       CYS  69  -7.220   6.738  -6.564
  320   2HB   CYS  69          2HB       CYS  69  -7.764   5.161  -7.106
  321    H    THR  70           H        THR  70  -3.700   4.260  -7.254
  322    HA   THR  70           HA       THR  70  -2.869   5.844  -4.984
  323    HB   THR  70           HB       THR  70  -1.248   4.070  -4.882
  324    HG1  THR  70           HG1      THR  70  -2.162   2.195  -6.087
  325   1HG2  THR  70          1HG2      THR  70  -2.950   2.587  -3.933
  326   2HG2  THR  70          2HG2      THR  70  -4.211   3.548  -4.704
  327   3HG2  THR  70          3HG2      THR  70  -3.202   4.264  -3.449
  328    H    ASP  71           H        ASP  71  -1.570   4.780  -8.094
  329    HA   ASP  71           HA       ASP  71   1.046   5.650  -7.928
  330   1HB   ASP  71          1HB       ASP  71   0.297   4.401  -9.844
  331   2HB   ASP  71          2HB       ASP  71  -0.844   5.665 -10.287
  332    H    SER  72           H        SER  72   1.764   7.556  -7.265
  333    HA   SER  72           HA       SER  72   0.857  10.027  -8.407
  334   1HB   SER  72          1HB       SER  72   0.245   9.506  -5.478
  335   2HB   SER  72          2HB       SER  72   0.037  11.043  -6.313
  336    HG   SER  72           HG       SER  72  -1.243   9.087  -7.647
  337    HA   PRO  73           HA       PRO  73   4.977  11.177  -7.123
  338   1HB   PRO  73          1HB       PRO  73   3.883  13.901  -6.723
  339   2HB   PRO  73          2HB       PRO  73   5.206  13.364  -7.763
  340   1HG   PRO  73          1HG       PRO  73   2.848  14.081  -8.792
  341   2HG   PRO  73          2HG       PRO  73   3.783  12.737  -9.475
  342   1HD   PRO  73          1HD       PRO  73   1.379  12.661  -7.692
  343   2HD   PRO  73          2HD       PRO  73   1.791  11.627  -9.077
  344    H    GLU  74           H        GLU  74   2.126  11.979  -5.283
  345    HA   GLU  74           HA       GLU  74   3.700  12.547  -2.889
  346   1HB   GLU  74          1HB       GLU  74   1.613  13.321  -1.915
  347   2HB   GLU  74          2HB       GLU  74   1.890  14.089  -3.472
  348   1HG   GLU  74          1HG       GLU  74   0.307  12.564  -4.518
  349   2HG   GLU  74          2HG       GLU  74   0.047  11.764  -2.969
  350    H    PHE  75           H        PHE  75   2.554   9.835  -4.307
  351    HA   PHE  75           HA       PHE  75   2.268   8.525  -1.689
  352   1HB   PHE  75          1HB       PHE  75   0.072   8.622  -2.871
  353   2HB   PHE  75          2HB       PHE  75   0.782   7.703  -4.195
  354    HD1  PHE  75           HD1      PHE  75   0.654   5.381  -4.162
  355    HD2  PHE  75           HD2      PHE  75   0.193   7.533  -0.524
  356    HE1  PHE  75           HE1      PHE  75   0.079   3.289  -3.000
  357    HE2  PHE  75           HE2      PHE  75  -0.382   5.447   0.642
  358    HZ   PHE  75           HZ       PHE  75  -0.440   3.322  -0.594
  359    H    TYR  76           H        TYR  76   2.498   7.420  -5.057
  360    HA   TYR  76           HA       TYR  76   4.332   5.363  -4.547
  361   1HB   TYR  76          1HB       TYR  76   2.954   5.446  -6.571
  362   2HB   TYR  76          2HB       TYR  76   3.788   6.899  -7.101
  363    HD1  TYR  76           HD1      TYR  76   5.423   6.645  -8.699
  364    HD2  TYR  76           HD2      TYR  76   4.612   3.388  -6.088
  365    HE1  TYR  76           HE1      TYR  76   7.056   5.272  -9.917
  366    HE2  TYR  76           HE2      TYR  76   6.250   2.005  -7.296
  367    HH   TYR  76           HH       TYR  76   8.412   3.357  -9.640
  368    H    GLY  77           H        GLY  77   4.771   8.747  -5.467
  369   1HA   GLY  77          1HA       GLY  77   7.560   8.692  -5.847
  370   2HA   GLY  77          2HA       GLY  77   6.618  10.113  -5.421
  371    H    LYS  78           H        LYS  78   5.634   9.076  -2.922
  372    HA   LYS  78           HA       LYS  78   7.940   9.574  -1.261
  373   1HB   LYS  78          1HB       LYS  78   5.019   9.109  -0.703
  374   2HB   LYS  78          2HB       LYS  78   6.201   9.165   0.597
  375   1HG   LYS  78          1HG       LYS  78   6.772  11.416   0.086
  376   2HG   LYS  78          2HG       LYS  78   5.813  11.385  -1.396
  377   1HD   LYS  78          1HD       LYS  78   3.776  11.144  -0.090
  378   2HD   LYS  78          2HD       LYS  78   4.718  11.088   1.401
  379   1HE   LYS  78          1HE       LYS  78   5.477  13.355   1.047
  380   2HE   LYS  78          2HE       LYS  78   4.646  13.418  -0.508
  381   1HZ   LYS  78          1HZ       LYS  78   3.118  12.833   1.940
  382   2HZ   LYS  78          2HZ       LYS  78   2.589  13.545   0.497
  383   3HZ   LYS  78          3HZ       LYS  78   3.541  14.429   1.585
  384    H    PHE  79           H        PHE  79   5.943   6.881  -2.188
  385    HA   PHE  79           HA       PHE  79   6.913   4.889  -0.472
  386   1HB   PHE  79          1HB       PHE  79   4.963   4.570  -1.884
  387   2HB   PHE  79          2HB       PHE  79   5.942   4.755  -3.333
  388    HD1  PHE  79           HD1      PHE  79   5.711   2.640  -0.281
  389    HD2  PHE  79           HD2      PHE  79   6.653   2.871  -4.420
  390    HE1  PHE  79           HE1      PHE  79   6.070   0.210  -0.329
  391    HE2  PHE  79           HE2      PHE  79   7.011   0.441  -4.477
  392    HZ   PHE  79           HZ       PHE  79   6.742  -0.880  -2.435
  393    H    LYS  80           H        LYS  80   8.217   6.359  -3.307
  394    HA   LYS  80           HA       LYS  80  10.395   4.421  -3.486
  395   1HB   LYS  80          1HB       LYS  80   9.723   6.726  -5.329
  396   2HB   LYS  80          2HB       LYS  80  10.953   5.503  -5.617
  397   1HG   LYS  80          1HG       LYS  80   7.966   5.120  -5.540
  398   2HG   LYS  80          2HG       LYS  80   9.042   4.939  -6.926
  399   1HD   LYS  80          1HD       LYS  80   9.250   3.246  -4.445
  400   2HD   LYS  80          2HD       LYS  80   8.274   2.794  -5.842
  401   1HE   LYS  80          1HE       LYS  80  11.208   3.426  -6.039
  402   2HE   LYS  80          2HE       LYS  80  10.607   1.802  -5.707
  403   1HZ   LYS  80          1HZ       LYS  80  10.179   3.440  -8.144
  404   2HZ   LYS  80          2HZ       LYS  80   9.271   2.051  -7.802
  405   3HZ   LYS  80          3HZ       LYS  80  10.944   1.928  -8.018
  406    H    GLU  81           H        GLU  81   9.750   7.230  -1.902
  407    HA   GLU  81           HA       GLU  81  12.029   8.812  -2.254
  408   1HB   GLU  81          1HB       GLU  81  10.007   9.596  -1.119
  409   2HB   GLU  81          2HB       GLU  81  10.282   8.461   0.191
  410   1HG   GLU  81          1HG       GLU  81  10.934  10.671   0.867
  411   2HG   GLU  81          2HG       GLU  81  12.357   9.637   0.756
  412    H    GLY  82           H        GLY  82  11.335   6.376   0.245
  413   1HA   GLY  82          1HA       GLY  82  13.958   6.520   1.370
  414   2HA   GLY  82          2HA       GLY  82  12.739   5.301   1.724
  415    H    VAL  83           H        VAL  83  12.484   4.638  -1.146
  416    HA   VAL  83           HA       VAL  83  14.329   2.510  -1.256
  417    HB   VAL  83           HB       VAL  83  12.900   3.769  -3.409
  418   1HG1  VAL  83          1HG1      VAL  83  13.993   0.986  -3.000
  419   2HG1  VAL  83          2HG1      VAL  83  14.641   2.195  -4.107
  420   3HG1  VAL  83          3HG1      VAL  83  13.031   1.526  -4.376
  421   1HG2  VAL  83          1HG2      VAL  83  11.414   3.275  -1.556
  422   2HG2  VAL  83          2HG2      VAL  83  12.056   1.634  -1.470
  423   3HG2  VAL  83          3HG2      VAL  83  11.160   2.157  -2.897
  424    H    ALA  84           H        ALA  84  14.107   5.491  -3.206
  425    HA   ALA  84           HA       ALA  84  16.485   5.052  -4.657
  426   1HB   ALA  84          1HB       ALA  84  14.742   6.571  -5.434
  427   2HB   ALA  84          2HB       ALA  84  16.297   7.399  -5.323
  428   3HB   ALA  84          3HB       ALA  84  15.070   7.654  -4.081
  429    H    SER  85           H        SER  85  15.815   6.507  -1.572
  430    HA   SER  85           HA       SER  85  18.420   7.605  -1.178
  431   1HB   SER  85          1HB       SER  85  16.246   6.888   0.810
  432   2HB   SER  85          2HB       SER  85  17.682   7.834   1.188
  433    HG   SER  85           HG       SER  85  15.568   8.505  -0.594
  434    H    GLY  86           H        GLY  86  17.015   5.242   1.019
  435   1HA   GLY  86          1HA       GLY  86  18.828   3.135   0.390
  436   2HA   GLY  86          2HA       GLY  86  19.370   4.033   1.805
  437    H    ASN  87           H        ASN  87  17.522   4.512   3.365
  438    HA   ASN  87           HA       ASN  87  16.214   1.988   4.001
  439   1HB   ASN  87          1HB       ASN  87  15.665   3.200   6.166
  440   2HB   ASN  87          2HB       ASN  87  17.377   2.930   5.860
  441   1HD2  ASN  87          1HD2      ASN  87  14.819   5.315   5.940
  442   2HD2  ASN  87          2HD2      ASN  87  15.852   6.702   5.988
  443    H    LEU  88           H        LEU  88  14.078   1.673   3.865
  444    HA   LEU  88           HA       LEU  88  12.426   3.962   3.049
  445   1HB   LEU  88          1HB       LEU  88  12.695   2.102   1.386
  446   2HB   LEU  88          2HB       LEU  88  11.906   1.031   2.522
  447    HG   LEU  88           HG       LEU  88  10.521   2.008   0.582
  448   1HD1  LEU  88          1HD1      LEU  88   8.510   2.151   1.970
  449   2HD1  LEU  88          2HD1      LEU  88   9.521   2.227   3.414
  450   3HD1  LEU  88          3HD1      LEU  88   9.522   0.776   2.411
  451   1HD2  LEU  88          1HD2      LEU  88  11.241   4.328   0.842
  452   2HD2  LEU  88          2HD2      LEU  88  10.500   4.380   2.442
  453   3HD2  LEU  88          3HD2      LEU  88   9.492   4.170   1.010
  454    H    ASN  89           H        ASN  89  11.490   4.719   4.830
  455    HA   ASN  89           HA       ASN  89   9.607   3.103   6.236
  456   1HB   ASN  89          1HB       ASN  89  10.580   3.317   8.484
  457   2HB   ASN  89          2HB       ASN  89  11.584   2.334   7.429
  458   1HD2  ASN  89          1HD2      ASN  89  12.185   3.867   9.879
  459   2HD2  ASN  89          2HD2      ASN  89  13.499   4.911   9.458
  460    H    THR  90           H        THR  90   8.876   5.098   4.907
  461    HA   THR  90           HA       THR  90   8.829   7.428   6.680
  462    HB   THR  90           HB       THR  90   9.618   7.690   4.528
  463    HG1  THR  90           HG1      THR  90   7.720   9.369   4.175
  464   1HG2  THR  90          1HG2      THR  90   8.272   6.139   3.276
  465   2HG2  THR  90          2HG2      THR  90   7.980   7.775   2.689
  466   3HG2  THR  90          3HG2      THR  90   6.799   6.991   3.737
  467    H    MET  91           H        MET  91   6.857   8.531   6.998
  468    HA   MET  91           HA       MET  91   4.437   6.941   6.518
  469   1HB   MET  91          1HB       MET  91   3.577   7.495   8.718
  470   2HB   MET  91          2HB       MET  91   5.123   6.680   8.875
  471   1HG   MET  91          1HG       MET  91   4.728   9.659   9.075
  472   2HG   MET  91          2HG       MET  91   4.804   8.558  10.448
  473   1HE   MET  91          1HE       MET  91   6.719  10.020  11.530
  474   2HE   MET  91          2HE       MET  91   6.661  11.136  10.165
  475   3HE   MET  91          3HE       MET  91   8.206  10.469  10.695
  476    H    PHE  92           H        PHE  92   2.924   8.035   5.464
  477    HA   PHE  92           HA       PHE  92   2.697  10.914   5.899
  478   1HB   PHE  92          1HB       PHE  92   2.640  11.411   3.483
  479   2HB   PHE  92          2HB       PHE  92   4.205  10.797   3.997
  480    HD1  PHE  92           HD1      PHE  92   1.149  10.046   2.120
  481    HD2  PHE  92           HD2      PHE  92   5.038   8.706   3.198
  482    HE1  PHE  92           HE1      PHE  92   1.039   8.330   0.366
  483    HE2  PHE  92           HE2      PHE  92   4.933   6.983   1.450
  484    HZ   PHE  92           HZ       PHE  92   2.940   6.810   0.015
  485    H    GLU  93           H        GLU  93   0.752  11.796   4.686
  486    HA   GLU  93           HA       GLU  93  -1.446   9.899   5.120
  487   1HB   GLU  93          1HB       GLU  93  -1.344  12.003   6.478
  488   2HB   GLU  93          2HB       GLU  93  -1.522  12.922   4.992
  489   1HG   GLU  93          1HG       GLU  93  -3.707  11.924   4.622
  490   2HG   GLU  93          2HG       GLU  93  -3.525  10.966   6.090
  491    H    TYR  94           H        TYR  94  -2.788   9.362   3.508
  492    HA   TYR  94           HA       TYR  94  -2.926  10.917   1.061
  493   1HB   TYR  94          1HB       TYR  94  -0.990   9.347   0.743
  494   2HB   TYR  94          2HB       TYR  94  -2.098   8.001   0.977
  495    HD1  TYR  94           HD1      TYR  94  -3.062   7.024  -0.889
  496    HD2  TYR  94           HD2      TYR  94  -1.678  11.034  -1.157
  497    HE1  TYR  94           HE1      TYR  94  -3.577   7.034  -3.294
  498    HE2  TYR  94           HE2      TYR  94  -2.190  11.057  -3.560
  499    HH   TYR  94           HH       TYR  94  -4.102   8.791  -5.078
  500    H    THR  95           H        THR  95  -4.635   9.862  -0.437
  501    HA   THR  95           HA       THR  95  -6.797   8.989   1.337
  502    HB   THR  95           HB       THR  95  -8.147   9.635  -0.503
  503    HG1  THR  95           HG1      THR  95  -6.454   9.728  -2.078
  504   1HG2  THR  95          1HG2      THR  95  -7.990  11.975   0.166
  505   2HG2  THR  95          2HG2      THR  95  -6.434  11.657   0.930
  506   3HG2  THR  95          3HG2      THR  95  -7.898  10.902   1.563
  507    H    PHE  96           H        PHE  96  -8.374   7.487   0.574
  508    HA   PHE  96           HA       PHE  96  -7.427   5.665  -1.560
  509   1HB   PHE  96          1HB       PHE  96  -9.110   5.172   0.895
  510   2HB   PHE  96          2HB       PHE  96  -9.149   4.072  -0.481
  511    HD1  PHE  96           HD1      PHE  96  -6.328   4.083  -1.303
  512    HD2  PHE  96           HD2      PHE  96  -8.078   3.963   2.574
  513    HE1  PHE  96           HE1      PHE  96  -4.328   2.942  -0.439
  514    HE2  PHE  96           HE2      PHE  96  -6.080   2.826   3.448
  515    HZ   PHE  96           HZ       PHE  96  -4.213   2.282   1.925
  516    H    ASP  97           H        ASP  97  -8.502   5.740  -3.376
  517    HA   ASP  97           HA       ASP  97 -11.279   6.690  -3.413
  518   1HB   ASP  97          1HB       ASP  97  -9.656   8.549  -3.874
  519   2HB   ASP  97          2HB       ASP  97  -9.088   7.655  -5.280
  520    H    TYR  98           H        TYR  98 -11.210   6.652  -6.397
  521    HA   TYR  98           HA       TYR  98 -11.456   5.245  -8.154
  522   1HB   TYR  98          1HB       TYR  98  -9.243   4.444  -7.937
  523   2HB   TYR  98          2HB       TYR  98  -9.628   3.527  -6.486
  524    HD1  TYR  98           HD1      TYR  98  -9.866   1.240  -6.700
  525    HD2  TYR  98           HD2      TYR  98 -10.622   3.709 -10.082
  526    HE1  TYR  98           HE1      TYR  98 -10.214  -0.766  -8.078
  527    HE2  TYR  98           HE2      TYR  98 -10.979   1.707 -11.464
  528    HH   TYR  98           HH       TYR  98 -10.237  -0.711 -11.410
  529    H    GLN  99           H        GLN  99 -11.541   3.000  -5.375
  530    HA   GLN  99           HA       GLN  99 -14.226   2.197  -6.283
  531   1HB   GLN  99          1HB       GLN  99 -13.687   0.069  -4.915
  532   2HB   GLN  99          2HB       GLN  99 -12.951   0.261  -6.498
  533   1HG   GLN  99          1HG       GLN  99 -11.292  -0.575  -5.050
  534   2HG   GLN  99          2HG       GLN  99 -10.910   1.119  -5.329
  535   1HE2  GLN  99          1HE2      GLN  99  -9.757   1.409  -3.520
  536   2HE2  GLN  99          2HE2      GLN  99 -10.418   1.361  -1.924
  537    H    MET 100           H        MET 100 -12.692   3.957  -4.013
  538    HA   MET 100           HA       MET 100 -14.788   3.475  -2.011
  539   1HB   MET 100          1HB       MET 100 -12.602   2.570  -1.265
  540   2HB   MET 100          2HB       MET 100 -11.909   4.176  -1.435
  541   1HG   MET 100          1HG       MET 100 -12.428   3.688   0.881
  542   2HG   MET 100          2HG       MET 100 -13.414   5.019   0.282
  543   1HE   MET 100          1HE       MET 100 -14.966   0.718   0.941
  544   2HE   MET 100          2HE       MET 100 -13.335   1.248   1.351
  545   3HE   MET 100          3HE       MET 100 -13.829   1.143  -0.339
  546    H    THR 101           H        THR 101 -15.752   5.250  -1.158
  547    HA   THR 101           HA       THR 101 -15.536   7.794  -2.248
  548    HB   THR 101           HB       THR 101 -16.029   7.172   0.520
  549    HG1  THR 101           HG1      THR 101 -17.588   6.829  -1.849
  550   1HG2  THR 101          1HG2      THR 101 -15.907   9.544  -0.038
  551   2HG2  THR 101          2HG2      THR 101 -17.562   9.053   0.322
  552   3HG2  THR 101          3HG2      THR 101 -17.059   9.297  -1.351
  553    HA   PRO 102           HA       PRO 102 -11.403   8.916  -1.350
  554   1HB   PRO 102          1HB       PRO 102 -11.895  11.660  -0.921
  555   2HB   PRO 102          2HB       PRO 102 -11.444  10.884  -2.441
  556   1HG   PRO 102          1HG       PRO 102 -14.123  11.689  -1.446
  557   2HG   PRO 102          2HG       PRO 102 -13.500  11.649  -3.106
  558   1HD   PRO 102          1HD       PRO 102 -15.215   9.802  -2.219
  559   2HD   PRO 102          2HD       PRO 102 -13.901   9.374  -3.331
  560    H    THR 103           H        THR 103 -11.246   7.821   0.606
  561    HA   THR 103           HA       THR 103 -11.721   9.417   3.027
  562    HB   THR 103           HB       THR 103 -10.893   7.287   3.976
  563    HG1  THR 103           HG1      THR 103 -12.105   6.394   1.571
  564   1HG2  THR 103          1HG2      THR 103 -13.215   6.581   4.066
  565   2HG2  THR 103          2HG2      THR 103 -13.614   7.690   2.754
  566   3HG2  THR 103          3HG2      THR 103 -13.078   8.322   4.309
  567    H    LYS 104           H        LYS 104 -10.013   9.401   4.718
  568    HA   LYS 104           HA       LYS 104  -7.414   9.685   3.373
  569   1HB   LYS 104          1HB       LYS 104  -6.834  11.238   5.242
  570   2HB   LYS 104          2HB       LYS 104  -8.150  11.795   4.220
  571   1HG   LYS 104          1HG       LYS 104  -9.765  11.335   5.870
  572   2HG   LYS 104          2HG       LYS 104  -8.632  10.370   6.818
  573   1HD   LYS 104          1HD       LYS 104  -8.380  13.335   6.317
  574   2HD   LYS 104          2HD       LYS 104  -9.034  12.609   7.790
  575   1HE   LYS 104          1HE       LYS 104  -6.923  11.519   8.230
  576   2HE   LYS 104          2HE       LYS 104  -6.267  12.113   6.706
  577   1HZ   LYS 104          1HZ       LYS 104  -6.611  14.396   7.585
  578   2HZ   LYS 104          2HZ       LYS 104  -5.458  13.488   8.427
  579   3HZ   LYS 104          3HZ       LYS 104  -7.003  13.719   9.095
  580    H    VAL 105           H        VAL 105  -5.772   8.461   3.923
  581    HA   VAL 105           HA       VAL 105  -5.899   7.033   6.485
  582    HB   VAL 105           HB       VAL 105  -6.426   5.736   4.664
  583   1HG1  VAL 105          1HG1      VAL 105  -3.604   6.308   3.787
  584   2HG1  VAL 105          2HG1      VAL 105  -5.081   6.765   2.936
  585   3HG1  VAL 105          3HG1      VAL 105  -4.655   5.063   3.111
  586   1HG2  VAL 105          1HG2      VAL 105  -4.911   3.918   5.231
  587   2HG2  VAL 105          2HG2      VAL 105  -5.519   4.759   6.657
  588   3HG2  VAL 105          3HG2      VAL 105  -3.878   5.062   6.086
  589    H    LYS 106           H        LYS 106  -3.899   6.595   7.481
  590    HA   LYS 106           HA       LYS 106  -1.653   8.221   6.478
  591   1HB   LYS 106          1HB       LYS 106  -2.654   8.767   8.752
  592   2HB   LYS 106          2HB       LYS 106  -2.066   7.204   9.296
  593   1HG   LYS 106          1HG       LYS 106   0.207   7.862   8.931
  594   2HG   LYS 106          2HG       LYS 106  -0.306   9.379   8.186
  595   1HD   LYS 106          1HD       LYS 106  -1.394  10.002  10.327
  596   2HD   LYS 106          2HD       LYS 106  -0.735   8.535  11.052
  597   1HE   LYS 106          1HE       LYS 106   1.532   9.326  10.570
  598   2HE   LYS 106          2HE       LYS 106   0.865  10.794   9.857
  599   1HZ   LYS 106          1HZ       LYS 106   1.581  11.167  12.131
  600   2HZ   LYS 106          2HZ       LYS 106   0.541   9.947  12.687
  601   3HZ   LYS 106          3HZ       LYS 106  -0.101  11.358  11.999
  602    H    VAL 107           H        VAL 107   0.053   7.083   5.705
  603    HA   VAL 107           HA       VAL 107   0.010   4.215   6.299
  604    HB   VAL 107           HB       VAL 107  -0.617   4.622   4.215
  605   1HG1  VAL 107          1HG1      VAL 107   0.884   5.693   2.582
  606   2HG1  VAL 107          2HG1      VAL 107   1.942   6.182   3.905
  607   3HG1  VAL 107          3HG1      VAL 107   0.298   6.817   3.808
  608   1HG2  VAL 107          1HG2      VAL 107   2.197   3.598   4.379
  609   2HG2  VAL 107          2HG2      VAL 107   1.090   3.348   3.030
  610   3HG2  VAL 107          3HG2      VAL 107   0.717   2.670   4.615
  611    H    HIS 108           H        HIS 108   1.716   3.337   7.147
  612    HA   HIS 108           HA       HIS 108   4.260   4.811   7.080
  613   1HB   HIS 108          1HB       HIS 108   3.130   4.343   9.344
  614   2HB   HIS 108          2HB       HIS 108   3.521   2.652   9.063
  615    HD1  HIS 108           HD1      HIS 108   4.870   3.183  11.400
  616    HD2  HIS 108           HD2      HIS 108   6.413   4.790   7.885
  617    HE1  HIS 108           HE1      HIS 108   7.257   3.793  11.920
  618    HE2  HIS 108           HE2      HIS 108   8.069   5.000   9.863
  619    H    MET 109           H        MET 109   5.377   4.000   5.434
  620    HA   MET 109           HA       MET 109   5.150   1.116   4.888
  621   1HB   MET 109          1HB       MET 109   5.909   1.632   2.620
  622   2HB   MET 109          2HB       MET 109   4.495   2.582   3.056
  623   1HG   MET 109          1HG       MET 109   6.114   4.468   3.585
  624   2HG   MET 109          2HG       MET 109   7.331   3.507   2.743
  625   1HE   MET 109          1HE       MET 109   3.630   4.871   2.337
  626   2HE   MET 109          2HE       MET 109   3.613   3.233   1.680
  627   3HE   MET 109          3HE       MET 109   3.409   4.615   0.605
  628    H    LYS 110           H        LYS 110   6.878  -0.245   5.011
  629    HA   LYS 110           HA       LYS 110   9.461   0.939   5.762
  630   1HB   LYS 110          1HB       LYS 110   7.897  -1.008   7.461
  631   2HB   LYS 110          2HB       LYS 110   9.560  -0.525   7.764
  632   1HG   LYS 110          1HG       LYS 110   8.902   1.736   8.170
  633   2HG   LYS 110          2HG       LYS 110   7.248   1.393   7.662
  634   1HD   LYS 110          1HD       LYS 110   7.390   1.483  10.078
  635   2HD   LYS 110          2HD       LYS 110   7.001  -0.153   9.547
  636   1HE   LYS 110          1HE       LYS 110   9.318  -0.826   9.858
  637   2HE   LYS 110          2HE       LYS 110   9.755   0.820  10.310
  638   1HZ   LYS 110          1HZ       LYS 110   8.349   0.646  12.250
  639   2HZ   LYS 110          2HZ       LYS 110   9.463  -0.629  12.241
  640   3HZ   LYS 110          3HZ       LYS 110   7.854  -0.913  11.803
  641    H    LYS 111           H        LYS 111  11.088  -0.051   4.926
  642    HA   LYS 111           HA       LYS 111  10.885  -2.277   3.163
  643   1HB   LYS 111          1HB       LYS 111  12.411  -0.287   2.997
  644   2HB   LYS 111          2HB       LYS 111  13.325  -0.927   4.346
  645   1HG   LYS 111          1HG       LYS 111  13.630  -3.005   2.820
  646   2HG   LYS 111          2HG       LYS 111  13.173  -1.882   1.531
  647   1HD   LYS 111          1HD       LYS 111  14.939  -0.320   2.387
  648   2HD   LYS 111          2HD       LYS 111  15.471  -1.608   3.465
  649   1HE   LYS 111          1HE       LYS 111  16.907  -1.832   1.673
  650   2HE   LYS 111          2HE       LYS 111  15.653  -3.011   1.299
  651   1HZ   LYS 111          1HZ       LYS 111  16.366  -1.560  -0.590
  652   2HZ   LYS 111          2HZ       LYS 111  15.645  -0.254   0.209
  653   3HZ   LYS 111          3HZ       LYS 111  14.699  -1.568  -0.293
  654    H    ALA 112           H        ALA 112  10.774  -4.429   3.864
  655    HA   ALA 112           HA       ALA 112  12.816  -5.561   5.432
  656   1HB   ALA 112          1HB       ALA 112  11.682  -6.051   7.520
  657   2HB   ALA 112          2HB       ALA 112  10.258  -5.163   6.978
  658   3HB   ALA 112          3HB       ALA 112  11.774  -4.309   7.264
  659    H    LEU 113           H        LEU 113  12.655  -7.129   3.715
  660    HA   LEU 113           HA       LEU 113  11.635  -9.483   4.783
  661   1HB   LEU 113          1HB       LEU 113   9.442  -8.621   4.003
  662   2HB   LEU 113          2HB       LEU 113  10.064  -8.675   2.365
  663    HG   LEU 113           HG       LEU 113  10.454 -11.143   2.688
  664   1HD1  LEU 113          1HD1      LEU 113   9.224 -12.256   4.476
  665   2HD1  LEU 113          2HD1      LEU 113   8.761 -10.689   5.140
  666   3HD1  LEU 113          3HD1      LEU 113  10.457 -11.173   5.122
  667   1HD2  LEU 113          1HD2      LEU 113   7.615 -10.153   2.903
  668   2HD2  LEU 113          2HD2      LEU 113   8.111 -11.750   2.344
  669   3HD2  LEU 113          3HD2      LEU 113   8.554 -10.316   1.418
  670    H    SER 114           H        SER 114  13.793  -9.901   4.329
  671    HA   SER 114           HA       SER 114  15.471 -10.945   3.169
  672   1HB   SER 114          1HB       SER 114  13.045 -12.357   2.033
  673   2HB   SER 114          2HB       SER 114  14.688 -12.997   2.067
  674    HG   SER 114           HG       SER 114  14.529 -12.695   4.430
  675    H    GLY 115           H        GLY 115  14.889  -8.531   1.892
  676   1HA   GLY 115          1HA       GLY 115  15.895  -8.669  -0.639
  677   2HA   GLY 115          2HA       GLY 115  14.176  -8.996  -0.827
  678    H    ASP 116           H        ASP 116  13.101  -7.267  -1.462
  679    HA   ASP 116           HA       ASP 116  13.690  -4.715  -0.154
  680   1HB   ASP 116          1HB       ASP 116  14.661  -5.266  -2.678
  681   2HB   ASP 116          2HB       ASP 116  13.168  -4.391  -3.012
  682    H    SER 117           H        SER 117  11.521  -6.545   0.142
  683    HA   SER 117           HA       SER 117   9.321  -5.048  -0.996
  684   1HB   SER 117          1HB       SER 117   8.028  -7.040   0.184
  685   2HB   SER 117          2HB       SER 117   8.787  -7.249  -1.396
  686    HG   SER 117           HG       SER 117   9.491  -8.295   1.079
  687    H    TYR 118           H        TYR 118   7.865  -3.943   0.282
  688    HA   TYR 118           HA       TYR 118   8.934  -3.378   2.959
  689   1HB   TYR 118          1HB       TYR 118   7.187  -1.479   1.433
  690   2HB   TYR 118          2HB       TYR 118   8.429  -1.131   2.632
  691    HD1  TYR 118           HD1      TYR 118   7.726  -1.657  -0.886
  692    HD2  TYR 118           HD2      TYR 118  10.804  -1.221   2.010
  693    HE1  TYR 118           HE1      TYR 118   9.333  -1.170  -2.681
  694    HE2  TYR 118           HE2      TYR 118  12.419  -0.736   0.222
  695    HH   TYR 118           HH       TYR 118  11.490   0.022  -2.943
  696    H    TRP 119           H        TRP 119   7.359  -2.700   4.526
  697    HA   TRP 119           HA       TRP 119   4.799  -4.076   4.205
  698   1HB   TRP 119          1HB       TRP 119   6.341  -3.088   6.608
  699   2HB   TRP 119          2HB       TRP 119   4.662  -3.616   6.720
  700    HD1  TRP 119           HD1      TRP 119   8.201  -4.948   6.306
  701    HE1  TRP 119           HE1      TRP 119   8.167  -7.501   6.597
  702    HE3  TRP 119           HE3      TRP 119   3.147  -5.673   6.388
  703    HZ2  TRP 119           HZ2      TRP 119   6.238  -9.558   6.834
  704    HZ3  TRP 119           HZ3      TRP 119   2.286  -7.961   6.648
  705    HH2  TRP 119           HH2      TRP 119   3.800  -9.866   6.866
  706    H    VAL 120           H        VAL 120   3.242  -2.827   3.473
  707    HA   VAL 120           HA       VAL 120   3.263  -0.004   4.257
  708    HB   VAL 120           HB       VAL 120   3.152  -0.466   2.071
  709   1HG1  VAL 120          1HG1      VAL 120   1.230  -1.568   1.053
  710   2HG1  VAL 120          2HG1      VAL 120   0.616  -1.982   2.654
  711   3HG1  VAL 120          3HG1      VAL 120   2.139  -2.669   2.090
  712   1HG2  VAL 120          1HG2      VAL 120   2.036   1.499   2.882
  713   2HG2  VAL 120          2HG2      VAL 120   0.562   0.576   3.176
  714   3HG2  VAL 120          3HG2      VAL 120   1.145   0.807   1.526
  715    H    PHE 121           H        PHE 121   2.132   0.607   5.923
  716    HA   PHE 121           HA       PHE 121   0.031  -1.159   6.947
  717   1HB   PHE 121          1HB       PHE 121   1.678   0.962   8.333
  718   2HB   PHE 121          2HB       PHE 121   0.387   0.050   9.104
  719    HD1  PHE 121           HD1      PHE 121   3.850   0.110   8.223
  720    HD2  PHE 121           HD2      PHE 121   0.627  -2.464   9.258
  721    HE1  PHE 121           HE1      PHE 121   5.456  -1.653   8.823
  722    HE2  PHE 121           HE2      PHE 121   2.227  -4.233   9.859
  723    HZ   PHE 121           HZ       PHE 121   4.645  -3.828   9.642
  724    H    VAL 122           H        VAL 122  -1.976  -0.593   6.875
  725    HA   VAL 122           HA       VAL 122  -2.676   2.159   6.113
  726    HB   VAL 122           HB       VAL 122  -4.123  -0.326   5.999
  727   1HG1  VAL 122          1HG1      VAL 122  -5.676   0.950   4.616
  728   2HG1  VAL 122          2HG1      VAL 122  -4.749   2.419   4.923
  729   3HG1  VAL 122          3HG1      VAL 122  -5.589   1.615   6.248
  730   1HG2  VAL 122          1HG2      VAL 122  -2.211  -0.302   4.519
  731   2HG2  VAL 122          2HG2      VAL 122  -2.697   1.275   3.896
  732   3HG2  VAL 122          3HG2      VAL 122  -3.713  -0.138   3.609
  733    H    LYS 123           H        LYS 123  -3.051   3.286   7.984
  734    HA   LYS 123           HA       LYS 123  -5.339   2.310   9.544
  735   1HB   LYS 123          1HB       LYS 123  -4.418   3.338  11.591
  736   2HB   LYS 123          2HB       LYS 123  -3.428   2.017  10.996
  737   1HG   LYS 123          1HG       LYS 123  -1.766   3.506  10.194
  738   2HG   LYS 123          2HG       LYS 123  -2.813   4.906  10.445
  739   1HD   LYS 123          1HD       LYS 123  -2.746   4.557  12.849
  740   2HD   LYS 123          2HD       LYS 123  -1.775   3.101  12.632
  741   1HE   LYS 123          1HE       LYS 123  -0.903   5.837  11.724
  742   2HE   LYS 123          2HE       LYS 123  -0.501   5.161  13.302
  743   1HZ   LYS 123          1HZ       LYS 123   0.210   3.918  10.696
  744   2HZ   LYS 123          2HZ       LYS 123   0.662   3.362  12.233
  745   3HZ   LYS 123          3HZ       LYS 123   1.266   4.838  11.651
  746    H    ARG 124           H        ARG 124  -6.949   3.733   9.795
  747    HA   ARG 124           HA       ARG 124  -6.897   6.053   8.138
  748   1HB   ARG 124          1HB       ARG 124  -9.243   6.333   8.796
  749   2HB   ARG 124          2HB       ARG 124  -8.904   4.680   8.306
  750   1HG   ARG 124          1HG       ARG 124 -10.220   4.363  10.166
  751   2HG   ARG 124          2HG       ARG 124  -8.601   4.261  10.859
  752   1HD   ARG 124          1HD       ARG 124  -8.774   6.657  11.479
  753   2HD   ARG 124          2HD       ARG 124 -10.437   6.657  10.894
  754    HE   ARG 124           HE       ARG 124 -10.298   4.599  12.715
  755   1HH1  ARG 124          1HH1      ARG 124  -9.755   8.072  12.771
  756   2HH1  ARG 124          2HH1      ARG 124 -10.208   8.228  14.442
  757   1HH2  ARG 124          1HH2      ARG 124 -10.845   4.808  14.922
  758   2HH2  ARG 124          2HH2      ARG 124 -10.827   6.384  15.663
  759    H    VAL 125           H        VAL 125  -7.408   8.213   8.769
  760    HA   VAL 125           HA       VAL 125  -6.627   8.852  11.534
  761    HB   VAL 125           HB       VAL 125  -6.708  10.581   9.237
  762   1HG1  VAL 125          1HG1      VAL 125  -6.953  11.703  11.388
  763   2HG1  VAL 125          2HG1      VAL 125  -5.351  12.004  10.711
  764   3HG1  VAL 125          3HG1      VAL 125  -5.553  10.832  12.014
  765   1HG2  VAL 125          1HG2      VAL 125  -5.080   8.832   8.869
  766   2HG2  VAL 125          2HG2      VAL 125  -4.411   9.097  10.479
  767   3HG2  VAL 125          3HG2      VAL 125  -4.280  10.356   9.251
  768    H2   HC4 169           H2       HC4 169  -7.039   2.903  -3.026
  769    H3   HC4 169           H3       HC4 169  -7.385   0.826  -5.139
  770    H2'  HC4 169           H2'      HC4 169  -7.623  -1.501  -4.229
  771    H3'  HC4 169           H3'      HC4 169  -8.128  -3.042  -2.379
  772    H5'  HC4 169           H5'      HC4 169  -7.600   0.147   0.390
  773    H6'  HC4 169           H6'      HC4 169  -7.280   1.716  -1.479
  Start of MODEL    5
    1    H    LEU  26           H        LEU  26  -6.708  -8.631  14.909
    2    HA   LEU  26           HA       LEU  26  -5.832  -8.394  12.089
    3   1HB   LEU  26          1HB       LEU  26  -8.489  -7.811  13.402
    4   2HB   LEU  26          2HB       LEU  26  -8.023  -7.171  11.846
    5    HG   LEU  26           HG       LEU  26  -7.809  -9.473  11.018
    6   1HD1  LEU  26          1HD1      LEU  26  -8.945 -11.272  12.245
    7   2HD1  LEU  26          2HD1      LEU  26  -9.143 -10.184  13.619
    8   3HD1  LEU  26          3HD1      LEU  26  -7.528 -10.673  13.106
    9   1HD2  LEU  26          1HD2      LEU  26  -9.751  -8.140  10.521
   10   2HD2  LEU  26          2HD2      LEU  26 -10.498  -8.619  12.045
   11   3HD2  LEU  26          3HD2      LEU  26 -10.226  -9.819  10.780
   12    H    ALA  27           H        ALA  27  -5.558  -6.235  11.385
   13    HA   ALA  27           HA       ALA  27  -5.802  -4.053  13.229
   14   1HB   ALA  27          1HB       ALA  27  -3.696  -4.955  14.029
   15   2HB   ALA  27          2HB       ALA  27  -3.417  -3.425  13.197
   16   3HB   ALA  27          3HB       ALA  27  -3.043  -4.947  12.390
   17    H    PHE  28           H        PHE  28  -7.200  -3.532  11.435
   18    HA   PHE  28           HA       PHE  28  -7.754  -2.475   9.503
   19   1HB   PHE  28          1HB       PHE  28  -4.979  -1.285   9.782
   20   2HB   PHE  28          2HB       PHE  28  -6.278  -0.640   8.785
   21    HD1  PHE  28           HD1      PHE  28  -8.381   0.164   9.910
   22    HD2  PHE  28           HD2      PHE  28  -4.809  -0.726  12.041
   23    HE1  PHE  28           HE1      PHE  28  -9.185   1.501  11.810
   24    HE2  PHE  28           HE2      PHE  28  -5.606   0.612  13.946
   25    HZ   PHE  28           HZ       PHE  28  -7.812   1.719  13.833
   26    H    GLY  29           H        GLY  29  -5.858  -1.691   7.354
   27   1HA   GLY  29          1HA       GLY  29  -5.501  -4.373   6.220
   28   2HA   GLY  29          2HA       GLY  29  -5.700  -2.891   5.291
   29    H    ALA  30           H        ALA  30  -3.548  -5.116   5.697
   30    HA   ALA  30           HA       ALA  30  -1.302  -3.228   5.636
   31   1HB   ALA  30          1HB       ALA  30  -1.286  -5.899   7.035
   32   2HB   ALA  30          2HB       ALA  30  -1.284  -4.320   7.821
   33   3HB   ALA  30          3HB       ALA  30   0.097  -4.824   6.845
   34    H    ILE  31           H        ILE  31   0.108  -3.564   4.021
   35    HA   ILE  31           HA       ILE  31  -0.279  -5.966   2.362
   36    HB   ILE  31           HB       ILE  31   0.073  -3.229   1.522
   37   1HG1  ILE  31          1HG1      ILE  31  -2.171  -4.144   0.338
   38   2HG1  ILE  31          2HG1      ILE  31  -2.252  -5.011   1.867
   39   1HG2  ILE  31          1HG2      ILE  31   1.278  -4.733   0.055
   40   2HG2  ILE  31          2HG2      ILE  31  -0.186  -4.146  -0.736
   41   3HG2  ILE  31          3HG2      ILE  31  -0.139  -5.777  -0.068
   42   1HD1  ILE  31          1HD1      ILE  31  -2.049  -2.025   1.535
   43   2HD1  ILE  31          2HD1      ILE  31  -2.114  -2.890   3.071
   44   3HD1  ILE  31          3HD1      ILE  31  -3.493  -2.939   1.975
   45    H    GLN  32           H        GLN  32   1.599  -6.829   1.488
   46    HA   GLN  32           HA       GLN  32   4.098  -5.409   2.103
   47   1HB   GLN  32          1HB       GLN  32   3.719  -7.877   2.789
   48   2HB   GLN  32          2HB       GLN  32   3.902  -8.251   1.076
   49   1HG   GLN  32          1HG       GLN  32   6.129  -7.276   1.086
   50   2HG   GLN  32          2HG       GLN  32   5.951  -6.854   2.790
   51   1HE2  GLN  32          1HE2      GLN  32   7.936  -8.558   1.523
   52   2HE2  GLN  32          2HE2      GLN  32   7.790 -10.101   2.291
   53    H    LEU  33           H        LEU  33   4.959  -4.277   0.448
   54    HA   LEU  33           HA       LEU  33   4.452  -5.284  -2.245
   55   1HB   LEU  33          1HB       LEU  33   3.988  -3.171  -3.172
   56   2HB   LEU  33          2HB       LEU  33   2.951  -3.340  -1.778
   57    HG   LEU  33           HG       LEU  33   5.499  -1.716  -1.852
   58   1HD1  LEU  33          1HD1      LEU  33   3.813  -0.755  -3.301
   59   2HD1  LEU  33          2HD1      LEU  33   3.999   0.225  -1.846
   60   3HD1  LEU  33          3HD1      LEU  33   2.616  -0.854  -2.010
   61   1HD2  LEU  33          1HD2      LEU  33   4.457  -0.703   0.229
   62   2HD2  LEU  33          2HD2      LEU  33   5.138  -2.318   0.393
   63   3HD2  LEU  33          3HD2      LEU  33   3.392  -2.110   0.256
   64    H    ASP  34           H        ASP  34   6.058  -4.796  -3.824
   65    HA   ASP  34           HA       ASP  34   8.653  -4.218  -2.563
   66   1HB   ASP  34          1HB       ASP  34   9.647  -5.719  -3.956
   67   2HB   ASP  34          2HB       ASP  34   8.022  -6.391  -4.017
   68    H    GLY  35           H        GLY  35  10.268  -3.205  -4.171
   69   1HA   GLY  35          1HA       GLY  35   9.552  -0.563  -4.489
   70   2HA   GLY  35          2HA       GLY  35  10.916  -1.319  -5.289
   71    H    ASP  36           H        ASP  36   9.119  -3.157  -6.825
   72    HA   ASP  36           HA       ASP  36   8.675  -1.386  -9.039
   73   1HB   ASP  36          1HB       ASP  36   8.309  -4.332  -8.611
   74   2HB   ASP  36          2HB       ASP  36   7.601  -3.558 -10.025
   75    H    GLY  37           H        GLY  37   6.764  -2.514  -6.438
   76   1HA   GLY  37          1HA       GLY  37   4.682  -1.423  -5.971
   77   2HA   GLY  37          2HA       GLY  37   4.397  -1.309  -7.702
   78    H    ASN  38           H        ASN  38   5.690  -4.302  -7.047
   79    HA   ASN  38           HA       ASN  38   3.156  -5.576  -7.530
   80   1HB   ASN  38          1HB       ASN  38   5.905  -6.727  -7.009
   81   2HB   ASN  38          2HB       ASN  38   4.475  -7.705  -7.327
   82   1HD2  ASN  38          1HD2      ASN  38   6.908  -7.594  -8.826
   83   2HD2  ASN  38          2HD2      ASN  38   6.486  -7.083 -10.426
   84    H    ILE  39           H        ILE  39   1.965  -6.784  -6.144
   85    HA   ILE  39           HA       ILE  39   2.483  -6.309  -3.333
   86    HB   ILE  39           HB       ILE  39   0.324  -7.755  -4.542
   87   1HG1  ILE  39          1HG1      ILE  39   0.620  -4.805  -3.973
   88   2HG1  ILE  39          2HG1      ILE  39   0.556  -5.537  -5.573
   89   1HG2  ILE  39          1HG2      ILE  39  -0.794  -7.097  -2.473
   90   2HG2  ILE  39          2HG2      ILE  39   0.667  -6.268  -1.934
   91   3HG2  ILE  39          3HG2      ILE  39   0.664  -8.022  -2.116
   92   1HD1  ILE  39          1HD1      ILE  39  -1.573  -4.557  -4.981
   93   2HD1  ILE  39          2HD1      ILE  39  -1.649  -5.551  -3.526
   94   3HD1  ILE  39          3HD1      ILE  39  -1.717  -6.310  -5.116
   95    H    LEU  40           H        LEU  40   2.752  -7.860  -1.815
   96    HA   LEU  40           HA       LEU  40   3.774 -10.434  -2.760
   97   1HB   LEU  40          1HB       LEU  40   4.080  -8.776  -0.284
   98   2HB   LEU  40          2HB       LEU  40   4.528 -10.462  -0.267
   99    HG   LEU  40           HG       LEU  40   6.461  -8.976  -0.617
  100   1HD1  LEU  40          1HD1      LEU  40   7.420 -10.150  -2.520
  101   2HD1  LEU  40          2HD1      LEU  40   5.813 -10.683  -3.011
  102   3HD1  LEU  40          3HD1      LEU  40   6.504 -11.253  -1.493
  103   1HD2  LEU  40          1HD2      LEU  40   5.005  -8.206  -3.141
  104   2HD2  LEU  40          2HD2      LEU  40   6.708  -7.859  -2.827
  105   3HD2  LEU  40          3HD2      LEU  40   5.460  -7.150  -1.802
  106    H    GLN  41           H        GLN  41   1.948  -9.159  -0.019
  107    HA   GLN  41           HA       GLN  41  -0.160 -11.028  -0.277
  108   1HB   GLN  41          1HB       GLN  41   0.243 -12.119   1.981
  109   2HB   GLN  41          2HB       GLN  41   1.282 -12.650   0.668
  110   1HG   GLN  41          1HG       GLN  41   2.742 -12.443   2.442
  111   2HG   GLN  41          2HG       GLN  41   2.958 -10.924   1.577
  112   1HE2  GLN  41          1HE2      GLN  41   3.729  -9.862   3.386
  113   2HE2  GLN  41          2HE2      GLN  41   2.694  -9.415   4.700
  114    H    TYR  42           H        TYR  42  -1.836 -10.628   1.141
  115    HA   TYR  42           HA       TYR  42  -1.775  -7.998   2.425
  116   1HB   TYR  42          1HB       TYR  42  -3.966  -9.795   1.444
  117   2HB   TYR  42          2HB       TYR  42  -4.332  -8.565   2.629
  118    HD1  TYR  42           HD1      TYR  42  -5.908  -7.519   1.036
  119    HD2  TYR  42           HD2      TYR  42  -1.763  -7.894   0.142
  120    HE1  TYR  42           HE1      TYR  42  -6.146  -5.861  -0.764
  121    HE2  TYR  42           HE2      TYR  42  -1.993  -6.244  -1.653
  122    HH   TYR  42           HH       TYR  42  -4.764  -4.298  -2.018
  123    H    ASN  43           H        ASN  43  -2.674  -7.712   4.532
  124    HA   ASN  43           HA       ASN  43  -1.867  -9.700   6.419
  125   1HB   ASN  43          1HB       ASN  43  -1.838  -7.150   6.690
  126   2HB   ASN  43          2HB       ASN  43  -3.566  -7.289   6.990
  127   1HD2  ASN  43          1HD2      ASN  43  -3.330  -6.466   9.081
  128   2HD2  ASN  43          2HD2      ASN  43  -2.646  -7.422  10.370
  129    H    ALA  44           H        ALA  44  -4.311  -9.848   4.504
  130    HA   ALA  44           HA       ALA  44  -6.110 -11.220   4.368
  131   1HB   ALA  44          1HB       ALA  44  -4.956 -12.710   5.949
  132   2HB   ALA  44          2HB       ALA  44  -6.709 -12.736   6.138
  133   3HB   ALA  44          3HB       ALA  44  -5.712 -11.842   7.286
  134    H    ALA  45           H        ALA  45  -6.039  -9.185   7.244
  135    HA   ALA  45           HA       ALA  45  -8.759  -9.022   7.754
  136   1HB   ALA  45          1HB       ALA  45  -7.014  -8.195   9.259
  137   2HB   ALA  45          2HB       ALA  45  -8.274  -6.993   8.975
  138   3HB   ALA  45          3HB       ALA  45  -6.716  -6.849   8.159
  139    H    GLU  46           H        GLU  46  -6.967  -7.516   5.181
  140    HA   GLU  46           HA       GLU  46  -8.775  -5.386   4.682
  141   1HB   GLU  46          1HB       GLU  46  -6.418  -5.451   3.869
  142   2HB   GLU  46          2HB       GLU  46  -6.884  -6.702   2.726
  143   1HG   GLU  46          1HG       GLU  46  -6.759  -4.486   1.695
  144   2HG   GLU  46          2HG       GLU  46  -8.378  -5.179   1.600
  145    HE2  GLU  46           HE2      GLU  46  -7.402  -1.669   2.322
  146    H    GLY  47           H        GLY  47  -8.877  -8.752   4.005
  147   1HA   GLY  47          1HA       GLY  47 -10.923  -8.483   1.959
  148   2HA   GLY  47          2HA       GLY  47 -10.317  -9.991   2.638
  149    H    ASP  48           H        ASP  48 -10.821  -8.333   5.295
  150    HA   ASP  48           HA       ASP  48 -13.597  -9.227   5.610
  151   1HB   ASP  48          1HB       ASP  48 -11.860  -9.927   7.290
  152   2HB   ASP  48          2HB       ASP  48 -11.676  -8.234   7.733
  153    H    ILE  49           H        ILE  49 -11.497  -6.433   6.140
  154    HA   ILE  49           HA       ILE  49 -13.547  -4.645   6.902
  155    HB   ILE  49           HB       ILE  49 -11.049  -4.082   5.598
  156   1HG1  ILE  49          1HG1      ILE  49 -10.793  -5.523   7.570
  157   2HG1  ILE  49          2HG1      ILE  49 -10.144  -3.906   7.792
  158   1HG2  ILE  49          1HG2      ILE  49 -11.293  -1.946   6.766
  159   2HG2  ILE  49          2HG2      ILE  49 -12.883  -2.447   7.340
  160   3HG2  ILE  49          3HG2      ILE  49 -12.603  -2.207   5.615
  161   1HD1  ILE  49          1HD1      ILE  49 -12.112  -3.287   9.090
  162   2HD1  ILE  49          2HD1      ILE  49 -11.302  -4.692   9.785
  163   3HD1  ILE  49          3HD1      ILE  49 -12.782  -4.900   8.847
  164    H    THR  50           H        THR  50 -11.654  -4.566   3.865
  165    HA   THR  50           HA       THR  50 -13.884  -3.206   2.586
  166    HB   THR  50           HB       THR  50 -11.326  -3.944   1.521
  167    HG1  THR  50           HG1      THR  50 -10.657  -2.555   2.984
  168   1HG2  THR  50          1HG2      THR  50 -13.008  -3.325  -0.132
  169   2HG2  THR  50          2HG2      THR  50 -11.792  -2.061   0.038
  170   3HG2  THR  50          3HG2      THR  50 -13.378  -1.863   0.782
  171    H    GLY  51           H        GLY  51 -11.750  -5.965   1.837
  172   1HA   GLY  51          1HA       GLY  51 -13.055  -8.054   1.273
  173   2HA   GLY  51          2HA       GLY  51 -13.937  -7.025   0.153
  174    H    ARG  52           H        ARG  52 -10.463  -7.084   0.837
  175    HA   ARG  52           HA       ARG  52 -10.033  -7.752  -1.993
  176   1HB   ARG  52          1HB       ARG  52  -8.245  -6.269  -0.056
  177   2HB   ARG  52          2HB       ARG  52  -7.767  -6.746  -1.680
  178   1HG   ARG  52          1HG       ARG  52  -9.997  -4.854  -0.957
  179   2HG   ARG  52          2HG       ARG  52  -8.447  -4.439  -1.700
  180   1HD   ARG  52          1HD       ARG  52  -9.000  -5.648  -3.689
  181   2HD   ARG  52          2HD       ARG  52 -10.447  -6.318  -2.942
  182    HE   ARG  52           HE       ARG  52 -10.144  -3.439  -3.524
  183   1HH1  ARG  52          1HH1      ARG  52 -12.001  -6.400  -3.502
  184   2HH1  ARG  52          2HH1      ARG  52 -13.411  -5.685  -4.221
  185   1HH2  ARG  52          1HH2      ARG  52 -11.983  -2.482  -4.492
  186   2HH2  ARG  52          2HH2      ARG  52 -13.399  -3.454  -4.806
  187    H    ASP  53           H        ASP  53  -9.079  -9.575  -2.512
  188    HA   ASP  53           HA       ASP  53  -8.709 -11.582  -0.556
  189   1HB   ASP  53          1HB       ASP  53  -9.369 -11.952  -2.966
  190   2HB   ASP  53          2HB       ASP  53  -7.688 -11.652  -3.398
  191    HA   PRO  54           HA       PRO  54  -4.709 -10.506   0.759
  192   1HB   PRO  54          1HB       PRO  54  -4.424 -13.164   1.910
  193   2HB   PRO  54          2HB       PRO  54  -4.658 -11.614   2.722
  194   1HG   PRO  54          1HG       PRO  54  -6.568 -13.536   2.657
  195   2HG   PRO  54          2HG       PRO  54  -6.948 -11.806   2.712
  196   1HD   PRO  54          1HD       PRO  54  -6.937 -13.665   0.369
  197   2HD   PRO  54          2HD       PRO  54  -8.109 -12.402   0.801
  198    H    LYS  55           H        LYS  55  -5.158 -13.080  -1.459
  199    HA   LYS  55           HA       LYS  55  -2.235 -13.356  -1.714
  200   1HB   LYS  55          1HB       LYS  55  -4.259 -15.585  -1.705
  201   2HB   LYS  55          2HB       LYS  55  -2.584 -15.783  -2.205
  202   1HG   LYS  55          1HG       LYS  55  -1.835 -15.097   0.019
  203   2HG   LYS  55          2HG       LYS  55  -3.515 -14.896   0.519
  204   1HD   LYS  55          1HD       LYS  55  -2.247 -17.479  -0.394
  205   2HD   LYS  55          2HD       LYS  55  -2.585 -17.034   1.279
  206   1HE   LYS  55          1HE       LYS  55  -4.981 -16.890   0.729
  207   2HE   LYS  55          2HE       LYS  55  -4.617 -17.405  -0.918
  208   1HZ   LYS  55          1HZ       LYS  55  -5.369 -19.247   0.441
  209   2HZ   LYS  55          2HZ       LYS  55  -4.106 -18.986   1.542
  210   3HZ   LYS  55          3HZ       LYS  55  -3.758 -19.484  -0.042
  211    H    GLN  56           H        GLN  56  -5.106 -12.676  -3.370
  212    HA   GLN  56           HA       GLN  56  -4.321 -13.766  -5.906
  213   1HB   GLN  56          1HB       GLN  56  -6.282 -11.547  -5.301
  214   2HB   GLN  56          2HB       GLN  56  -6.078 -12.323  -6.864
  215   1HG   GLN  56          1HG       GLN  56  -7.084 -13.581  -4.330
  216   2HG   GLN  56          2HG       GLN  56  -8.011 -13.211  -5.781
  217   1HE2  GLN  56          1HE2      GLN  56  -7.641 -15.728  -4.393
  218   2HE2  GLN  56          2HE2      GLN  56  -6.994 -16.830  -5.561
  219    H    VAL  57           H        VAL  57  -3.189 -11.205  -4.093
  220    HA   VAL  57           HA       VAL  57  -2.714  -9.401  -6.314
  221    HB   VAL  57           HB       VAL  57  -1.596  -8.128  -4.639
  222   1HG1  VAL  57          1HG1      VAL  57  -4.522  -8.875  -4.426
  223   2HG1  VAL  57          2HG1      VAL  57  -3.830  -7.681  -5.523
  224   3HG1  VAL  57          3HG1      VAL  57  -3.797  -7.404  -3.782
  225   1HG2  VAL  57          1HG2      VAL  57  -2.153  -8.627  -2.352
  226   2HG2  VAL  57          2HG2      VAL  57  -1.235  -9.968  -3.039
  227   3HG2  VAL  57          3HG2      VAL  57  -2.983 -10.105  -2.833
  228    H    ILE  58           H        ILE  58  -1.166 -12.057  -5.789
  229    HA   ILE  58           HA       ILE  58   1.505 -11.044  -5.366
  230    HB   ILE  58           HB       ILE  58   0.671 -13.641  -6.267
  231   1HG1  ILE  58          1HG1      ILE  58   1.115 -12.565  -3.483
  232   2HG1  ILE  58          2HG1      ILE  58  -0.439 -13.031  -4.166
  233   1HG2  ILE  58          1HG2      ILE  58   3.028 -13.108  -6.644
  234   2HG2  ILE  58          2HG2      ILE  58   2.844 -14.287  -5.345
  235   3HG2  ILE  58          3HG2      ILE  58   3.186 -12.599  -4.962
  236   1HD1  ILE  58          1HD1      ILE  58   0.452 -14.745  -2.688
  237   2HD1  ILE  58          2HD1      ILE  58   1.895 -14.873  -3.695
  238   3HD1  ILE  58          3HD1      ILE  58   0.322 -15.333  -4.345
  239    H    GLY  59           H        GLY  59   2.991 -10.567  -6.878
  240   1HA   GLY  59          1HA       GLY  59   3.851 -10.104  -8.950
  241   2HA   GLY  59          2HA       GLY  59   2.915 -11.459  -9.570
  242    H    LYS  60           H        LYS  60   1.443  -8.871  -7.844
  243    HA   LYS  60           HA       LYS  60   0.268  -7.872 -10.345
  244   1HB   LYS  60          1HB       LYS  60  -0.945  -8.802  -7.823
  245   2HB   LYS  60          2HB       LYS  60  -1.590  -7.288  -8.452
  246   1HG   LYS  60          1HG       LYS  60  -1.959  -8.451 -10.638
  247   2HG   LYS  60          2HG       LYS  60  -1.511  -9.956  -9.833
  248   1HD   LYS  60          1HD       LYS  60  -3.351  -9.718  -8.283
  249   2HD   LYS  60          2HD       LYS  60  -3.761  -8.144  -8.968
  250   1HE   LYS  60          1HE       LYS  60  -3.868 -10.794 -10.400
  251   2HE   LYS  60          2HE       LYS  60  -5.253  -9.877  -9.809
  252   1HZ   LYS  60          1HZ       LYS  60  -3.382  -9.118 -11.982
  253   2HZ   LYS  60          2HZ       LYS  60  -4.513  -8.043 -11.312
  254   3HZ   LYS  60          3HZ       LYS  60  -5.041  -9.442 -12.113
  255    H    ASN  61           H        ASN  61   0.263  -5.699 -10.629
  256    HA   ASN  61           HA       ASN  61   1.903  -4.183  -8.799
  257   1HB   ASN  61          1HB       ASN  61   2.017  -3.981 -11.324
  258   2HB   ASN  61          2HB       ASN  61   0.472  -3.139 -11.247
  259   1HD2  ASN  61          1HD2      ASN  61   3.864  -2.978 -10.588
  260   2HD2  ASN  61          2HD2      ASN  61   3.923  -1.289 -10.210
  261    H    PHE  62           H        PHE  62   1.108  -3.290  -7.069
  262    HA   PHE  62           HA       PHE  62  -1.559  -3.027  -6.369
  263   1HB   PHE  62          1HB       PHE  62   0.282  -2.972  -4.757
  264   2HB   PHE  62          2HB       PHE  62   0.824  -1.429  -5.403
  265    HD1  PHE  62           HD1      PHE  62   0.068   0.549  -4.468
  266    HD2  PHE  62           HD2      PHE  62  -2.085  -3.053  -3.755
  267    HE1  PHE  62           HE1      PHE  62  -1.369   1.732  -2.860
  268    HE2  PHE  62           HE2      PHE  62  -3.523  -1.876  -2.144
  269    HZ   PHE  62           HZ       PHE  62  -3.124   0.493  -1.640
  270    H    PHE  63           H        PHE  63   0.555  -0.706  -7.977
  271    HA   PHE  63           HA       PHE  63  -1.324   1.460  -7.692
  272   1HB   PHE  63          1HB       PHE  63   1.224   1.311  -9.317
  273   2HB   PHE  63          2HB       PHE  63   0.331   2.776  -8.916
  274    HD1  PHE  63           HD1      PHE  63   2.632   0.230  -7.715
  275    HD2  PHE  63           HD2      PHE  63   0.335   3.643  -6.633
  276    HE1  PHE  63           HE1      PHE  63   3.940   0.446  -5.643
  277    HE2  PHE  63           HE2      PHE  63   1.637   3.865  -4.558
  278    HZ   PHE  63           HZ       PHE  63   3.443   2.267  -4.059
  279    H    LYS  64           H        LYS  64  -1.420  -1.145  -9.590
  280    HA   LYS  64           HA       LYS  64  -2.686   0.326 -11.803
  281   1HB   LYS  64          1HB       LYS  64  -0.525  -1.003 -12.294
  282   2HB   LYS  64          2HB       LYS  64  -1.516  -2.430 -12.070
  283   1HG   LYS  64          1HG       LYS  64  -2.108  -0.283 -14.092
  284   2HG   LYS  64          2HG       LYS  64  -1.185  -1.742 -14.443
  285   1HD   LYS  64          1HD       LYS  64  -4.043  -1.657 -13.469
  286   2HD   LYS  64          2HD       LYS  64  -3.533  -1.948 -15.133
  287   1HE   LYS  64          1HE       LYS  64  -2.436  -3.991 -14.491
  288   2HE   LYS  64          2HE       LYS  64  -2.751  -3.671 -12.787
  289   1HZ   LYS  64          1HZ       LYS  64  -4.320  -5.266 -13.642
  290   2HZ   LYS  64          2HZ       LYS  64  -4.794  -4.209 -14.878
  291   3HZ   LYS  64          3HZ       LYS  64  -5.136  -3.829 -13.263
  292    H    ASP  65           H        ASP  65  -2.644  -2.724  -9.999
  293    HA   ASP  65           HA       ASP  65  -5.184  -3.551 -11.013
  294   1HB   ASP  65          1HB       ASP  65  -3.063  -4.720  -9.419
  295   2HB   ASP  65          2HB       ASP  65  -4.651  -5.125  -8.776
  296    H    VAL  66           H        VAL  66  -4.288  -3.217  -7.566
  297    HA   VAL  66           HA       VAL  66  -7.147  -2.828  -7.079
  298    HB   VAL  66           HB       VAL  66  -5.203  -3.160  -5.028
  299   1HG1  VAL  66          1HG1      VAL  66  -7.083  -4.334  -4.006
  300   2HG1  VAL  66          2HG1      VAL  66  -8.046  -4.067  -5.459
  301   3HG1  VAL  66          3HG1      VAL  66  -7.541  -2.695  -4.474
  302   1HG2  VAL  66          1HG2      VAL  66  -6.270  -5.337  -6.805
  303   2HG2  VAL  66          2HG2      VAL  66  -5.402  -5.576  -5.289
  304   3HG2  VAL  66          3HG2      VAL  66  -4.586  -4.832  -6.666
  305    H    ALA  67           H        ALA  67  -4.990  -0.694  -7.793
  306    HA   ALA  67           HA       ALA  67  -6.214   1.370  -6.270
  307   1HB   ALA  67          1HB       ALA  67  -4.703   0.517  -4.541
  308   2HB   ALA  67          2HB       ALA  67  -4.293   2.166  -5.016
  309   3HB   ALA  67          3HB       ALA  67  -3.328   0.812  -5.603
  310    HA   PRO  68           HA       PRO  68  -4.189   3.104  -9.964
  311   1HB   PRO  68          1HB       PRO  68  -6.362   3.295 -11.570
  312   2HB   PRO  68          2HB       PRO  68  -5.372   1.839 -11.460
  313   1HG   PRO  68          1HG       PRO  68  -8.093   2.287 -10.516
  314   2HG   PRO  68          2HG       PRO  68  -7.214   0.764 -10.704
  315   1HD   PRO  68          1HD       PRO  68  -7.655   2.350  -8.294
  316   2HD   PRO  68          2HD       PRO  68  -7.021   0.697  -8.448
  317    H    CYS  69           H        CYS  69  -5.612   4.330  -7.507
  318    HA   CYS  69           HA       CYS  69  -6.129   6.915  -8.831
  319   1HB   CYS  69          1HB       CYS  69  -7.711   7.545  -7.189
  320   2HB   CYS  69          2HB       CYS  69  -8.137   5.897  -7.625
  321    H    THR  70           H        THR  70  -3.601   5.881  -8.097
  322    HA   THR  70           HA       THR  70  -3.260   6.513  -5.256
  323    HB   THR  70           HB       THR  70  -2.676   4.096  -6.705
  324    HG1  THR  70           HG1      THR  70  -4.707   4.370  -4.787
  325   1HG2  THR  70          1HG2      THR  70  -2.709   4.794  -3.781
  326   2HG2  THR  70          2HG2      THR  70  -1.276   4.467  -4.753
  327   3HG2  THR  70          3HG2      THR  70  -2.452   3.187  -4.460
  328    H    ASP  71           H        ASP  71  -1.661   5.446  -8.262
  329    HA   ASP  71           HA       ASP  71   0.972   5.997  -7.318
  330   1HB   ASP  71          1HB       ASP  71   1.678   5.770  -9.645
  331   2HB   ASP  71          2HB       ASP  71   0.574   4.472  -9.217
  332    H    SER  72           H        SER  72   1.898   7.890  -7.018
  333    HA   SER  72           HA       SER  72   1.347  10.252  -8.496
  334   1HB   SER  72          1HB       SER  72   0.232  11.482  -6.601
  335   2HB   SER  72          2HB       SER  72  -0.772  10.220  -7.317
  336    HG   SER  72           HG       SER  72  -0.919   9.486  -5.360
  337    HA   PRO  73           HA       PRO  73   5.156  11.493  -6.630
  338   1HB   PRO  73          1HB       PRO  73   4.009  14.161  -6.029
  339   2HB   PRO  73          2HB       PRO  73   5.419  13.733  -7.004
  340   1HG   PRO  73          1HG       PRO  73   3.159  14.546  -8.156
  341   2HG   PRO  73          2HG       PRO  73   4.142  13.260  -8.881
  342   1HD   PRO  73          1HD       PRO  73   1.612  13.046  -7.295
  343   2HD   PRO  73          2HD       PRO  73   2.116  12.146  -8.742
  344    H    GLU  74           H        GLU  74   2.222  12.243  -4.823
  345    HA   GLU  74           HA       GLU  74   3.745  12.621  -2.375
  346   1HB   GLU  74          1HB       GLU  74   1.543  13.213  -1.379
  347   2HB   GLU  74          2HB       GLU  74   2.013  14.225  -2.737
  348   1HG   GLU  74          1HG       GLU  74   0.537  12.889  -4.198
  349   2HG   GLU  74          2HG       GLU  74   0.013  11.974  -2.784
  350    H    PHE  75           H        PHE  75   2.424  10.012  -3.972
  351    HA   PHE  75           HA       PHE  75   2.366   8.520  -1.431
  352   1HB   PHE  75          1HB       PHE  75   0.101   8.652  -2.456
  353   2HB   PHE  75          2HB       PHE  75   0.735   7.858  -3.894
  354    HD1  PHE  75           HD1      PHE  75   1.112   5.507  -3.942
  355    HD2  PHE  75           HD2      PHE  75  -0.072   7.411  -0.327
  356    HE1  PHE  75           HE1      PHE  75   0.638   3.310  -2.948
  357    HE2  PHE  75           HE2      PHE  75  -0.545   5.215   0.677
  358    HZ   PHE  75           HZ       PHE  75  -0.175   3.170  -0.605
  359    H    TYR  76           H        TYR  76   2.422   7.652  -4.887
  360    HA   TYR  76           HA       TYR  76   4.201   5.502  -4.581
  361   1HB   TYR  76          1HB       TYR  76   2.804   5.704  -6.563
  362   2HB   TYR  76          2HB       TYR  76   3.618   7.195  -7.024
  363    HD1  TYR  76           HD1      TYR  76   5.542   7.127  -8.378
  364    HD2  TYR  76           HD2      TYR  76   4.171   3.561  -6.505
  365    HE1  TYR  76           HE1      TYR  76   7.181   5.826  -9.668
  366    HE2  TYR  76           HE2      TYR  76   5.807   2.252  -7.787
  367    HH   TYR  76           HH       TYR  76   7.083   2.473  -9.939
  368    H    GLY  77           H        GLY  77   4.736   8.906  -5.337
  369   1HA   GLY  77          1HA       GLY  77   7.497   8.791  -5.841
  370   2HA   GLY  77          2HA       GLY  77   6.631  10.201  -5.247
  371    H    LYS  78           H        LYS  78   5.724   9.133  -2.803
  372    HA   LYS  78           HA       LYS  78   8.078   9.475  -1.219
  373   1HB   LYS  78          1HB       LYS  78   5.279   8.686  -0.380
  374   2HB   LYS  78          2HB       LYS  78   6.567   9.196   0.702
  375   1HG   LYS  78          1HG       LYS  78   5.228  10.865  -1.413
  376   2HG   LYS  78          2HG       LYS  78   5.061  11.028   0.336
  377   1HD   LYS  78          1HD       LYS  78   7.385  11.645   0.545
  378   2HD   LYS  78          2HD       LYS  78   7.648  11.356  -1.175
  379   1HE   LYS  78          1HE       LYS  78   6.054  13.155  -1.697
  380   2HE   LYS  78          2HE       LYS  78   5.855  13.459   0.028
  381   1HZ   LYS  78          1HZ       LYS  78   8.373  13.744  -1.523
  382   2HZ   LYS  78          2HZ       LYS  78   8.232  13.975   0.151
  383   3HZ   LYS  78          3HZ       LYS  78   7.419  15.011  -0.919
  384    H    PHE  79           H        PHE  79   6.221   6.797  -2.365
  385    HA   PHE  79           HA       PHE  79   7.340   4.764  -0.746
  386   1HB   PHE  79          1HB       PHE  79   5.324   4.359  -2.007
  387   2HB   PHE  79          2HB       PHE  79   6.143   4.722  -3.522
  388    HD1  PHE  79           HD1      PHE  79   6.379   2.394  -0.623
  389    HD2  PHE  79           HD2      PHE  79   6.895   2.990  -4.802
  390    HE1  PHE  79           HE1      PHE  79   6.909   0.007  -0.896
  391    HE2  PHE  79           HE2      PHE  79   7.426   0.611  -5.083
  392    HZ   PHE  79           HZ       PHE  79   7.521  -0.863  -3.082
  393    H    LYS  80           H        LYS  80   8.368   6.363  -3.671
  394    HA   LYS  80           HA       LYS  80  10.540   4.503  -4.114
  395   1HB   LYS  80          1HB       LYS  80   9.913   7.092  -5.547
  396   2HB   LYS  80          2HB       LYS  80  11.080   5.881  -6.061
  397   1HG   LYS  80          1HG       LYS  80   8.095   5.519  -5.872
  398   2HG   LYS  80          2HG       LYS  80   9.044   5.685  -7.349
  399   1HD   LYS  80          1HD       LYS  80   9.488   3.471  -5.356
  400   2HD   LYS  80          2HD       LYS  80   8.362   3.330  -6.708
  401   1HE   LYS  80          1HE       LYS  80  11.294   3.969  -6.988
  402   2HE   LYS  80          2HE       LYS  80  10.611   2.352  -7.142
  403   1HZ   LYS  80          1HZ       LYS  80  10.028   4.700  -8.876
  404   2HZ   LYS  80          2HZ       LYS  80   9.225   3.213  -8.983
  405   3HZ   LYS  80          3HZ       LYS  80  10.885   3.300  -9.309
  406    H    GLU  81           H        GLU  81  10.030   7.327  -2.318
  407    HA   GLU  81           HA       GLU  81  12.476   8.640  -2.344
  408   1HB   GLU  81          1HB       GLU  81  10.519   8.172  -0.095
  409   2HB   GLU  81          2HB       GLU  81  11.925   9.209   0.071
  410   1HG   GLU  81          1HG       GLU  81   9.870   9.636  -2.068
  411   2HG   GLU  81          2HG       GLU  81   9.707  10.317  -0.450
  412    H    GLY  82           H        GLY  82  11.446   5.968  -0.233
  413   1HA   GLY  82          1HA       GLY  82  13.980   5.770   1.073
  414   2HA   GLY  82          2HA       GLY  82  12.659   4.616   1.186
  415    H    VAL  83           H        VAL  83  12.490   4.164  -1.648
  416    HA   VAL  83           HA       VAL  83  14.300   2.041  -1.958
  417    HB   VAL  83           HB       VAL  83  13.018   3.559  -4.036
  418   1HG1  VAL  83          1HG1      VAL  83  14.697   1.951  -4.781
  419   2HG1  VAL  83          2HG1      VAL  83  13.073   1.393  -5.174
  420   3HG1  VAL  83          3HG1      VAL  83  13.937   0.694  -3.805
  421   1HG2  VAL  83          1HG2      VAL  83  11.944   1.346  -2.307
  422   2HG2  VAL  83          2HG2      VAL  83  11.163   2.001  -3.746
  423   3HG2  VAL  83          3HG2      VAL  83  11.393   3.022  -2.326
  424    H    ALA  84           H        ALA  84  14.246   5.270  -3.451
  425    HA   ALA  84           HA       ALA  84  16.571   4.911  -5.013
  426   1HB   ALA  84          1HB       ALA  84  15.347   7.492  -4.049
  427   2HB   ALA  84          2HB       ALA  84  14.859   6.602  -5.492
  428   3HB   ALA  84          3HB       ALA  84  16.473   7.305  -5.391
  429    H    SER  85           H        SER  85  16.155   5.666  -1.679
  430    HA   SER  85           HA       SER  85  18.901   6.625  -1.462
  431   1HB   SER  85          1HB       SER  85  18.192   6.941   0.998
  432   2HB   SER  85          2HB       SER  85  17.474   8.006  -0.210
  433    HG   SER  85           HG       SER  85  15.580   6.951  -0.057
  434    H    GLY  86           H        GLY  86  17.015   4.525   0.703
  435   1HA   GLY  86          1HA       GLY  86  18.716   2.261   0.323
  436   2HA   GLY  86          2HA       GLY  86  19.139   3.141   1.789
  437    H    ASN  87           H        ASN  87  17.438   3.509   3.356
  438    HA   ASN  87           HA       ASN  87  15.637   1.209   3.477
  439   1HB   ASN  87          1HB       ASN  87  15.470   1.550   5.804
  440   2HB   ASN  87          2HB       ASN  87  17.155   1.898   5.442
  441   1HD2  ASN  87          1HD2      ASN  87  17.899   4.017   5.576
  442   2HD2  ASN  87          2HD2      ASN  87  16.991   5.264   6.368
  443    H    LEU  88           H        LEU  88  13.423   1.425   3.677
  444    HA   LEU  88           HA       LEU  88  12.363   4.122   3.246
  445   1HB   LEU  88          1HB       LEU  88  12.085   2.852   1.235
  446   2HB   LEU  88          2HB       LEU  88  11.446   1.484   2.123
  447    HG   LEU  88           HG       LEU  88   9.441   2.803   2.691
  448   1HD1  LEU  88          1HD1      LEU  88   9.019   4.919   1.543
  449   2HD1  LEU  88          2HD1      LEU  88  10.651   4.883   0.874
  450   3HD1  LEU  88          3HD1      LEU  88  10.415   5.037   2.616
  451   1HD2  LEU  88          1HD2      LEU  88   8.448   2.744   0.477
  452   2HD2  LEU  88          2HD2      LEU  88   9.487   1.341   0.727
  453   3HD2  LEU  88          3HD2      LEU  88  10.050   2.691  -0.257
  454    H    ASN  89           H        ASN  89  11.697   4.685   5.207
  455    HA   ASN  89           HA       ASN  89   9.522   3.165   6.407
  456   1HB   ASN  89          1HB       ASN  89  11.939   3.954   8.060
  457   2HB   ASN  89          2HB       ASN  89  10.466   3.204   8.655
  458   1HD2  ASN  89          1HD2      ASN  89  13.509   2.723   7.144
  459   2HD2  ASN  89          2HD2      ASN  89  13.456   0.995   7.101
  460    H    THR  90           H        THR  90   8.119   4.753   6.058
  461    HA   THR  90           HA       THR  90   8.471   7.170   7.600
  462    HB   THR  90           HB       THR  90   9.440   7.540   5.532
  463    HG1  THR  90           HG1      THR  90   8.590   9.535   5.545
  464   1HG2  THR  90          1HG2      THR  90   7.989   7.838   3.585
  465   2HG2  THR  90          2HG2      THR  90   6.641   7.146   4.488
  466   3HG2  THR  90          3HG2      THR  90   8.049   6.156   4.106
  467    H    MET  91           H        MET  91   6.486   8.498   7.533
  468    HA   MET  91           HA       MET  91   4.068   6.934   6.963
  469   1HB   MET  91          1HB       MET  91   3.060   7.659   9.085
  470   2HB   MET  91          2HB       MET  91   4.502   6.693   9.356
  471   1HG   MET  91          1HG       MET  91   5.786   8.685   9.832
  472   2HG   MET  91          2HG       MET  91   4.387   9.697   9.475
  473   1HE   MET  91          1HE       MET  91   4.471   6.253  11.433
  474   2HE   MET  91          2HE       MET  91   4.676   6.835  13.086
  475   3HE   MET  91          3HE       MET  91   5.962   7.072  11.904
  476    H    PHE  92           H        PHE  92   2.570   8.077   5.891
  477    HA   PHE  92           HA       PHE  92   2.417  10.962   6.213
  478   1HB   PHE  92          1HB       PHE  92   2.430  11.372   3.770
  479   2HB   PHE  92          2HB       PHE  92   3.975  10.776   4.361
  480    HD1  PHE  92           HD1      PHE  92   1.140  10.143   2.196
  481    HD2  PHE  92           HD2      PHE  92   4.679   8.469   3.862
  482    HE1  PHE  92           HE1      PHE  92   1.082   8.352   0.512
  483    HE2  PHE  92           HE2      PHE  92   4.626   6.676   2.183
  484    HZ   PHE  92           HZ       PHE  92   2.858   6.661   0.455
  485    H    GLU  93           H        GLU  93   0.460  11.830   5.006
  486    HA   GLU  93           HA       GLU  93  -1.681   9.836   5.300
  487   1HB   GLU  93          1HB       GLU  93  -1.685  12.822   5.754
  488   2HB   GLU  93          2HB       GLU  93  -3.142  11.832   5.762
  489   1HG   GLU  93          1HG       GLU  93  -2.576  10.763   7.712
  490   2HG   GLU  93          2HG       GLU  93  -0.854  11.069   7.504
  491    H    TYR  94           H        TYR  94  -2.764   9.270   3.571
  492    HA   TYR  94           HA       TYR  94  -2.857  11.080   1.257
  493   1HB   TYR  94          1HB       TYR  94  -1.070   9.340   0.976
  494   2HB   TYR  94          2HB       TYR  94  -2.313   8.103   1.105
  495    HD1  TYR  94           HD1      TYR  94  -3.152   7.233  -0.862
  496    HD2  TYR  94           HD2      TYR  94  -1.576  11.183  -0.893
  497    HE1  TYR  94           HE1      TYR  94  -3.506   7.346  -3.292
  498    HE2  TYR  94           HE2      TYR  94  -1.932  11.309  -3.325
  499    HH   TYR  94           HH       TYR  94  -3.794   9.011  -5.042
  500    H    THR  95           H        THR  95  -4.659  10.692  -0.170
  501    HA   THR  95           HA       THR  95  -6.927   9.485   1.250
  502    HB   THR  95           HB       THR  95  -6.992  11.219  -1.029
  503    HG1  THR  95           HG1      THR  95  -6.047  11.710   1.445
  504   1HG2  THR  95          1HG2      THR  95  -8.903  10.596   1.215
  505   2HG2  THR  95          2HG2      THR  95  -9.058  10.066  -0.460
  506   3HG2  THR  95          3HG2      THR  95  -9.167  11.781  -0.062
  507    H    PHE  96           H        PHE  96  -8.318   8.062   0.185
  508    HA   PHE  96           HA       PHE  96  -7.417   7.084  -2.450
  509   1HB   PHE  96          1HB       PHE  96  -8.368   5.460  -0.081
  510   2HB   PHE  96          2HB       PHE  96  -8.137   4.809  -1.699
  511    HD1  PHE  96           HD1      PHE  96  -5.845   4.735  -2.677
  512    HD2  PHE  96           HD2      PHE  96  -6.553   5.784   1.387
  513    HE1  PHE  96           HE1      PHE  96  -3.483   4.296  -2.156
  514    HE2  PHE  96           HE2      PHE  96  -4.187   5.350   1.914
  515    HZ   PHE  96           HZ       PHE  96  -2.652   4.588   0.132
  516    H    ASP  97           H        ASP  97  -8.947   7.877  -3.771
  517    HA   ASP  97           HA       ASP  97 -11.697   7.064  -3.204
  518   1HB   ASP  97          1HB       ASP  97 -12.571   9.200  -4.029
  519   2HB   ASP  97          2HB       ASP  97 -11.570   9.424  -2.602
  520    H    TYR  98           H        TYR  98 -12.318   5.767  -4.687
  521    HA   TYR  98           HA       TYR  98 -12.481   6.304  -7.418
  522   1HB   TYR  98          1HB       TYR  98 -10.087   6.029  -7.590
  523   2HB   TYR  98          2HB       TYR  98 -10.140   4.539  -6.655
  524    HD1  TYR  98           HD1      TYR  98 -10.095   2.528  -7.783
  525    HD2  TYR  98           HD2      TYR  98 -11.508   5.982  -9.824
  526    HE1  TYR  98           HE1      TYR  98 -10.299   1.214  -9.850
  527    HE2  TYR  98           HE2      TYR  98 -11.714   4.678 -11.900
  528    HH   TYR  98           HH       TYR  98 -11.443   1.236 -11.943
  529    H    GLN  99           H        GLN  99 -11.460   3.282  -5.885
  530    HA   GLN  99           HA       GLN  99 -14.053   2.115  -6.513
  531   1HB   GLN  99          1HB       GLN  99 -13.004  -0.024  -5.748
  532   2HB   GLN  99          2HB       GLN  99 -12.196   0.723  -7.115
  533   1HG   GLN  99          1HG       GLN  99 -10.458   1.573  -5.642
  534   2HG   GLN  99          2HG       GLN  99 -11.281   0.864  -4.252
  535   1HE2  GLN  99          1HE2      GLN  99  -9.422   0.228  -7.118
  536   2HE2  GLN  99          2HE2      GLN  99  -9.034  -1.410  -6.743
  537    H    MET 100           H        MET 100 -11.984   2.889  -3.765
  538    HA   MET 100           HA       MET 100 -14.246   2.538  -1.953
  539   1HB   MET 100          1HB       MET 100 -11.935   1.906  -1.208
  540   2HB   MET 100          2HB       MET 100 -11.474   3.599  -1.350
  541   1HG   MET 100          1HG       MET 100 -13.085   4.209   0.356
  542   2HG   MET 100          2HG       MET 100 -13.623   2.535   0.473
  543   1HE   MET 100          1HE       MET 100 -12.182   0.579   1.507
  544   2HE   MET 100          2HE       MET 100 -10.501   0.762   2.009
  545   3HE   MET 100          3HE       MET 100 -10.933   0.903   0.305
  546    H    THR 101           H        THR 101 -15.340   4.263  -1.051
  547    HA   THR 101           HA       THR 101 -15.318   6.728  -2.412
  548    HB   THR 101           HB       THR 101 -16.355   7.375  -0.223
  549    HG1  THR 101           HG1      THR 101 -17.047   4.654  -0.283
  550   1HG2  THR 101          1HG2      THR 101 -17.521   5.583  -2.343
  551   2HG2  THR 101          2HG2      THR 101 -17.396   7.340  -2.416
  552   3HG2  THR 101          3HG2      THR 101 -18.443   6.580  -1.218
  553    HA   PRO 102           HA       PRO 102 -12.061   9.089  -0.928
  554   1HB   PRO 102          1HB       PRO 102 -13.884  11.110   0.273
  555   2HB   PRO 102          2HB       PRO 102 -12.587  11.320  -0.907
  556   1HG   PRO 102          1HG       PRO 102 -15.124  11.396  -1.672
  557   2HG   PRO 102          2HG       PRO 102 -13.902  10.585  -2.672
  558   1HD   PRO 102          1HD       PRO 102 -15.963   9.400  -0.858
  559   2HD   PRO 102          2HD       PRO 102 -15.392   8.839  -2.440
  560    H    THR 103           H        THR 103 -11.618   7.401   0.740
  561    HA   THR 103           HA       THR 103 -11.872   8.542   3.433
  562    HB   THR 103           HB       THR 103 -10.784   6.577   4.087
  563    HG1  THR 103           HG1      THR 103 -11.312   5.009   2.096
  564   1HG2  THR 103          1HG2      THR 103 -13.186   6.889   4.247
  565   2HG2  THR 103          2HG2      THR 103 -12.800   5.228   3.793
  566   3HG2  THR 103          3HG2      THR 103 -13.377   6.365   2.574
  567    H    LYS 104           H        LYS 104 -10.036   9.034   4.692
  568    HA   LYS 104           HA       LYS 104  -7.516   9.130   3.172
  569   1HB   LYS 104          1HB       LYS 104  -8.519  11.382   3.515
  570   2HB   LYS 104          2HB       LYS 104  -8.426  11.128   5.253
  571   1HG   LYS 104          1HG       LYS 104  -6.020  11.026   5.158
  572   2HG   LYS 104          2HG       LYS 104  -6.053  11.127   3.397
  573   1HD   LYS 104          1HD       LYS 104  -5.503  13.289   4.265
  574   2HD   LYS 104          2HD       LYS 104  -7.140  13.356   3.614
  575   1HE   LYS 104          1HE       LYS 104  -8.040  13.087   5.883
  576   2HE   LYS 104          2HE       LYS 104  -6.395  13.062   6.523
  577   1HZ   LYS 104          1HZ       LYS 104  -7.733  15.319   5.131
  578   2HZ   LYS 104          2HZ       LYS 104  -6.094  15.309   5.571
  579   3HZ   LYS 104          3HZ       LYS 104  -7.290  15.249   6.766
  580    H    VAL 105           H        VAL 105  -5.792   8.229   4.090
  581    HA   VAL 105           HA       VAL 105  -6.061   7.398   6.900
  582    HB   VAL 105           HB       VAL 105  -4.813   5.555   6.426
  583   1HG1  VAL 105          1HG1      VAL 105  -6.599   4.353   5.257
  584   2HG1  VAL 105          2HG1      VAL 105  -7.307   5.892   4.766
  585   3HG1  VAL 105          3HG1      VAL 105  -7.243   5.456   6.474
  586   1HG2  VAL 105          1HG2      VAL 105  -4.487   4.837   4.117
  587   2HG2  VAL 105          2HG2      VAL 105  -3.582   6.306   4.481
  588   3HG2  VAL 105          3HG2      VAL 105  -5.077   6.400   3.551
  589    H    LYS 106           H        LYS 106  -4.049   6.967   7.995
  590    HA   LYS 106           HA       LYS 106  -1.771   8.526   6.986
  591   1HB   LYS 106          1HB       LYS 106  -2.696   8.984   9.302
  592   2HB   LYS 106          2HB       LYS 106  -2.224   7.351   9.745
  593   1HG   LYS 106          1HG       LYS 106   0.127   7.947   9.210
  594   2HG   LYS 106          2HG       LYS 106  -0.405   9.610   8.942
  595   1HD   LYS 106          1HD       LYS 106  -1.335   9.595  11.269
  596   2HD   LYS 106          2HD       LYS 106  -0.564   8.025  11.503
  597   1HE   LYS 106          1HE       LYS 106   0.870   9.706  12.420
  598   2HE   LYS 106          2HE       LYS 106   1.617   9.091  10.947
  599   1HZ   LYS 106          1HZ       LYS 106   0.904  11.024   9.758
  600   2HZ   LYS 106          2HZ       LYS 106   1.698  11.538  11.166
  601   3HZ   LYS 106          3HZ       LYS 106   0.005  11.583  11.086
  602    H    VAL 107           H        VAL 107  -0.248   7.269   5.953
  603    HA   VAL 107           HA       VAL 107  -0.523   4.401   6.425
  604    HB   VAL 107           HB       VAL 107  -1.121   5.150   4.363
  605   1HG1  VAL 107          1HG1      VAL 107   0.316   7.089   4.116
  606   2HG1  VAL 107          2HG1      VAL 107   0.582   5.953   2.791
  607   3HG1  VAL 107          3HG1      VAL 107   1.743   6.054   4.115
  608   1HG2  VAL 107          1HG2      VAL 107  -0.276   2.920   4.674
  609   2HG2  VAL 107          2HG2      VAL 107   1.375   3.493   4.441
  610   3HG2  VAL 107          3HG2      VAL 107   0.222   3.565   3.110
  611    H    HIS 108           H        HIS 108   1.183   3.205   6.899
  612    HA   HIS 108           HA       HIS 108   3.688   4.671   7.386
  613   1HB   HIS 108          1HB       HIS 108   2.375   3.733   9.375
  614   2HB   HIS 108          2HB       HIS 108   2.785   2.132   8.771
  615    HD1  HIS 108           HD1      HIS 108   3.886   2.153  11.305
  616    HD2  HIS 108           HD2      HIS 108   5.812   4.340   8.332
  617    HE1  HIS 108           HE1      HIS 108   6.227   2.544  12.150
  618    HE2  HIS 108           HE2      HIS 108   7.284   4.068  10.445
  619    H    MET 109           H        MET 109   5.128   4.200   5.940
  620    HA   MET 109           HA       MET 109   5.080   1.589   4.586
  621   1HB   MET 109          1HB       MET 109   5.078   3.682   3.225
  622   2HB   MET 109          2HB       MET 109   6.636   4.105   3.917
  623   1HG   MET 109          1HG       MET 109   6.976   3.204   1.732
  624   2HG   MET 109          2HG       MET 109   7.584   2.050   2.921
  625   1HE   MET 109          1HE       MET 109   4.871   2.893   0.289
  626   2HE   MET 109          2HE       MET 109   3.879   2.805   1.746
  627   3HE   MET 109          3HE       MET 109   3.704   1.584   0.486
  628    H    LYS 110           H        LYS 110   6.760   0.133   4.774
  629    HA   LYS 110           HA       LYS 110   9.024   0.902   6.511
  630   1HB   LYS 110          1HB       LYS 110   7.222  -1.513   6.888
  631   2HB   LYS 110          2HB       LYS 110   8.738  -1.262   7.739
  632   1HG   LYS 110          1HG       LYS 110   6.451   0.673   7.908
  633   2HG   LYS 110          2HG       LYS 110   6.618  -0.709   8.992
  634   1HD   LYS 110          1HD       LYS 110   8.639   1.500   8.620
  635   2HD   LYS 110          2HD       LYS 110   7.529   1.338   9.982
  636   1HE   LYS 110          1HE       LYS 110   9.742  -0.563   9.211
  637   2HE   LYS 110          2HE       LYS 110   9.715   0.514  10.605
  638   1HZ   LYS 110          1HZ       LYS 110   8.077  -1.908  10.130
  639   2HZ   LYS 110          2HZ       LYS 110   7.655  -0.757  11.299
  640   3HZ   LYS 110          3HZ       LYS 110   9.129  -1.583  11.423
  641    H    LYS 111           H        LYS 111  10.810  -0.740   6.332
  642    HA   LYS 111           HA       LYS 111  10.756  -1.835   3.607
  643   1HB   LYS 111          1HB       LYS 111  12.453  -0.123   4.071
  644   2HB   LYS 111          2HB       LYS 111  13.110  -1.114   5.364
  645   1HG   LYS 111          1HG       LYS 111  13.712  -2.835   3.736
  646   2HG   LYS 111          2HG       LYS 111  13.063  -1.825   2.439
  647   1HD   LYS 111          1HD       LYS 111  14.695  -0.107   2.912
  648   2HD   LYS 111          2HD       LYS 111  15.291  -1.013   4.303
  649   1HE   LYS 111          1HE       LYS 111  16.802  -1.347   2.482
  650   2HE   LYS 111          2HE       LYS 111  15.923  -2.849   2.762
  651   1HZ   LYS 111          1HZ       LYS 111  15.203  -0.863   0.678
  652   2HZ   LYS 111          2HZ       LYS 111  14.533  -2.409   0.885
  653   3HZ   LYS 111          3HZ       LYS 111  16.150  -2.239   0.391
  654    H    ALA 112           H        ALA 112  10.585  -3.920   3.357
  655    HA   ALA 112           HA       ALA 112  11.504  -5.714   5.498
  656   1HB   ALA 112          1HB       ALA 112  10.022  -7.397   4.534
  657   2HB   ALA 112          2HB       ALA 112   9.560  -6.273   3.256
  658   3HB   ALA 112          3HB       ALA 112   9.124  -5.932   4.931
  659    H    LEU 113           H        LEU 113  13.614  -6.093   5.025
  660    HA   LEU 113           HA       LEU 113  14.551  -6.320   2.330
  661   1HB   LEU 113          1HB       LEU 113  15.914  -5.531   4.299
  662   2HB   LEU 113          2HB       LEU 113  15.964  -7.195   4.848
  663    HG   LEU 113           HG       LEU 113  17.202  -7.856   2.858
  664   1HD1  LEU 113          1HD1      LEU 113  17.954  -6.204   1.232
  665   2HD1  LEU 113          2HD1      LEU 113  17.042  -4.950   2.069
  666   3HD1  LEU 113          3HD1      LEU 113  16.194  -6.280   1.282
  667   1HD2  LEU 113          1HD2      LEU 113  19.273  -6.617   3.285
  668   2HD2  LEU 113          2HD2      LEU 113  18.465  -7.068   4.785
  669   3HD2  LEU 113          3HD2      LEU 113  18.362  -5.409   4.191
  670    H    SER 114           H        SER 114  13.175  -8.435   4.628
  671    HA   SER 114           HA       SER 114  14.042 -10.893   3.470
  672   1HB   SER 114          1HB       SER 114  11.554 -10.360   5.116
  673   2HB   SER 114          2HB       SER 114  12.346 -11.917   4.867
  674    HG   SER 114           HG       SER 114  14.216 -10.328   5.787
  675    H    GLY 115           H        GLY 115  13.702 -10.409   1.211
  676   1HA   GLY 115          1HA       GLY 115  12.208 -11.423  -0.456
  677   2HA   GLY 115          2HA       GLY 115  10.869 -10.717   0.436
  678    H    ASP 116           H        ASP 116  13.432  -8.584   0.383
  679    HA   ASP 116           HA       ASP 116  13.878  -6.636  -0.702
  680   1HB   ASP 116          1HB       ASP 116  13.080  -8.352  -3.058
  681   2HB   ASP 116          2HB       ASP 116  13.743  -6.732  -3.230
  682    H    SER 117           H        SER 117  11.389  -6.628   0.512
  683    HA   SER 117           HA       SER 117   9.860  -4.960  -1.298
  684   1HB   SER 117          1HB       SER 117   7.805  -6.131  -0.034
  685   2HB   SER 117          2HB       SER 117   8.477  -6.766  -1.540
  686    HG   SER 117           HG       SER 117   9.576  -8.298  -0.408
  687    H    TYR 118           H        TYR 118   7.744  -4.317   0.424
  688    HA   TYR 118           HA       TYR 118   9.056  -3.161   2.764
  689   1HB   TYR 118          1HB       TYR 118   7.258  -1.712   0.786
  690   2HB   TYR 118          2HB       TYR 118   7.973  -1.020   2.244
  691    HD1  TYR 118           HD1      TYR 118   8.466  -1.826  -1.213
  692    HD2  TYR 118           HD2      TYR 118  10.454  -0.815   2.399
  693    HE1  TYR 118           HE1      TYR 118  10.439  -1.135  -2.512
  694    HE2  TYR 118           HE2      TYR 118  12.446  -0.124   1.116
  695    HH   TYR 118           HH       TYR 118  13.459  -0.499  -1.068
  696    H    TRP 119           H        TRP 119   7.566  -2.666   4.440
  697    HA   TRP 119           HA       TRP 119   5.045  -4.162   4.252
  698   1HB   TRP 119          1HB       TRP 119   6.854  -3.438   6.524
  699   2HB   TRP 119          2HB       TRP 119   5.135  -3.614   6.848
  700    HD1  TRP 119           HD1      TRP 119   8.268  -5.605   6.274
  701    HE1  TRP 119           HE1      TRP 119   7.745  -8.117   6.519
  702    HE3  TRP 119           HE3      TRP 119   3.173  -5.349   6.377
  703    HZ2  TRP 119           HZ2      TRP 119   5.465  -9.759   6.737
  704    HZ3  TRP 119           HZ3      TRP 119   1.890  -7.433   6.613
  705    HH2  TRP 119           HH2      TRP 119   3.014  -9.594   6.787
  706    H    VAL 120           H        VAL 120   3.585  -2.760   3.412
  707    HA   VAL 120           HA       VAL 120   3.472  -0.122   4.683
  708    HB   VAL 120           HB       VAL 120   3.525  -0.292   2.401
  709   1HG1  VAL 120          1HG1      VAL 120   1.511  -0.966   1.183
  710   2HG1  VAL 120          2HG1      VAL 120   0.807  -1.565   2.685
  711   3HG1  VAL 120          3HG1      VAL 120   2.256  -2.326   2.027
  712   1HG2  VAL 120          1HG2      VAL 120   1.047   0.870   3.639
  713   2HG2  VAL 120          2HG2      VAL 120   1.677   1.279   2.043
  714   3HG2  VAL 120          3HG2      VAL 120   2.623   1.646   3.487
  715    H    PHE 121           H        PHE 121   2.077   0.413   6.131
  716    HA   PHE 121           HA       PHE 121  -0.308  -1.268   6.584
  717   1HB   PHE 121          1HB       PHE 121   1.219   0.269   8.700
  718   2HB   PHE 121          2HB       PHE 121  -0.094  -0.870   8.959
  719    HD1  PHE 121           HD1      PHE 121   3.448  -0.433   8.569
  720    HD2  PHE 121           HD2      PHE 121   0.309  -3.302   8.552
  721    HE1  PHE 121           HE1      PHE 121   5.093  -2.226   8.918
  722    HE2  PHE 121           HE2      PHE 121   1.949  -5.102   8.903
  723    HZ   PHE 121           HZ       PHE 121   4.345  -4.563   9.088
  724    H    VAL 122           H        VAL 122  -2.234  -0.150   6.765
  725    HA   VAL 122           HA       VAL 122  -1.984   2.769   6.619
  726    HB   VAL 122           HB       VAL 122  -4.158   2.829   5.946
  727   1HG1  VAL 122          1HG1      VAL 122  -2.308   1.058   4.360
  728   2HG1  VAL 122          2HG1      VAL 122  -2.324   2.822   4.361
  729   3HG1  VAL 122          3HG1      VAL 122  -3.699   1.926   3.712
  730   1HG2  VAL 122          1HG2      VAL 122  -5.037   0.804   6.940
  731   2HG2  VAL 122          2HG2      VAL 122  -3.989  -0.173   5.912
  732   3HG2  VAL 122          3HG2      VAL 122  -5.273   0.798   5.192
  733    H    LYS 123           H        LYS 123  -2.917   4.101   8.027
  734    HA   LYS 123           HA       LYS 123  -4.581   2.928  10.158
  735   1HB   LYS 123          1HB       LYS 123  -2.442   5.049  10.305
  736   2HB   LYS 123          2HB       LYS 123  -3.681   4.901  11.541
  737   1HG   LYS 123          1HG       LYS 123  -1.915   2.605  10.769
  738   2HG   LYS 123          2HG       LYS 123  -1.455   3.784  11.999
  739   1HD   LYS 123          1HD       LYS 123  -3.991   2.151  12.052
  740   2HD   LYS 123          2HD       LYS 123  -2.517   1.741  12.933
  741   1HE   LYS 123          1HE       LYS 123  -2.662   3.822  14.184
  742   2HE   LYS 123          2HE       LYS 123  -4.086   4.299  13.262
  743   1HZ   LYS 123          1HZ       LYS 123  -4.705   3.417  15.410
  744   2HZ   LYS 123          2HZ       LYS 123  -3.898   1.960  15.087
  745   3HZ   LYS 123          3HZ       LYS 123  -5.261   2.392  14.185
  746    H    ARG 124           H        ARG 124  -6.588   3.500   9.556
  747    HA   ARG 124           HA       ARG 124  -7.106   5.946   8.164
  748   1HB   ARG 124          1HB       ARG 124  -9.498   5.267   8.358
  749   2HB   ARG 124          2HB       ARG 124  -8.465   4.058   7.613
  750   1HG   ARG 124          1HG       ARG 124  -8.364   2.904   9.835
  751   2HG   ARG 124          2HG       ARG 124  -9.594   4.037  10.400
  752   1HD   ARG 124          1HD       ARG 124  -9.846   2.088   8.112
  753   2HD   ARG 124          2HD       ARG 124 -10.640   1.978   9.683
  754    HE   ARG 124           HE       ARG 124 -11.387   4.416   8.611
  755   1HH1  ARG 124          1HH1      ARG 124 -11.741   1.027   7.808
  756   2HH1  ARG 124          2HH1      ARG 124 -13.217   1.259   6.929
  757   1HH2  ARG 124          1HH2      ARG 124 -13.326   4.728   7.439
  758   2HH2  ARG 124          2HH2      ARG 124 -14.133   3.353   6.738
  759    H    VAL 125           H        VAL 125  -7.423   7.840   8.972
  760    HA   VAL 125           HA       VAL 125  -7.049   9.415  10.583
  761    HB   VAL 125           HB       VAL 125  -9.020   9.841  11.793
  762   1HG1  VAL 125          1HG1      VAL 125 -10.128  10.526   9.704
  763   2HG1  VAL 125          2HG1      VAL 125  -9.016   9.499   8.801
  764   3HG1  VAL 125          3HG1      VAL 125  -8.402  10.881   9.707
  765   1HG2  VAL 125          1HG2      VAL 125 -10.084   7.563  10.138
  766   2HG2  VAL 125          2HG2      VAL 125 -11.043   8.730  11.049
  767   3HG2  VAL 125          3HG2      VAL 125  -9.985   7.604  11.899
  768    H2   HC4 169           H2       HC4 169  -7.598   4.108  -3.211
  769    H3   HC4 169           H3       HC4 169  -8.115   1.829  -5.054
  770    H2'  HC4 169           H2'      HC4 169  -8.230  -0.383  -3.805
  771    H3'  HC4 169           H3'      HC4 169  -8.652  -1.644  -1.739
  772    H5'  HC4 169           H5'      HC4 169  -7.927   1.894   0.516
  773    H6'  HC4 169           H6'      HC4 169  -7.754   3.181  -1.568
  Start of MODEL    6
    1    H    LEU  26           H        LEU  26 -11.556  -7.221  13.015
    2    HA   LEU  26           HA       LEU  26  -9.733  -7.692  11.662
    3   1HB   LEU  26          1HB       LEU  26  -9.196  -6.493   9.637
    4   2HB   LEU  26          2HB       LEU  26 -10.784  -7.187   9.505
    5    HG   LEU  26           HG       LEU  26 -10.808  -5.134   8.426
    6   1HD1  LEU  26          1HD1      LEU  26 -12.468  -3.804   9.633
    7   2HD1  LEU  26          2HD1      LEU  26 -12.139  -4.749  11.086
    8   3HD1  LEU  26          3HD1      LEU  26 -12.823  -5.531   9.662
    9   1HD2  LEU  26          1HD2      LEU  26  -8.838  -4.105   9.348
   10   2HD2  LEU  26          2HD2      LEU  26  -9.665  -3.845  10.884
   11   3HD2  LEU  26          3HD2      LEU  26 -10.204  -2.994   9.436
   12    H    ALA  27           H        ALA  27  -7.705  -6.310  11.440
   13    HA   ALA  27           HA       ALA  27  -7.795  -3.822  12.928
   14   1HB   ALA  27          1HB       ALA  27  -7.571  -5.515  14.686
   15   2HB   ALA  27          2HB       ALA  27  -6.118  -4.524  14.554
   16   3HB   ALA  27          3HB       ALA  27  -6.135  -6.156  13.886
   17    H    PHE  28           H        PHE  28  -6.834  -2.558  11.511
   18    HA   PHE  28           HA       PHE  28  -5.210  -1.568  10.286
   19   1HB   PHE  28          1HB       PHE  28  -3.527  -3.747  11.500
   20   2HB   PHE  28          2HB       PHE  28  -2.866  -2.608  10.334
   21    HD1  PHE  28           HD1      PHE  28  -2.526  -0.285  10.921
   22    HD2  PHE  28           HD2      PHE  28  -4.147  -3.050  13.718
   23    HE1  PHE  28           HE1      PHE  28  -2.123   1.323  12.739
   24    HE2  PHE  28           HE2      PHE  28  -3.747  -1.449  15.542
   25    HZ   PHE  28           HZ       PHE  28  -2.658   0.739  15.037
   26    H    GLY  29           H        GLY  29  -4.597  -1.555   8.196
   27   1HA   GLY  29          1HA       GLY  29  -5.040  -4.043   6.690
   28   2HA   GLY  29          2HA       GLY  29  -5.073  -2.412   6.017
   29    H    ALA  30           H        ALA  30  -3.332  -5.086   5.814
   30    HA   ALA  30           HA       ALA  30  -0.734  -3.730   6.095
   31   1HB   ALA  30          1HB       ALA  30  -1.356  -6.646   6.572
   32   2HB   ALA  30          2HB       ALA  30  -1.026  -5.440   7.815
   33   3HB   ALA  30          3HB       ALA  30   0.239  -5.901   6.679
   34    H    ILE  31           H        ILE  31  -0.211  -3.194   4.081
   35    HA   ILE  31           HA       ILE  31  -0.477  -5.256   2.003
   36    HB   ILE  31           HB       ILE  31   0.011  -2.432   1.763
   37   1HG1  ILE  31          1HG1      ILE  31  -2.528  -4.035   1.438
   38   2HG1  ILE  31          2HG1      ILE  31  -2.186  -2.921   2.759
   39   1HG2  ILE  31          1HG2      ILE  31  -0.682  -4.604  -0.218
   40   2HG2  ILE  31          2HG2      ILE  31   0.870  -3.777  -0.085
   41   3HG2  ILE  31          3HG2      ILE  31  -0.568  -2.882  -0.579
   42   1HD1  ILE  31          1HD1      ILE  31  -2.415  -2.192  -0.151
   43   2HD1  ILE  31          2HD1      ILE  31  -2.068  -1.074   1.168
   44   3HD1  ILE  31          3HD1      ILE  31  -3.625  -1.899   1.097
   45    H    GLN  32           H        GLN  32   1.361  -6.321   1.682
   46    HA   GLN  32           HA       GLN  32   3.889  -4.890   2.104
   47   1HB   GLN  32          1HB       GLN  32   3.710  -7.024   3.300
   48   2HB   GLN  32          2HB       GLN  32   3.364  -7.857   1.789
   49   1HG   GLN  32          1HG       GLN  32   5.596  -7.167   0.956
   50   2HG   GLN  32          2HG       GLN  32   5.934  -6.476   2.540
   51   1HE2  GLN  32          1HE2      GLN  32   7.689  -7.847   2.814
   52   2HE2  GLN  32          2HE2      GLN  32   7.490  -9.520   3.184
   53    H    LEU  33           H        LEU  33   4.740  -4.017   0.358
   54    HA   LEU  33           HA       LEU  33   4.490  -5.487  -2.133
   55   1HB   LEU  33          1HB       LEU  33   4.189  -3.387  -3.398
   56   2HB   LEU  33          2HB       LEU  33   2.837  -3.790  -2.362
   57    HG   LEU  33           HG       LEU  33   4.919  -1.839  -1.432
   58   1HD1  LEU  33          1HD1      LEU  33   4.193  -1.081  -3.644
   59   2HD1  LEU  33          2HD1      LEU  33   3.568  -0.035  -2.370
   60   3HD1  LEU  33          3HD1      LEU  33   2.509  -1.218  -3.138
   61   1HD2  LEU  33          1HD2      LEU  33   1.975  -2.188  -0.873
   62   2HD2  LEU  33          2HD2      LEU  33   3.012  -0.942  -0.177
   63   3HD2  LEU  33          3HD2      LEU  33   3.300  -2.638   0.200
   64    H    ASP  34           H        ASP  34   6.064  -4.812  -3.787
   65    HA   ASP  34           HA       ASP  34   8.627  -4.304  -2.432
   66   1HB   ASP  34          1HB       ASP  34   9.686  -5.704  -3.926
   67   2HB   ASP  34          2HB       ASP  34   8.107  -6.469  -3.814
   68    H    GLY  35           H        GLY  35  10.339  -3.354  -3.995
   69   1HA   GLY  35          1HA       GLY  35   9.718  -0.668  -4.286
   70   2HA   GLY  35          2HA       GLY  35  11.105  -1.456  -5.009
   71    H    ASP  36           H        ASP  36   9.213  -3.211  -6.625
   72    HA   ASP  36           HA       ASP  36   8.865  -1.324  -8.797
   73   1HB   ASP  36          1HB       ASP  36   8.853  -4.274  -8.546
   74   2HB   ASP  36          2HB       ASP  36   7.828  -3.597  -9.808
   75    H    GLY  37           H        GLY  37   6.857  -3.246  -6.644
   76   1HA   GLY  37          1HA       GLY  37   4.841  -1.883  -5.984
   77   2HA   GLY  37          2HA       GLY  37   4.523  -1.787  -7.707
   78    H    ASN  38           H        ASN  38   5.817  -4.807  -6.807
   79    HA   ASN  38           HA       ASN  38   3.346  -6.126  -7.416
   80   1HB   ASN  38          1HB       ASN  38   5.946  -7.193  -6.306
   81   2HB   ASN  38          2HB       ASN  38   4.554  -8.206  -6.666
   82   1HD2  ASN  38          1HD2      ASN  38   7.204  -6.451  -7.915
   83   2HD2  ASN  38          2HD2      ASN  38   7.044  -6.984  -9.557
   84    H    ILE  39           H        ILE  39   1.756  -6.593  -6.087
   85    HA   ILE  39           HA       ILE  39   2.057  -6.094  -3.265
   86    HB   ILE  39           HB       ILE  39  -0.100  -7.427  -4.616
   87   1HG1  ILE  39          1HG1      ILE  39   0.370  -4.463  -4.300
   88   2HG1  ILE  39          2HG1      ILE  39   0.471  -5.355  -5.816
   89   1HG2  ILE  39          1HG2      ILE  39   0.130  -5.721  -2.126
   90   2HG2  ILE  39          2HG2      ILE  39  -0.113  -7.469  -2.170
   91   3HG2  ILE  39          3HG2      ILE  39  -1.370  -6.390  -2.776
   92   1HD1  ILE  39          1HD1      ILE  39  -1.648  -4.194  -5.622
   93   2HD1  ILE  39          2HD1      ILE  39  -1.992  -5.043  -4.115
   94   3HD1  ILE  39          3HD1      ILE  39  -1.889  -5.941  -5.630
   95    H    LEU  40           H        LEU  40   1.788  -7.685  -1.636
   96    HA   LEU  40           HA       LEU  40   2.080 -10.480  -2.508
   97   1HB   LEU  40          1HB       LEU  40   3.467  -9.144  -0.192
   98   2HB   LEU  40          2HB       LEU  40   3.622 -10.835  -0.638
   99    HG   LEU  40           HG       LEU  40   4.597  -8.466  -2.241
  100   1HD1  LEU  40          1HD1      LEU  40   6.075 -10.665  -0.806
  101   2HD1  LEU  40          2HD1      LEU  40   5.983  -8.974  -0.310
  102   3HD1  LEU  40          3HD1      LEU  40   6.809  -9.412  -1.805
  103   1HD2  LEU  40          1HD2      LEU  40   3.751 -10.239  -3.701
  104   2HD2  LEU  40          2HD2      LEU  40   4.778 -11.411  -2.868
  105   3HD2  LEU  40          3HD2      LEU  40   5.509 -10.101  -3.798
  106    H    GLN  41           H        GLN  41   1.746  -8.662   0.521
  107    HA   GLN  41           HA       GLN  41  -0.445 -10.480   1.242
  108   1HB   GLN  41          1HB       GLN  41   1.377  -8.956   3.107
  109   2HB   GLN  41          2HB       GLN  41   0.151 -10.130   3.568
  110   1HG   GLN  41          1HG       GLN  41   1.422 -11.852   2.293
  111   2HG   GLN  41          2HG       GLN  41   2.692 -10.656   2.045
  112   1HE2  GLN  41          1HE2      GLN  41   4.233 -11.776   3.170
  113   2HE2  GLN  41          2HE2      GLN  41   4.178 -11.988   4.887
  114    H    TYR  42           H        TYR  42  -2.324  -9.675   1.876
  115    HA   TYR  42           HA       TYR  42  -2.662  -6.749   1.916
  116   1HB   TYR  42          1HB       TYR  42  -3.947  -8.806   0.392
  117   2HB   TYR  42          2HB       TYR  42  -5.144  -8.015   1.397
  118    HD1  TYR  42           HD1      TYR  42  -6.385  -6.760  -0.150
  119    HD2  TYR  42           HD2      TYR  42  -2.126  -6.511  -0.202
  120    HE1  TYR  42           HE1      TYR  42  -6.501  -4.908  -1.764
  121    HE2  TYR  42           HE2      TYR  42  -2.248  -4.669  -1.821
  122    HH   TYR  42           HH       TYR  42  -3.846  -3.818  -3.522
  123    H    ASN  43           H        ASN  43  -2.597  -9.403   3.819
  124    HA   ASN  43           HA       ASN  43  -3.363 -10.019   5.854
  125   1HB   ASN  43          1HB       ASN  43  -2.711  -7.630   6.379
  126   2HB   ASN  43          2HB       ASN  43  -4.397  -7.185   6.139
  127   1HD2  ASN  43          1HD2      ASN  43  -4.577  -6.473   8.290
  128   2HD2  ASN  43          2HD2      ASN  43  -4.665  -7.606   9.614
  129    H    ALA  44           H        ALA  44  -5.456 -10.087   7.247
  130    HA   ALA  44           HA       ALA  44  -7.608 -10.848   5.472
  131   1HB   ALA  44          1HB       ALA  44  -7.027 -12.271   7.368
  132   2HB   ALA  44          2HB       ALA  44  -8.688 -11.695   7.500
  133   3HB   ALA  44          3HB       ALA  44  -7.419 -10.962   8.483
  134    H    ALA  45           H        ALA  45  -6.735  -7.950   6.256
  135    HA   ALA  45           HA       ALA  45  -9.238  -6.950   7.355
  136   1HB   ALA  45          1HB       ALA  45  -8.098  -4.824   7.567
  137   2HB   ALA  45          2HB       ALA  45  -6.709  -5.455   6.683
  138   3HB   ALA  45          3HB       ALA  45  -7.120  -6.114   8.266
  139    H    GLU  46           H        GLU  46  -7.119  -6.002   4.638
  140    HA   GLU  46           HA       GLU  46  -8.962  -4.302   3.442
  141   1HB   GLU  46          1HB       GLU  46  -6.768  -5.859   2.063
  142   2HB   GLU  46          2HB       GLU  46  -7.575  -4.431   1.430
  143   1HG   GLU  46          1HG       GLU  46  -5.728  -4.608   3.793
  144   2HG   GLU  46          2HG       GLU  46  -5.470  -3.753   2.272
  145    HE2  GLU  46           HE2      GLU  46  -7.175  -1.643   1.875
  146    H    GLY  47           H        GLY  47  -8.358  -7.742   2.865
  147   1HA   GLY  47          1HA       GLY  47 -10.115  -7.926   0.645
  148   2HA   GLY  47          2HA       GLY  47  -9.488  -9.281   1.578
  149    H    ASP  48           H        ASP  48 -10.815  -7.558   3.929
  150    HA   ASP  48           HA       ASP  48 -13.366  -8.968   3.673
  151   1HB   ASP  48          1HB       ASP  48 -11.928  -9.222   5.747
  152   2HB   ASP  48          2HB       ASP  48 -12.327  -7.549   6.129
  153    H    ILE  49           H        ILE  49 -12.043  -5.731   4.246
  154    HA   ILE  49           HA       ILE  49 -14.688  -4.595   4.358
  155    HB   ILE  49           HB       ILE  49 -13.503  -2.581   4.446
  156   1HG1  ILE  49          1HG1      ILE  49 -11.154  -4.441   4.544
  157   2HG1  ILE  49          2HG1      ILE  49 -11.423  -3.074   3.469
  158   1HG2  ILE  49          1HG2      ILE  49 -13.028  -4.747   6.478
  159   2HG2  ILE  49          2HG2      ILE  49 -14.451  -3.712   6.360
  160   3HG2  ILE  49          3HG2      ILE  49 -12.889  -3.017   6.788
  161   1HD1  ILE  49          1HD1      ILE  49 -10.964  -2.904   6.431
  162   2HD1  ILE  49          2HD1      ILE  49 -11.234  -1.539   5.348
  163   3HD1  ILE  49          3HD1      ILE  49  -9.788  -2.533   5.170
  164    H    THR  50           H        THR  50 -11.893  -4.395   2.111
  165    HA   THR  50           HA       THR  50 -13.675  -2.991   0.249
  166    HB   THR  50           HB       THR  50 -11.675  -2.569  -0.933
  167    HG1  THR  50           HG1      THR  50  -9.829  -2.601   0.643
  168   1HG2  THR  50          1HG2      THR  50 -11.100  -0.729   0.564
  169   2HG2  THR  50          2HG2      THR  50 -12.043  -1.486   1.849
  170   3HG2  THR  50          3HG2      THR  50 -12.845  -0.910   0.388
  171    H    GLY  51           H        GLY  51 -11.175  -5.515   0.323
  172   1HA   GLY  51          1HA       GLY  51 -12.215  -7.620  -0.772
  173   2HA   GLY  51          2HA       GLY  51 -12.251  -6.579  -2.191
  174    H    ARG  52           H        ARG  52 -10.916  -8.591  -2.778
  175    HA   ARG  52           HA       ARG  52  -8.951  -9.298  -3.651
  176   1HB   ARG  52          1HB       ARG  52  -7.911  -6.663  -2.613
  177   2HB   ARG  52          2HB       ARG  52  -6.873  -7.849  -3.383
  178   1HG   ARG  52          1HG       ARG  52  -7.457  -6.235  -5.017
  179   2HG   ARG  52          2HG       ARG  52  -8.313  -7.725  -5.405
  180   1HD   ARG  52          1HD       ARG  52  -9.709  -5.709  -5.673
  181   2HD   ARG  52          2HD       ARG  52 -10.358  -6.841  -4.486
  182    HE   ARG  52           HE       ARG  52  -9.114  -5.272  -2.837
  183   1HH1  ARG  52          1HH1      ARG  52 -10.776  -4.298  -5.754
  184   2HH1  ARG  52          2HH1      ARG  52 -11.241  -2.751  -5.126
  185   1HH2  ARG  52          1HH2      ARG  52  -9.755  -3.244  -1.987
  186   2HH2  ARG  52          2HH2      ARG  52 -10.653  -2.146  -2.983
  187    H    ASP  53           H        ASP  53  -8.728 -11.094  -2.442
  188    HA   ASP  53           HA       ASP  53  -7.561 -11.160   0.141
  189   1HB   ASP  53          1HB       ASP  53  -7.691 -13.274  -2.031
  190   2HB   ASP  53          2HB       ASP  53  -7.116 -13.572  -0.396
  191    HA   PRO  54           HA       PRO  54  -3.266 -10.355  -0.619
  192   1HB   PRO  54          1HB       PRO  54  -2.190 -12.519   0.805
  193   2HB   PRO  54          2HB       PRO  54  -2.556 -10.922   1.460
  194   1HG   PRO  54          1HG       PRO  54  -4.148 -13.435   1.584
  195   2HG   PRO  54          2HG       PRO  54  -3.976 -12.148   2.792
  196   1HD   PRO  54          1HD       PRO  54  -6.196 -12.372   1.308
  197   2HD   PRO  54          2HD       PRO  54  -5.532 -10.781   1.736
  198    H    LYS  55           H        LYS  55  -4.525 -13.578  -1.045
  199    HA   LYS  55           HA       LYS  55  -2.339 -14.639  -2.536
  200   1HB   LYS  55          1HB       LYS  55  -5.222 -15.543  -2.417
  201   2HB   LYS  55          2HB       LYS  55  -3.882 -16.481  -3.056
  202   1HG   LYS  55          1HG       LYS  55  -2.900 -16.682  -0.885
  203   2HG   LYS  55          2HG       LYS  55  -4.071 -15.552  -0.201
  204   1HD   LYS  55          1HD       LYS  55  -4.758 -18.219  -1.435
  205   2HD   LYS  55          2HD       LYS  55  -4.607 -17.916   0.297
  206   1HE   LYS  55          1HE       LYS  55  -6.427 -16.323   0.213
  207   2HE   LYS  55          2HE       LYS  55  -6.539 -16.500  -1.536
  208   1HZ   LYS  55          1HZ       LYS  55  -6.971 -18.736   0.368
  209   2HZ   LYS  55          2HZ       LYS  55  -7.308 -18.719  -1.298
  210   3HZ   LYS  55          3HZ       LYS  55  -8.221 -17.761  -0.236
  211    H    GLN  56           H        GLN  56  -4.881 -12.512  -3.347
  212    HA   GLN  56           HA       GLN  56  -5.039 -13.425  -6.117
  213   1HB   GLN  56          1HB       GLN  56  -6.640 -11.278  -4.720
  214   2HB   GLN  56          2HB       GLN  56  -6.975 -11.968  -6.300
  215   1HG   GLN  56          1HG       GLN  56  -6.995 -13.561  -3.750
  216   2HG   GLN  56          2HG       GLN  56  -8.421 -12.791  -4.437
  217   1HE2  GLN  56          1HE2      GLN  56  -9.450 -14.770  -4.665
  218   2HE2  GLN  56          2HE2      GLN  56  -9.017 -15.899  -5.904
  219    H    VAL  57           H        VAL  57  -3.370 -11.097  -4.297
  220    HA   VAL  57           HA       VAL  57  -3.148  -9.314  -6.628
  221    HB   VAL  57           HB       VAL  57  -2.228  -7.791  -5.033
  222   1HG1  VAL  57          1HG1      VAL  57  -5.126  -8.660  -4.939
  223   2HG1  VAL  57          2HG1      VAL  57  -4.405  -7.591  -6.143
  224   3HG1  VAL  57          3HG1      VAL  57  -4.509  -7.079  -4.458
  225   1HG2  VAL  57          1HG2      VAL  57  -1.881  -9.338  -3.189
  226   2HG2  VAL  57          2HG2      VAL  57  -3.609  -9.690  -3.142
  227   3HG2  VAL  57          3HG2      VAL  57  -3.028  -8.072  -2.749
  228    H    ILE  58           H        ILE  58  -1.495 -11.754  -5.892
  229    HA   ILE  58           HA       ILE  58   1.085 -10.519  -5.412
  230    HB   ILE  58           HB       ILE  58   1.888 -12.742  -5.738
  231   1HG1  ILE  58          1HG1      ILE  58  -1.038 -13.359  -5.344
  232   2HG1  ILE  58          2HG1      ILE  58  -0.124 -13.672  -6.816
  233   1HG2  ILE  58          1HG2      ILE  58   1.774 -11.568  -3.637
  234   2HG2  ILE  58          2HG2      ILE  58   1.269 -13.244  -3.412
  235   3HG2  ILE  58          3HG2      ILE  58   0.062 -11.960  -3.477
  236   1HD1  ILE  58          1HD1      ILE  58   0.362 -14.910  -4.118
  237   2HD1  ILE  58          2HD1      ILE  58   1.316 -15.211  -5.571
  238   3HD1  ILE  58          3HD1      ILE  58  -0.380 -15.690  -5.514
  239    H    GLY  59           H        GLY  59   2.783 -10.441  -6.846
  240   1HA   GLY  59          1HA       GLY  59   3.740 -10.283  -8.942
  241   2HA   GLY  59          2HA       GLY  59   2.548 -11.447  -9.510
  242    H    LYS  60           H        LYS  60   1.144  -8.879  -7.875
  243    HA   LYS  60           HA       LYS  60   0.358  -7.700 -10.448
  244   1HB   LYS  60          1HB       LYS  60  -1.196  -8.413  -7.983
  245   2HB   LYS  60          2HB       LYS  60  -1.746  -7.079  -9.003
  246   1HG   LYS  60          1HG       LYS  60  -1.850  -8.587 -10.923
  247   2HG   LYS  60          2HG       LYS  60  -1.281  -9.914  -9.907
  248   1HD   LYS  60          1HD       LYS  60  -3.272  -9.713  -8.513
  249   2HD   LYS  60          2HD       LYS  60  -3.835  -8.361  -9.502
  250   1HE   LYS  60          1HE       LYS  60  -4.032  -9.789 -11.430
  251   2HE   LYS  60          2HE       LYS  60  -3.307 -11.138 -10.557
  252   1HZ   LYS  60          1HZ       LYS  60  -5.895  -9.845  -9.870
  253   2HZ   LYS  60          2HZ       LYS  60  -5.205 -11.180  -9.087
  254   3HZ   LYS  60          3HZ       LYS  60  -5.724 -11.316 -10.694
  255    H    ASN  61           H        ASN  61   0.411  -5.524 -10.650
  256    HA   ASN  61           HA       ASN  61   2.064  -4.164  -8.706
  257   1HB   ASN  61          1HB       ASN  61   2.408  -3.929 -11.177
  258   2HB   ASN  61          2HB       ASN  61   0.870  -3.076 -11.265
  259   1HD2  ASN  61          1HD2      ASN  61   4.176  -2.929 -10.276
  260   2HD2  ASN  61          2HD2      ASN  61   4.220  -1.234  -9.940
  261    H    PHE  62           H        PHE  62   1.225  -3.224  -7.022
  262    HA   PHE  62           HA       PHE  62  -1.419  -2.782  -6.435
  263   1HB   PHE  62          1HB       PHE  62   0.395  -2.705  -4.786
  264   2HB   PHE  62          2HB       PHE  62   0.967  -1.190  -5.471
  265    HD1  PHE  62           HD1      PHE  62   0.483   0.666  -4.230
  266    HD2  PHE  62           HD2      PHE  62  -2.281  -2.569  -4.235
  267    HE1  PHE  62           HE1      PHE  62  -0.970   1.909  -2.681
  268    HE2  PHE  62           HE2      PHE  62  -3.736  -1.332  -2.686
  269    HZ   PHE  62           HZ       PHE  62  -3.083   0.909  -1.907
  270    H    PHE  63           H        PHE  63   0.771  -0.668  -8.182
  271    HA   PHE  63           HA       PHE  63  -1.093   1.562  -8.053
  272   1HB   PHE  63          1HB       PHE  63   1.607   1.428  -9.410
  273   2HB   PHE  63          2HB       PHE  63   0.702   2.877  -8.983
  274    HD1  PHE  63           HD1      PHE  63   2.834   0.192  -7.745
  275    HD2  PHE  63           HD2      PHE  63   0.577   3.638  -6.682
  276    HE1  PHE  63           HE1      PHE  63   3.998   0.282  -5.578
  277    HE2  PHE  63           HE2      PHE  63   1.731   3.734  -4.513
  278    HZ   PHE  63           HZ       PHE  63   3.406   1.992  -3.935
  279    H    LYS  64           H        LYS  64  -1.388  -1.021  -9.764
  280    HA   LYS  64           HA       LYS  64  -2.267   0.388 -12.150
  281   1HB   LYS  64          1HB       LYS  64   0.097  -0.258 -12.584
  282   2HB   LYS  64          2HB       LYS  64  -0.346  -1.938 -12.347
  283   1HG   LYS  64          1HG       LYS  64  -1.893  -0.436 -14.368
  284   2HG   LYS  64          2HG       LYS  64  -0.208  -0.784 -14.749
  285   1HD   LYS  64          1HD       LYS  64  -2.171  -2.883 -13.844
  286   2HD   LYS  64          2HD       LYS  64  -1.880  -2.496 -15.541
  287   1HE   LYS  64          1HE       LYS  64   0.484  -3.067 -15.264
  288   2HE   LYS  64          2HE       LYS  64   0.197  -3.442 -13.566
  289   1HZ   LYS  64          1HZ       LYS  64  -1.078  -4.846 -15.855
  290   2HZ   LYS  64          2HZ       LYS  64  -1.260  -5.233 -14.212
  291   3HZ   LYS  64          3HZ       LYS  64   0.245  -5.427 -14.970
  292    H    ASP  65           H        ASP  65  -1.940  -2.783 -10.567
  293    HA   ASP  65           HA       ASP  65  -4.012  -3.874 -12.260
  294   1HB   ASP  65          1HB       ASP  65  -2.291  -5.065 -10.098
  295   2HB   ASP  65          2HB       ASP  65  -3.595  -5.966 -10.864
  296    H    VAL  66           H        VAL  66  -3.913  -2.504  -9.051
  297    HA   VAL  66           HA       VAL  66  -6.761  -3.089  -8.867
  298    HB   VAL  66           HB       VAL  66  -5.436  -4.785  -7.956
  299   1HG1  VAL  66          1HG1      VAL  66  -4.576  -4.479  -5.706
  300   2HG1  VAL  66          2HG1      VAL  66  -4.944  -2.756  -5.795
  301   3HG1  VAL  66          3HG1      VAL  66  -3.728  -3.455  -6.864
  302   1HG2  VAL  66          1HG2      VAL  66  -7.784  -4.557  -7.543
  303   2HG2  VAL  66          2HG2      VAL  66  -7.473  -3.386  -6.261
  304   3HG2  VAL  66          3HG2      VAL  66  -6.958  -5.063  -6.069
  305    H    ALA  67           H        ALA  67  -4.677  -0.786  -8.879
  306    HA   ALA  67           HA       ALA  67  -6.327   1.044  -7.476
  307   1HB   ALA  67          1HB       ALA  67  -4.768   1.769  -5.738
  308   2HB   ALA  67          2HB       ALA  67  -3.662   0.470  -6.189
  309   3HB   ALA  67          3HB       ALA  67  -5.246   0.086  -5.515
  310    HA   PRO  68           HA       PRO  68  -3.754   3.204 -10.530
  311   1HB   PRO  68          1HB       PRO  68  -6.105   4.573 -11.407
  312   2HB   PRO  68          2HB       PRO  68  -5.199   3.322 -12.259
  313   1HG   PRO  68          1HG       PRO  68  -7.770   3.034 -11.263
  314   2HG   PRO  68          2HG       PRO  68  -6.674   1.703 -11.670
  315   1HD   PRO  68          1HD       PRO  68  -7.334   2.872  -9.003
  316   2HD   PRO  68          2HD       PRO  68  -6.984   1.188  -9.449
  317    H    CYS  69           H        CYS  69  -5.929   4.234  -8.040
  318    HA   CYS  69           HA       CYS  69  -5.321   7.044  -8.420
  319   1HB   CYS  69          1HB       CYS  69  -7.052   7.536  -6.996
  320   2HB   CYS  69          2HB       CYS  69  -7.587   5.974  -7.597
  321    H    THR  70           H        THR  70  -4.044   4.424  -6.645
  322    HA   THR  70           HA       THR  70  -2.909   5.993  -4.587
  323    HB   THR  70           HB       THR  70  -3.395   3.791  -4.389
  324    HG1  THR  70           HG1      THR  70  -0.955   4.969  -3.872
  325   1HG2  THR  70          1HG2      THR  70  -1.894   2.096  -5.334
  326   2HG2  THR  70          2HG2      THR  70  -1.131   3.343  -6.320
  327   3HG2  THR  70          3HG2      THR  70  -2.827   2.934  -6.575
  328    H    ASP  71           H        ASP  71  -1.823   5.071  -7.776
  329    HA   ASP  71           HA       ASP  71   0.908   5.783  -7.464
  330   1HB   ASP  71          1HB       ASP  71   0.169   4.437  -9.357
  331   2HB   ASP  71          2HB       ASP  71  -0.864   5.744  -9.918
  332    H    SER  72           H        SER  72   1.586   7.736  -6.883
  333    HA   SER  72           HA       SER  72   0.608  10.147  -8.069
  334   1HB   SER  72          1HB       SER  72  -1.253   9.637  -6.509
  335   2HB   SER  72          2HB       SER  72  -0.107   9.584  -5.171
  336    HG   SER  72           HG       SER  72  -1.102  11.768  -6.606
  337    HA   PRO  73           HA       PRO  73   4.648  11.449  -6.854
  338   1HB   PRO  73          1HB       PRO  73   4.161  14.129  -6.372
  339   2HB   PRO  73          2HB       PRO  73   4.462  13.417  -7.960
  340   1HG   PRO  73          1HG       PRO  73   1.871  14.143  -6.668
  341   2HG   PRO  73          2HG       PRO  73   2.371  14.315  -8.360
  342   1HD   PRO  73          1HD       PRO  73   0.739  12.338  -7.563
  343   2HD   PRO  73          2HD       PRO  73   1.947  12.093  -8.843
  344    H    GLU  74           H        GLU  74   1.937  12.018  -4.719
  345    HA   GLU  74           HA       GLU  74   3.719  12.701  -2.519
  346   1HB   GLU  74          1HB       GLU  74   1.674  13.077  -1.216
  347   2HB   GLU  74          2HB       GLU  74   1.695  14.014  -2.700
  348   1HG   GLU  74          1HG       GLU  74   0.172  12.431  -3.739
  349   2HG   GLU  74          2HG       GLU  74   0.183  11.446  -2.277
  350    H    PHE  75           H        PHE  75   2.061   9.955  -3.778
  351    HA   PHE  75           HA       PHE  75   2.564   8.488  -1.275
  352   1HB   PHE  75          1HB       PHE  75   0.230   8.397  -2.121
  353   2HB   PHE  75          2HB       PHE  75   0.817   7.660  -3.607
  354    HD1  PHE  75           HD1      PHE  75   1.720   5.377  -3.582
  355    HD2  PHE  75           HD2      PHE  75   0.005   7.117  -0.101
  356    HE1  PHE  75           HE1      PHE  75   1.530   3.145  -2.569
  357    HE2  PHE  75           HE2      PHE  75  -0.188   4.887   0.921
  358    HZ   PHE  75           HZ       PHE  75   0.571   2.917  -0.276
  359    H    TYR  76           H        TYR  76   2.412   7.537  -4.693
  360    HA   TYR  76           HA       TYR  76   4.353   5.536  -4.525
  361   1HB   TYR  76          1HB       TYR  76   2.709   5.783  -6.386
  362   2HB   TYR  76          2HB       TYR  76   3.620   7.170  -6.969
  363    HD1  TYR  76           HD1      TYR  76   5.117   6.793  -8.696
  364    HD2  TYR  76           HD2      TYR  76   4.212   3.605  -6.033
  365    HE1  TYR  76           HE1      TYR  76   6.532   5.284 -10.029
  366    HE2  TYR  76           HE2      TYR  76   5.618   2.088  -7.355
  367    HH   TYR  76           HH       TYR  76   6.499   1.905  -9.638
  368    H    GLY  77           H        GLY  77   4.596   8.958  -5.318
  369   1HA   GLY  77          1HA       GLY  77   7.266   9.069  -6.097
  370   2HA   GLY  77          2HA       GLY  77   6.384  10.387  -5.339
  371    H    LYS  78           H        LYS  78   5.871   9.133  -2.836
  372    HA   LYS  78           HA       LYS  78   8.517   9.479  -1.690
  373   1HB   LYS  78          1HB       LYS  78   5.791   9.304  -0.419
  374   2HB   LYS  78          2HB       LYS  78   7.283   9.411   0.509
  375   1HG   LYS  78          1HG       LYS  78   7.788  11.510  -0.794
  376   2HG   LYS  78          2HG       LYS  78   6.126  11.437  -1.370
  377   1HD   LYS  78          1HD       LYS  78   5.268  11.672   0.837
  378   2HD   LYS  78          2HD       LYS  78   6.874  11.463   1.545
  379   1HE   LYS  78          1HE       LYS  78   6.028  13.738  -0.247
  380   2HE   LYS  78          2HE       LYS  78   6.173  13.823   1.510
  381   1HZ   LYS  78          1HZ       LYS  78   8.123  14.684   0.201
  382   2HZ   LYS  78          2HZ       LYS  78   8.453  13.080  -0.248
  383   3HZ   LYS  78          3HZ       LYS  78   8.496  13.528   1.384
  384    H    PHE  79           H        PHE  79   6.261   6.938  -2.294
  385    HA   PHE  79           HA       PHE  79   7.420   4.932  -0.706
  386   1HB   PHE  79          1HB       PHE  79   5.303   4.635  -1.956
  387   2HB   PHE  79          2HB       PHE  79   6.193   4.716  -3.472
  388    HD1  PHE  79           HD1      PHE  79   5.664   2.709  -0.423
  389    HD2  PHE  79           HD2      PHE  79   7.283   2.831  -4.356
  390    HE1  PHE  79           HE1      PHE  79   6.002   0.273  -0.356
  391    HE2  PHE  79           HE2      PHE  79   7.625   0.397  -4.296
  392    HZ   PHE  79           HZ       PHE  79   6.985  -0.881  -2.295
  393    H    LYS  80           H        LYS  80   8.078   6.032  -3.970
  394    HA   LYS  80           HA       LYS  80  10.351   4.323  -4.365
  395   1HB   LYS  80          1HB       LYS  80   9.521   6.781  -5.925
  396   2HB   LYS  80          2HB       LYS  80  10.665   5.558  -6.454
  397   1HG   LYS  80          1HG       LYS  80   7.777   4.976  -5.855
  398   2HG   LYS  80          2HG       LYS  80   8.372   5.411  -7.455
  399   1HD   LYS  80          1HD       LYS  80   9.413   3.072  -5.866
  400   2HD   LYS  80          2HD       LYS  80   8.108   2.949  -7.048
  401   1HE   LYS  80          1HE       LYS  80   9.767   4.048  -8.678
  402   2HE   LYS  80          2HE       LYS  80  11.000   3.618  -7.496
  403   1HZ   LYS  80          1HZ       LYS  80  10.111   1.280  -7.674
  404   2HZ   LYS  80          2HZ       LYS  80  10.922   1.865  -9.040
  405   3HZ   LYS  80          3HZ       LYS  80   9.233   1.800  -9.027
  406    H    GLU  81           H        GLU  81   9.791   7.354  -2.925
  407    HA   GLU  81           HA       GLU  81  12.219   8.693  -3.235
  408   1HB   GLU  81          1HB       GLU  81  10.048   9.520  -2.181
  409   2HB   GLU  81          2HB       GLU  81  10.536   8.675  -0.725
  410   1HG   GLU  81          1HG       GLU  81  12.521  10.087  -0.571
  411   2HG   GLU  81          2HG       GLU  81  12.025  10.934  -2.036
  412    H    GLY  82           H        GLY  82  11.225   6.150  -1.021
  413   1HA   GLY  82          1HA       GLY  82  13.848   6.100   0.252
  414   2HA   GLY  82          2HA       GLY  82  12.461   5.112   0.685
  415    H    VAL  83           H        VAL  83  11.971   4.273  -2.074
  416    HA   VAL  83           HA       VAL  83  13.435   1.889  -2.068
  417    HB   VAL  83           HB       VAL  83  12.110   3.254  -4.226
  418   1HG1  VAL  83          1HG1      VAL  83  11.962   0.994  -5.189
  419   2HG1  VAL  83          2HG1      VAL  83  13.004   0.390  -3.900
  420   3HG1  VAL  83          3HG1      VAL  83  13.630   1.553  -5.068
  421   1HG2  VAL  83          1HG2      VAL  83  11.172   1.158  -2.291
  422   2HG2  VAL  83          2HG2      VAL  83  10.251   1.826  -3.640
  423   3HG2  VAL  83          3HG2      VAL  83  10.702   2.857  -2.282
  424    H    ALA  84           H        ALA  84  13.784   4.737  -4.181
  425    HA   ALA  84           HA       ALA  84  15.756   3.758  -5.854
  426   1HB   ALA  84          1HB       ALA  84  14.547   5.853  -6.247
  427   2HB   ALA  84          2HB       ALA  84  16.294   6.069  -6.372
  428   3HB   ALA  84          3HB       ALA  84  15.439   6.610  -4.928
  429    H    SER  85           H        SER  85  16.334   5.860  -3.011
  430    HA   SER  85           HA       SER  85  18.615   4.348  -2.208
  431   1HB   SER  85          1HB       SER  85  20.223   6.251  -2.582
  432   2HB   SER  85          2HB       SER  85  19.693   5.425  -4.046
  433    HG   SER  85           HG       SER  85  19.459   8.014  -3.404
  434    H    GLY  86           H        GLY  86  16.160   5.452  -1.023
  435   1HA   GLY  86          1HA       GLY  86  17.324   7.523   0.743
  436   2HA   GLY  86          2HA       GLY  86  15.618   7.411   0.342
  437    H    ASN  87           H        ASN  87  16.423   4.319   0.720
  438    HA   ASN  87           HA       ASN  87  15.754   2.765   2.240
  439   1HB   ASN  87          1HB       ASN  87  16.699   4.848   4.225
  440   2HB   ASN  87          2HB       ASN  87  16.174   3.231   4.681
  441   1HD2  ASN  87          1HD2      ASN  87  18.608   5.103   3.071
  442   2HD2  ASN  87          2HD2      ASN  87  19.816   3.866   3.007
  443    H    LEU  88           H        LEU  88  13.711   2.177   2.883
  444    HA   LEU  88           HA       LEU  88  11.880   4.448   2.822
  445   1HB   LEU  88          1HB       LEU  88  11.736   2.858   0.938
  446   2HB   LEU  88          2HB       LEU  88  11.303   1.594   2.075
  447    HG   LEU  88           HG       LEU  88   9.255   2.796   2.665
  448   1HD1  LEU  88          1HD1      LEU  88  10.075   5.078   2.318
  449   2HD1  LEU  88          2HD1      LEU  88   8.577   4.786   1.431
  450   3HD1  LEU  88          3HD1      LEU  88  10.121   4.793   0.576
  451   1HD2  LEU  88          1HD2      LEU  88   9.213   1.200   0.806
  452   2HD2  LEU  88          2HD2      LEU  88   9.600   2.506  -0.315
  453   3HD2  LEU  88          3HD2      LEU  88   8.071   2.519   0.562
  454    H    ASN  89           H        ASN  89  11.478   4.974   4.849
  455    HA   ASN  89           HA       ASN  89   9.539   3.384   6.144
  456   1HB   ASN  89          1HB       ASN  89  10.573   2.787   8.153
  457   2HB   ASN  89          2HB       ASN  89  11.737   2.338   6.928
  458   1HD2  ASN  89          1HD2      ASN  89  11.124   4.251   9.692
  459   2HD2  ASN  89          2HD2      ASN  89  12.680   4.994   9.802
  460    H    THR  90           H        THR  90   8.146   4.838   6.292
  461    HA   THR  90           HA       THR  90   8.424   7.083   8.003
  462    HB   THR  90           HB       THR  90   9.523   7.859   6.161
  463    HG1  THR  90           HG1      THR  90   8.581   9.607   6.892
  464   1HG2  THR  90          1HG2      THR  90   8.505   6.533   4.404
  465   2HG2  THR  90          2HG2      THR  90   8.339   8.256   4.067
  466   3HG2  THR  90          3HG2      THR  90   6.960   7.338   4.673
  467    H    MET  91           H        MET  91   6.336   8.347   7.962
  468    HA   MET  91           HA       MET  91   4.130   6.790   6.830
  469   1HB   MET  91          1HB       MET  91   2.809   7.067   8.873
  470   2HB   MET  91          2HB       MET  91   4.278   6.156   9.184
  471   1HG   MET  91          1HG       MET  91   5.322   8.190  10.091
  472   2HG   MET  91          2HG       MET  91   3.808   9.055   9.832
  473   1HE   MET  91          1HE       MET  91   3.850   8.727  13.710
  474   2HE   MET  91          2HE       MET  91   3.649   9.818  12.338
  475   3HE   MET  91          3HE       MET  91   5.210   9.053  12.634
  476    H    PHE  92           H        PHE  92   2.923   8.009   5.579
  477    HA   PHE  92           HA       PHE  92   2.594  10.822   6.360
  478   1HB   PHE  92          1HB       PHE  92   2.423  11.439   3.956
  479   2HB   PHE  92          2HB       PHE  92   4.014  10.874   4.430
  480    HD1  PHE  92           HD1      PHE  92   0.875   9.195   3.294
  481    HD2  PHE  92           HD2      PHE  92   5.056   9.757   2.711
  482    HE1  PHE  92           HE1      PHE  92   0.837   7.568   1.452
  483    HE2  PHE  92           HE2      PHE  92   5.021   8.134   0.871
  484    HZ   PHE  92           HZ       PHE  92   2.945   7.114   0.170
  485    H    GLU  93           H        GLU  93   0.612  11.806   5.247
  486    HA   GLU  93           HA       GLU  93  -1.592   9.944   5.797
  487   1HB   GLU  93          1HB       GLU  93  -1.448  11.936   7.232
  488   2HB   GLU  93          2HB       GLU  93  -1.525  12.967   5.812
  489   1HG   GLU  93          1HG       GLU  93  -3.774  12.135   5.336
  490   2HG   GLU  93          2HG       GLU  93  -3.694  11.121   6.779
  491    H    TYR  94           H        TYR  94  -2.774   9.259   4.152
  492    HA   TYR  94           HA       TYR  94  -2.799  10.806   1.652
  493   1HB   TYR  94          1HB       TYR  94  -1.016   9.025   1.631
  494   2HB   TYR  94          2HB       TYR  94  -2.290   7.827   1.800
  495    HD1  TYR  94           HD1      TYR  94  -2.961   6.778  -0.141
  496    HD2  TYR  94           HD2      TYR  94  -1.490  10.759  -0.371
  497    HE1  TYR  94           HE1      TYR  94  -3.205   6.721  -2.589
  498    HE2  TYR  94           HE2      TYR  94  -1.734  10.717  -2.814
  499    HH   TYR  94           HH       TYR  94  -3.465   8.301  -4.455
  500    H    THR  95           H        THR  95  -4.594  10.324   0.265
  501    HA   THR  95           HA       THR  95  -6.830   9.129   1.727
  502    HB   THR  95           HB       THR  95  -8.091  10.148  -0.012
  503    HG1  THR  95           HG1      THR  95  -6.865  10.979  -1.537
  504   1HG2  THR  95          1HG2      THR  95  -6.484  11.822   1.902
  505   2HG2  THR  95          2HG2      THR  95  -7.964  10.945   2.284
  506   3HG2  THR  95          3HG2      THR  95  -8.006  12.287   1.142
  507    H    PHE  96           H        PHE  96  -8.255   7.697   0.687
  508    HA   PHE  96           HA       PHE  96  -7.275   6.506  -1.822
  509   1HB   PHE  96          1HB       PHE  96  -7.998   5.090   0.734
  510   2HB   PHE  96          2HB       PHE  96  -8.093   4.274  -0.824
  511    HD1  PHE  96           HD1      PHE  96  -6.006   4.091  -2.220
  512    HD2  PHE  96           HD2      PHE  96  -5.962   5.350   1.843
  513    HE1  PHE  96           HE1      PHE  96  -3.603   3.583  -2.091
  514    HE2  PHE  96           HE2      PHE  96  -3.561   4.844   1.980
  515    HZ   PHE  96           HZ       PHE  96  -2.382   3.929  -0.013
  516    H    ASP  97           H        ASP  97  -8.752   6.748  -3.289
  517    HA   ASP  97           HA       ASP  97 -11.570   6.346  -2.564
  518   1HB   ASP  97          1HB       ASP  97 -12.187   7.993  -4.297
  519   2HB   ASP  97          2HB       ASP  97 -11.192   8.721  -3.043
  520    H    TYR  98           H        TYR  98 -12.442   6.490  -5.304
  521    HA   TYR  98           HA       TYR  98 -12.681   5.253  -7.187
  522   1HB   TYR  98          1HB       TYR  98 -10.245   5.649  -7.484
  523   2HB   TYR  98          2HB       TYR  98  -9.922   4.164  -6.597
  524    HD1  TYR  98           HD1      TYR  98  -9.738   2.160  -7.739
  525    HD2  TYR  98           HD2      TYR  98 -11.703   5.433  -9.622
  526    HE1  TYR  98           HE1      TYR  98  -9.879   0.865  -9.822
  527    HE2  TYR  98           HE2      TYR  98 -11.842   4.146 -11.716
  528    HH   TYR  98           HH       TYR  98 -10.724   2.266 -12.810
  529    H    GLN  99           H        GLN  99 -10.736   2.948  -5.263
  530    HA   GLN  99           HA       GLN  99 -12.882   0.978  -5.565
  531   1HB   GLN  99          1HB       GLN  99 -10.015   0.770  -4.659
  532   2HB   GLN  99          2HB       GLN  99 -11.151  -0.561  -4.478
  533   1HG   GLN  99          1HG       GLN  99 -10.348   0.748  -7.067
  534   2HG   GLN  99          2HG       GLN  99  -9.807  -0.826  -6.479
  535   1HE2  GLN  99          1HE2      GLN  99 -12.452   0.983  -7.824
  536   2HE2  GLN  99          2HE2      GLN  99 -13.450  -0.376  -8.202
  537    H    MET 100           H        MET 100 -12.314   3.369  -3.596
  538    HA   MET 100           HA       MET 100 -13.730   2.202  -1.351
  539   1HB   MET 100          1HB       MET 100 -11.340   1.884  -0.783
  540   2HB   MET 100          2HB       MET 100 -11.059   3.599  -1.043
  541   1HG   MET 100          1HG       MET 100 -11.206   3.019   1.328
  542   2HG   MET 100          2HG       MET 100 -12.454   4.161   0.835
  543   1HE   MET 100          1HE       MET 100 -14.156   2.014   3.653
  544   2HE   MET 100          2HE       MET 100 -13.630   3.624   3.164
  545   3HE   MET 100          3HE       MET 100 -12.434   2.391   3.567
  546    H    THR 101           H        THR 101 -14.877   3.820  -0.168
  547    HA   THR 101           HA       THR 101 -15.384   6.264  -1.487
  548    HB   THR 101           HB       THR 101 -16.175   6.945   0.655
  549    HG1  THR 101           HG1      THR 101 -15.542   5.712   2.255
  550   1HG2  THR 101          1HG2      THR 101 -18.092   5.430   0.491
  551   2HG2  THR 101          2HG2      THR 101 -17.174   4.406  -0.614
  552   3HG2  THR 101          3HG2      THR 101 -17.600   6.052  -1.083
  553    HA   PRO 102           HA       PRO 102 -11.852   8.693  -0.633
  554   1HB   PRO 102          1HB       PRO 102 -13.699  10.821   0.337
  555   2HB   PRO 102          2HB       PRO 102 -12.421  10.908  -0.882
  556   1HG   PRO 102          1HG       PRO 102 -14.969  10.835  -1.613
  557   2HG   PRO 102          2HG       PRO 102 -13.739   9.937  -2.522
  558   1HD   PRO 102          1HD       PRO 102 -15.770   8.930  -0.579
  559   2HD   PRO 102          2HD       PRO 102 -15.159   8.188  -2.068
  560    H    THR 103           H        THR 103 -11.270   7.303   1.163
  561    HA   THR 103           HA       THR 103 -11.833   8.442   3.807
  562    HB   THR 103           HB       THR 103 -10.242   6.150   3.142
  563    HG1  THR 103           HG1      THR 103 -12.557   6.283   2.299
  564   1HG2  THR 103          1HG2      THR 103 -10.048   6.992   5.424
  565   2HG2  THR 103          2HG2      THR 103 -10.933   5.466   5.376
  566   3HG2  THR 103          3HG2      THR 103 -11.806   6.984   5.578
  567    H    LYS 104           H        LYS 104 -10.200   9.128   5.208
  568    HA   LYS 104           HA       LYS 104  -7.598   9.707   3.959
  569   1HB   LYS 104          1HB       LYS 104  -9.006  10.898   6.356
  570   2HB   LYS 104          2HB       LYS 104  -7.312  11.201   6.011
  571   1HG   LYS 104          1HG       LYS 104  -8.565  13.051   5.216
  572   2HG   LYS 104          2HG       LYS 104  -8.000  12.148   3.812
  573   1HD   LYS 104          1HD       LYS 104 -10.174  11.170   3.503
  574   2HD   LYS 104          2HD       LYS 104 -10.757  11.879   5.009
  575   1HE   LYS 104          1HE       LYS 104  -9.845  13.421   2.585
  576   2HE   LYS 104          2HE       LYS 104 -11.523  13.124   3.033
  577   1HZ   LYS 104          1HZ       LYS 104 -10.843  15.302   3.757
  578   2HZ   LYS 104          2HZ       LYS 104  -9.531  14.660   4.617
  579   3HZ   LYS 104          3HZ       LYS 104 -11.114  14.323   5.113
  580    H    VAL 105           H        VAL 105  -5.973   8.367   4.474
  581    HA   VAL 105           HA       VAL 105  -6.075   7.102   7.131
  582    HB   VAL 105           HB       VAL 105  -4.934   5.318   6.272
  583   1HG1  VAL 105          1HG1      VAL 105  -7.350   5.266   6.566
  584   2HG1  VAL 105          2HG1      VAL 105  -6.879   4.349   5.133
  585   3HG1  VAL 105          3HG1      VAL 105  -7.573   5.961   4.961
  586   1HG2  VAL 105          1HG2      VAL 105  -4.909   4.947   3.857
  587   2HG2  VAL 105          2HG2      VAL 105  -3.881   6.296   4.340
  588   3HG2  VAL 105          3HG2      VAL 105  -5.456   6.606   3.609
  589    H    LYS 106           H        LYS 106  -4.005   6.364   7.932
  590    HA   LYS 106           HA       LYS 106  -1.798   8.122   7.112
  591   1HB   LYS 106          1HB       LYS 106  -2.581   8.535   9.393
  592   2HB   LYS 106          2HB       LYS 106  -2.410   6.831   9.785
  593   1HG   LYS 106          1HG       LYS 106  -0.075   6.952   9.798
  594   2HG   LYS 106          2HG       LYS 106  -0.062   8.491   8.932
  595   1HD   LYS 106          1HD       LYS 106   0.440   8.641  11.397
  596   2HD   LYS 106          2HD       LYS 106  -0.882   9.664  10.834
  597   1HE   LYS 106          1HE       LYS 106  -2.484   7.920  11.592
  598   2HE   LYS 106          2HE       LYS 106  -1.126   7.018  12.265
  599   1HZ   LYS 106          1HZ       LYS 106  -2.436   8.524  13.823
  600   2HZ   LYS 106          2HZ       LYS 106  -1.658   9.819  13.057
  601   3HZ   LYS 106          3HZ       LYS 106  -0.746   8.647  13.872
  602    H    VAL 107           H        VAL 107  -0.199   7.098   6.071
  603    HA   VAL 107           HA       VAL 107  -0.314   4.164   6.085
  604    HB   VAL 107           HB       VAL 107   0.716   5.988   4.119
  605   1HG1  VAL 107          1HG1      VAL 107   0.168   3.020   4.121
  606   2HG1  VAL 107          2HG1      VAL 107   1.757   3.786   4.075
  607   3HG1  VAL 107          3HG1      VAL 107   0.649   3.966   2.714
  608   1HG2  VAL 107          1HG2      VAL 107  -1.681   6.269   4.412
  609   2HG2  VAL 107          2HG2      VAL 107  -1.907   4.528   4.246
  610   3HG2  VAL 107          3HG2      VAL 107  -1.303   5.474   2.885
  611    H    HIS 108           H        HIS 108   1.311   3.260   7.116
  612    HA   HIS 108           HA       HIS 108   3.880   4.680   7.224
  613   1HB   HIS 108          1HB       HIS 108   2.891   4.101   9.418
  614   2HB   HIS 108          2HB       HIS 108   2.884   2.401   8.956
  615    HD1  HIS 108           HD1      HIS 108   4.592   1.404  10.483
  616    HD2  HIS 108           HD2      HIS 108   5.945   4.887   8.650
  617    HE1  HIS 108           HE1      HIS 108   7.017   1.614  11.123
  618    HE2  HIS 108           HE2      HIS 108   7.779   3.804  10.120
  619    H    MET 109           H        MET 109   5.143   4.087   5.626
  620    HA   MET 109           HA       MET 109   5.207   1.246   4.866
  621   1HB   MET 109          1HB       MET 109   6.294   1.949   2.790
  622   2HB   MET 109          2HB       MET 109   4.754   2.763   3.011
  623   1HG   MET 109          1HG       MET 109   7.374   4.058   3.693
  624   2HG   MET 109          2HG       MET 109   6.650   4.145   2.085
  625   1HE   MET 109          1HE       MET 109   3.213   5.888   2.939
  626   2HE   MET 109          2HE       MET 109   3.519   4.153   3.025
  627   3HE   MET 109          3HE       MET 109   4.169   5.098   1.686
  628    H    LYS 110           H        LYS 110   7.044   0.042   5.093
  629    HA   LYS 110           HA       LYS 110   9.478   1.348   6.004
  630   1HB   LYS 110          1HB       LYS 110   9.609   0.291   8.116
  631   2HB   LYS 110          2HB       LYS 110   7.992   0.972   8.032
  632   1HG   LYS 110          1HG       LYS 110   7.127  -1.262   7.415
  633   2HG   LYS 110          2HG       LYS 110   8.754  -1.912   7.626
  634   1HD   LYS 110          1HD       LYS 110   8.603  -0.846   9.986
  635   2HD   LYS 110          2HD       LYS 110   6.864  -0.823   9.682
  636   1HE   LYS 110          1HE       LYS 110   7.277  -2.844  10.821
  637   2HE   LYS 110          2HE       LYS 110   7.073  -3.288   9.127
  638   1HZ   LYS 110          1HZ       LYS 110   8.942  -4.470   9.917
  639   2HZ   LYS 110          2HZ       LYS 110   9.604  -3.098  10.664
  640   3HZ   LYS 110          3HZ       LYS 110   9.571  -3.204   8.978
  641    H    LYS 111           H        LYS 111  11.308  -0.065   5.976
  642    HA   LYS 111           HA       LYS 111  11.007  -1.977   3.815
  643   1HB   LYS 111          1HB       LYS 111  12.799  -0.102   4.097
  644   2HB   LYS 111          2HB       LYS 111  13.599  -1.246   5.165
  645   1HG   LYS 111          1HG       LYS 111  13.566  -2.888   3.273
  646   2HG   LYS 111          2HG       LYS 111  12.986  -1.569   2.250
  647   1HD   LYS 111          1HD       LYS 111  14.994  -0.271   2.786
  648   2HD   LYS 111          2HD       LYS 111  15.581  -1.600   3.788
  649   1HE   LYS 111          1HE       LYS 111  14.997  -1.783   0.839
  650   2HE   LYS 111          2HE       LYS 111  16.599  -1.563   1.539
  651   1HZ   LYS 111          1HZ       LYS 111  15.576  -3.938   0.925
  652   2HZ   LYS 111          2HZ       LYS 111  15.080  -3.823   2.549
  653   3HZ   LYS 111          3HZ       LYS 111  16.723  -3.705   2.156
  654    H    ALA 112           H        ALA 112  11.040  -4.128   4.044
  655    HA   ALA 112           HA       ALA 112  12.283  -5.282   6.442
  656   1HB   ALA 112          1HB       ALA 112   9.876  -5.215   6.858
  657   2HB   ALA 112          2HB       ALA 112  10.451  -6.874   6.684
  658   3HB   ALA 112          3HB       ALA 112   9.591  -6.095   5.356
  659    H    LEU 113           H        LEU 113  13.615  -6.930   5.967
  660    HA   LEU 113           HA       LEU 113  13.603  -7.778   3.168
  661   1HB   LEU 113          1HB       LEU 113  15.593  -6.672   3.686
  662   2HB   LEU 113          2HB       LEU 113  15.811  -7.564   5.172
  663    HG   LEU 113           HG       LEU 113  16.157  -9.625   3.757
  664   1HD1  LEU 113          1HD1      LEU 113  16.764  -9.267   1.412
  665   2HD1  LEU 113          2HD1      LEU 113  16.295  -7.573   1.555
  666   3HD1  LEU 113          3HD1      LEU 113  15.081  -8.842   1.725
  667   1HD2  LEU 113          1HD2      LEU 113  18.458  -9.061   3.214
  668   2HD2  LEU 113          2HD2      LEU 113  18.004  -8.381   4.778
  669   3HD2  LEU 113          3HD2      LEU 113  18.084  -7.343   3.355
  670    H    SER 114           H        SER 114  12.138  -9.400   3.359
  671    HA   SER 114           HA       SER 114  13.422 -11.910   4.236
  672   1HB   SER 114          1HB       SER 114  11.045 -11.538   5.063
  673   2HB   SER 114          2HB       SER 114  10.529 -11.499   3.381
  674    HG   SER 114           HG       SER 114  12.042 -13.696   3.903
  675    H    GLY 115           H        GLY 115  11.109 -10.935   1.726
  676   1HA   GLY 115          1HA       GLY 115  13.325 -11.044  -0.216
  677   2HA   GLY 115          2HA       GLY 115  11.604 -11.034  -0.640
  678    H    ASP 116           H        ASP 116  13.833  -9.035  -1.266
  679    HA   ASP 116           HA       ASP 116  13.582  -6.788   0.360
  680   1HB   ASP 116          1HB       ASP 116  15.372  -6.977  -1.279
  681   2HB   ASP 116          2HB       ASP 116  14.205  -6.859  -2.595
  682    H    SER 117           H        SER 117  11.661  -6.126   0.934
  683    HA   SER 117           HA       SER 117  10.058  -4.705  -0.952
  684   1HB   SER 117          1HB       SER 117   7.943  -5.946  -0.067
  685   2HB   SER 117          2HB       SER 117   8.901  -6.723  -1.334
  686    HG   SER 117           HG       SER 117  10.051  -7.660   0.661
  687    H    TYR 118           H        TYR 118   7.908  -4.002   0.529
  688    HA   TYR 118           HA       TYR 118   9.086  -3.084   3.062
  689   1HB   TYR 118          1HB       TYR 118   7.340  -1.363   1.290
  690   2HB   TYR 118          2HB       TYR 118   8.365  -0.861   2.633
  691    HD1  TYR 118           HD1      TYR 118   8.202  -1.610  -0.894
  692    HD2  TYR 118           HD2      TYR 118  10.835  -0.850   2.354
  693    HE1  TYR 118           HE1      TYR 118  10.051  -1.238  -2.481
  694    HE2  TYR 118           HE2      TYR 118  12.686  -0.463   0.780
  695    HH   TYR 118           HH       TYR 118  13.320  -1.043  -1.474
  696    H    TRP 119           H        TRP 119   7.521  -2.651   4.679
  697    HA   TRP 119           HA       TRP 119   4.961  -3.988   4.201
  698   1HB   TRP 119          1HB       TRP 119   6.577  -3.403   6.655
  699   2HB   TRP 119          2HB       TRP 119   4.832  -3.602   6.803
  700    HD1  TRP 119           HD1      TRP 119   8.012  -5.551   6.499
  701    HE1  TRP 119           HE1      TRP 119   7.489  -8.071   6.470
  702    HE3  TRP 119           HE3      TRP 119   2.947  -5.311   5.885
  703    HZ2  TRP 119           HZ2      TRP 119   5.224  -9.733   6.216
  704    HZ3  TRP 119           HZ3      TRP 119   1.676  -7.413   5.759
  705    HH2  TRP 119           HH2      TRP 119   2.794  -9.575   5.919
  706    H    VAL 120           H        VAL 120   3.608  -2.610   3.361
  707    HA   VAL 120           HA       VAL 120   3.574   0.143   4.376
  708    HB   VAL 120           HB       VAL 120   2.597  -1.211   2.037
  709   1HG1  VAL 120          1HG1      VAL 120   2.164   1.660   2.898
  710   2HG1  VAL 120          2HG1      VAL 120   0.902   0.439   2.741
  711   3HG1  VAL 120          3HG1      VAL 120   1.779   0.987   1.312
  712   1HG2  VAL 120          1HG2      VAL 120   4.114   0.327   0.953
  713   2HG2  VAL 120          2HG2      VAL 120   4.947  -0.706   2.114
  714   3HG2  VAL 120          3HG2      VAL 120   4.590   0.972   2.524
  715    H    PHE 121           H        PHE 121   2.302   0.317   6.074
  716    HA   PHE 121           HA       PHE 121  -0.180  -1.252   6.212
  717   1HB   PHE 121          1HB       PHE 121   1.258   0.256   8.407
  718   2HB   PHE 121          2HB       PHE 121  -0.152  -0.773   8.612
  719    HD1  PHE 121           HD1      PHE 121   3.408  -0.607   8.534
  720    HD2  PHE 121           HD2      PHE 121   0.099  -3.246   8.107
  721    HE1  PHE 121           HE1      PHE 121   4.888  -2.520   8.972
  722    HE2  PHE 121           HE2      PHE 121   1.574  -5.168   8.546
  723    HZ   PHE 121           HZ       PHE 121   3.969  -4.805   8.982
  724    H    VAL 122           H        VAL 122  -2.134  -0.281   6.343
  725    HA   VAL 122           HA       VAL 122  -2.150   2.658   6.331
  726    HB   VAL 122           HB       VAL 122  -4.339   2.462   5.583
  727   1HG1  VAL 122          1HG1      VAL 122  -2.420   2.926   4.135
  728   2HG1  VAL 122          2HG1      VAL 122  -3.632   1.948   3.305
  729   3HG1  VAL 122          3HG1      VAL 122  -2.164   1.193   3.926
  730   1HG2  VAL 122          1HG2      VAL 122  -3.614  -0.434   5.258
  731   2HG2  VAL 122          2HG2      VAL 122  -5.029   0.361   4.567
  732   3HG2  VAL 122          3HG2      VAL 122  -4.865   0.218   6.318
  733    H    LYS 123           H        LYS 123  -3.704   3.785   7.553
  734    HA   LYS 123           HA       LYS 123  -5.259   2.322   9.525
  735   1HB   LYS 123          1HB       LYS 123  -3.126   2.598  10.668
  736   2HB   LYS 123          2HB       LYS 123  -3.113   4.315  10.293
  737   1HG   LYS 123          1HG       LYS 123  -3.731   3.936  12.608
  738   2HG   LYS 123          2HG       LYS 123  -5.072   4.648  11.711
  739   1HD   LYS 123          1HD       LYS 123  -6.026   2.362  11.447
  740   2HD   LYS 123          2HD       LYS 123  -4.739   1.753  12.491
  741   1HE   LYS 123          1HE       LYS 123  -6.743   3.864  13.284
  742   2HE   LYS 123          2HE       LYS 123  -6.880   2.153  13.683
  743   1HZ   LYS 123          1HZ       LYS 123  -4.549   3.809  14.481
  744   2HZ   LYS 123          2HZ       LYS 123  -4.973   2.268  15.048
  745   3HZ   LYS 123          3HZ       LYS 123  -5.921   3.610  15.454
  746    H    ARG 124           H        ARG 124  -7.208   3.150   9.279
  747    HA   ARG 124           HA       ARG 124  -7.666   5.738   8.151
  748   1HB   ARG 124          1HB       ARG 124  -9.226   4.007   7.638
  749   2HB   ARG 124          2HB       ARG 124  -9.481   3.637   9.334
  750   1HG   ARG 124          1HG       ARG 124 -10.609   5.777   9.641
  751   2HG   ARG 124          2HG       ARG 124 -10.333   6.168   7.942
  752   1HD   ARG 124          1HD       ARG 124 -11.703   4.318   7.243
  753   2HD   ARG 124          2HD       ARG 124 -11.870   3.761   8.906
  754    HE   ARG 124           HE       ARG 124 -13.053   5.970   9.277
  755   1HH1  ARG 124          1HH1      ARG 124 -13.050   4.334   6.174
  756   2HH1  ARG 124          2HH1      ARG 124 -14.587   4.982   5.686
  757   1HH2  ARG 124          1HH2      ARG 124 -15.098   6.792   8.639
  758   2HH2  ARG 124          2HH2      ARG 124 -15.749   6.349   7.091
  759    H    VAL 125           H        VAL 125  -8.451   7.592   9.130
  760    HA   VAL 125           HA       VAL 125  -7.942   7.888  11.934
  761    HB   VAL 125           HB       VAL 125  -8.988  10.013  11.597
  762   1HG1  VAL 125          1HG1      VAL 125  -6.930  10.806  10.496
  763   2HG1  VAL 125          2HG1      VAL 125  -6.537   9.140  10.073
  764   3HG1  VAL 125          3HG1      VAL 125  -6.601   9.626  11.766
  765   1HG2  VAL 125          1HG2      VAL 125  -8.746   9.148   8.723
  766   2HG2  VAL 125          2HG2      VAL 125  -9.024  10.797   9.284
  767   3HG2  VAL 125          3HG2      VAL 125 -10.239   9.551   9.569
  768    H2   HC4 169           H2       HC4 169  -7.410   3.772  -3.309
  769    H3   HC4 169           H3       HC4 169  -7.310   1.598  -5.342
  770    H2'  HC4 169           H2'      HC4 169  -7.444  -0.703  -4.313
  771    H3'  HC4 169           H3'      HC4 169  -8.000  -2.180  -2.429
  772    H5'  HC4 169           H5'      HC4 169  -8.116   1.196   0.161
  773    H6'  HC4 169           H6'      HC4 169  -7.730   2.679  -1.764
  Start of MODEL    7
    1    H    LEU  26           H        LEU  26 -10.396  -4.812  13.592
    2    HA   LEU  26           HA       LEU  26  -9.425  -7.490  12.790
    3   1HB   LEU  26          1HB       LEU  26 -10.768  -5.618  11.316
    4   2HB   LEU  26          2HB       LEU  26  -9.118  -5.115  11.060
    5    HG   LEU  26           HG       LEU  26  -9.827  -6.497   9.286
    6   1HD1  LEU  26          1HD1      LEU  26  -7.507  -6.718   9.903
    7   2HD1  LEU  26          2HD1      LEU  26  -8.131  -8.274   9.356
    8   3HD1  LEU  26          3HD1      LEU  26  -7.915  -7.968  11.078
    9   1HD2  LEU  26          1HD2      LEU  26 -11.602  -7.719  10.399
   10   2HD2  LEU  26          2HD2      LEU  26 -10.409  -8.612  11.342
   11   3HD2  LEU  26          3HD2      LEU  26 -10.493  -8.827   9.593
   12    H    ALA  27           H        ALA  27  -7.218  -7.729  12.617
   13    HA   ALA  27           HA       ALA  27  -5.616  -6.004  14.245
   14   1HB   ALA  27          1HB       ALA  27  -4.776  -8.337  12.531
   15   2HB   ALA  27          2HB       ALA  27  -5.321  -8.439  14.206
   16   3HB   ALA  27          3HB       ALA  27  -3.828  -7.585  13.815
   17    H    PHE  28           H        PHE  28  -6.360  -4.244  12.514
   18    HA   PHE  28           HA       PHE  28  -5.614  -2.554  11.219
   19   1HB   PHE  28          1HB       PHE  28  -2.980  -3.898  11.769
   20   2HB   PHE  28          2HB       PHE  28  -3.096  -2.456  10.764
   21    HD1  PHE  28           HD1      PHE  28  -3.783  -0.323  11.730
   22    HD2  PHE  28           HD2      PHE  28  -3.260  -3.790  14.144
   23    HE1  PHE  28           HE1      PHE  28  -3.715   1.091  13.741
   24    HE2  PHE  28           HE2      PHE  28  -3.195  -2.380  16.158
   25    HZ   PHE  28           HZ       PHE  28  -3.423   0.063  15.958
   26    H    GLY  29           H        GLY  29  -4.619  -1.977   9.117
   27   1HA   GLY  29          1HA       GLY  29  -4.988  -4.169   7.189
   28   2HA   GLY  29          2HA       GLY  29  -5.124  -2.452   6.828
   29    H    ALA  30           H        ALA  30  -3.121  -5.140   6.729
   30    HA   ALA  30           HA       ALA  30  -0.747  -3.453   6.321
   31   1HB   ALA  30          1HB       ALA  30  -0.534  -4.731   8.388
   32   2HB   ALA  30          2HB       ALA  30   0.623  -5.290   7.181
   33   3HB   ALA  30          3HB       ALA  30  -0.835  -6.228   7.504
   34    H    ILE  31           H        ILE  31   0.159  -3.613   4.397
   35    HA   ILE  31           HA       ILE  31  -0.351  -6.026   2.780
   36    HB   ILE  31           HB       ILE  31   0.126  -3.329   1.888
   37   1HG1  ILE  31          1HG1      ILE  31  -2.419  -4.948   1.941
   38   2HG1  ILE  31          2HG1      ILE  31  -2.057  -3.607   3.023
   39   1HG2  ILE  31          1HG2      ILE  31  -0.601  -5.880   0.449
   40   2HG2  ILE  31          2HG2      ILE  31   0.946  -5.037   0.356
   41   3HG2  ILE  31          3HG2      ILE  31  -0.513  -4.279  -0.285
   42   1HD1  ILE  31          1HD1      ILE  31  -2.276  -3.415   0.028
   43   2HD1  ILE  31          2HD1      ILE  31  -1.990  -2.080   1.145
   44   3HD1  ILE  31          3HD1      ILE  31  -3.523  -2.950   1.184
   45    H    GLN  32           H        GLN  32   1.447  -6.972   1.874
   46    HA   GLN  32           HA       GLN  32   4.006  -5.632   2.408
   47   1HB   GLN  32          1HB       GLN  32   3.718  -7.914   3.348
   48   2HB   GLN  32          2HB       GLN  32   3.518  -8.538   1.717
   49   1HG   GLN  32          1HG       GLN  32   5.770  -7.886   1.153
   50   2HG   GLN  32          2HG       GLN  32   5.974  -7.127   2.731
   51   1HE2  GLN  32          1HE2      GLN  32   7.699  -8.406   3.299
   52   2HE2  GLN  32          2HE2      GLN  32   7.537 -10.082   3.683
   53    H    LEU  33           H        LEU  33   5.035  -4.742   0.775
   54    HA   LEU  33           HA       LEU  33   4.542  -5.707  -1.928
   55   1HB   LEU  33          1HB       LEU  33   4.067  -3.598  -2.849
   56   2HB   LEU  33          2HB       LEU  33   3.015  -3.761  -1.462
   57    HG   LEU  33           HG       LEU  33   5.552  -2.116  -1.556
   58   1HD1  LEU  33          1HD1      LEU  33   3.781  -1.196  -2.949
   59   2HD1  LEU  33          2HD1      LEU  33   4.049  -0.199  -1.520
   60   3HD1  LEU  33          3HD1      LEU  33   2.656  -1.280  -1.593
   61   1HD2  LEU  33          1HD2      LEU  33   4.596  -1.142   0.564
   62   2HD2  LEU  33          2HD2      LEU  33   5.237  -2.776   0.694
   63   3HD2  LEU  33          3HD2      LEU  33   3.494  -2.520   0.605
   64    H    ASP  34           H        ASP  34   6.224  -5.110  -3.448
   65    HA   ASP  34           HA       ASP  34   8.725  -4.530  -2.024
   66   1HB   ASP  34          1HB       ASP  34   9.926  -5.623  -3.826
   67   2HB   ASP  34          2HB       ASP  34   8.693  -6.694  -3.175
   68    H    GLY  35           H        GLY  35  10.435  -3.507  -3.534
   69   1HA   GLY  35          1HA       GLY  35   9.790  -0.836  -3.664
   70   2HA   GLY  35          2HA       GLY  35  11.168  -1.557  -4.466
   71    H    ASP  36           H        ASP  36   9.176  -3.176  -6.175
   72    HA   ASP  36           HA       ASP  36   8.977  -1.159  -8.240
   73   1HB   ASP  36          1HB       ASP  36   8.640  -4.111  -8.115
   74   2HB   ASP  36          2HB       ASP  36   7.777  -3.259  -9.392
   75    H    GLY  37           H        GLY  37   6.985  -2.486  -5.827
   76   1HA   GLY  37          1HA       GLY  37   4.878  -1.427  -5.313
   77   2HA   GLY  37          2HA       GLY  37   4.622  -1.210  -7.041
   78    H    ASN  38           H        ASN  38   6.017  -4.173  -6.548
   79    HA   ASN  38           HA       ASN  38   3.648  -5.548  -7.337
   80   1HB   ASN  38          1HB       ASN  38   6.382  -6.522  -6.493
   81   2HB   ASN  38          2HB       ASN  38   5.075  -7.611  -6.973
   82   1HD2  ASN  38          1HD2      ASN  38   4.423  -7.691  -9.100
   83   2HD2  ASN  38          2HD2      ASN  38   5.347  -7.010 -10.389
   84    H    ILE  39           H        ILE  39   2.243  -6.692  -6.207
   85    HA   ILE  39           HA       ILE  39   2.309  -6.413  -3.319
   86    HB   ILE  39           HB       ILE  39   0.378  -7.815  -4.909
   87   1HG1  ILE  39          1HG1      ILE  39   0.563  -4.852  -4.354
   88   2HG1  ILE  39          2HG1      ILE  39   0.774  -5.620  -5.925
   89   1HG2  ILE  39          1HG2      ILE  39  -1.063  -7.009  -3.055
   90   2HG2  ILE  39          2HG2      ILE  39   0.362  -6.323  -2.275
   91   3HG2  ILE  39          3HG2      ILE  39   0.231  -8.067  -2.493
   92   1HD1  ILE  39          1HD1      ILE  39  -1.532  -6.403  -5.855
   93   2HD1  ILE  39          2HD1      ILE  39  -1.435  -4.648  -5.715
   94   3HD1  ILE  39          3HD1      ILE  39  -1.749  -5.631  -4.284
   95    H    LEU  40           H        LEU  40   2.234  -8.158  -1.876
   96    HA   LEU  40           HA       LEU  40   3.034 -10.750  -3.027
   97   1HB   LEU  40          1HB       LEU  40   3.724  -9.591  -0.331
   98   2HB   LEU  40          2HB       LEU  40   4.254 -11.150  -0.941
   99    HG   LEU  40           HG       LEU  40   5.085  -8.423  -1.923
  100   1HD1  LEU  40          1HD1      LEU  40   6.230  -9.258   0.068
  101   2HD1  LEU  40          2HD1      LEU  40   7.313  -9.181  -1.321
  102   3HD1  LEU  40          3HD1      LEU  40   6.659 -10.733  -0.798
  103   1HD2  LEU  40          1HD2      LEU  40   6.428  -9.584  -3.613
  104   2HD2  LEU  40          2HD2      LEU  40   4.700  -9.855  -3.854
  105   3HD2  LEU  40          3HD2      LEU  40   5.700 -11.118  -3.133
  106    H    GLN  41           H        GLN  41   1.653  -9.404  -0.035
  107    HA   GLN  41           HA       GLN  41  -0.538 -11.279  -0.184
  108   1HB   GLN  41          1HB       GLN  41  -0.073 -12.050   2.199
  109   2HB   GLN  41          2HB       GLN  41   0.935 -12.729   0.930
  110   1HG   GLN  41          1HG       GLN  41   2.685 -11.072   1.502
  111   2HG   GLN  41          2HG       GLN  41   1.682 -10.538   2.851
  112   1HE2  GLN  41          1HE2      GLN  41   3.311 -11.133   4.316
  113   2HE2  GLN  41          2HE2      GLN  41   3.613 -12.789   4.717
  114    H    TYR  42           H        TYR  42  -2.312 -10.561   0.713
  115    HA   TYR  42           HA       TYR  42  -2.313  -7.941   1.992
  116   1HB   TYR  42          1HB       TYR  42  -4.324  -9.664   0.630
  117   2HB   TYR  42          2HB       TYR  42  -4.915  -8.554   1.855
  118    HD1  TYR  42           HD1      TYR  42  -6.254  -7.584  -0.024
  119    HD2  TYR  42           HD2      TYR  42  -1.995  -7.416   0.045
  120    HE1  TYR  42           HE1      TYR  42  -6.309  -5.771  -1.676
  121    HE2  TYR  42           HE2      TYR  42  -2.045  -5.597  -1.613
  122    HH   TYR  42           HH       TYR  42  -4.838  -3.889  -2.401
  123    H    ASN  43           H        ASN  43  -3.298  -7.553   4.020
  124    HA   ASN  43           HA       ASN  43  -3.453  -9.854   5.791
  125   1HB   ASN  43          1HB       ASN  43  -2.430  -7.629   6.495
  126   2HB   ASN  43          2HB       ASN  43  -4.066  -6.975   6.498
  127   1HD2  ASN  43          1HD2      ASN  43  -3.971  -6.548   8.723
  128   2HD2  ASN  43          2HD2      ASN  43  -4.047  -7.827   9.901
  129    H    ALA  44           H        ALA  44  -5.404  -9.950   7.281
  130    HA   ALA  44           HA       ALA  44  -7.635 -10.632   5.811
  131   1HB   ALA  44          1HB       ALA  44  -8.818 -10.799   7.936
  132   2HB   ALA  44          2HB       ALA  44  -7.540  -9.873   8.724
  133   3HB   ALA  44          3HB       ALA  44  -7.190 -11.467   8.055
  134    H    ALA  45           H        ALA  45  -6.878  -7.545   7.311
  135    HA   ALA  45           HA       ALA  45  -9.449  -6.408   7.211
  136   1HB   ALA  45          1HB       ALA  45  -7.635  -5.488   8.565
  137   2HB   ALA  45          2HB       ALA  45  -8.330  -4.270   7.495
  138   3HB   ALA  45          3HB       ALA  45  -6.784  -5.016   7.094
  139    H    GLU  46           H        GLU  46  -6.739  -6.242   4.926
  140    HA   GLU  46           HA       GLU  46  -8.070  -4.412   3.190
  141   1HB   GLU  46          1HB       GLU  46  -5.507  -4.933   3.528
  142   2HB   GLU  46          2HB       GLU  46  -5.797  -6.121   2.264
  143   1HG   GLU  46          1HG       GLU  46  -4.964  -4.039   1.338
  144   2HG   GLU  46          2HG       GLU  46  -6.607  -4.364   0.784
  145    HE2  GLU  46           HE2      GLU  46  -7.514  -1.415   0.910
  146    H    GLY  47           H        GLY  47  -8.515  -7.624   3.779
  147   1HA   GLY  47          1HA       GLY  47  -9.569  -8.117   1.082
  148   2HA   GLY  47          2HA       GLY  47  -9.161  -9.374   2.246
  149    H    ASP  48           H        ASP  48 -10.419  -8.616   4.515
  150    HA   ASP  48           HA       ASP  48 -13.084  -9.437   3.833
  151   1HB   ASP  48          1HB       ASP  48 -11.866 -10.304   5.807
  152   2HB   ASP  48          2HB       ASP  48 -11.938  -8.704   6.535
  153    H    ILE  49           H        ILE  49 -11.617  -6.490   5.077
  154    HA   ILE  49           HA       ILE  49 -14.167  -5.160   5.370
  155    HB   ILE  49           HB       ILE  49 -11.482  -4.142   5.323
  156   1HG1  ILE  49          1HG1      ILE  49 -13.239  -5.135   7.549
  157   2HG1  ILE  49          2HG1      ILE  49 -11.700  -5.801   7.014
  158   1HG2  ILE  49          1HG2      ILE  49 -13.208  -2.450   4.898
  159   2HG2  ILE  49          2HG2      ILE  49 -12.497  -2.254   6.500
  160   3HG2  ILE  49          3HG2      ILE  49 -14.088  -2.996   6.328
  161   1HD1  ILE  49          1HD1      ILE  49 -10.562  -3.772   7.737
  162   2HD1  ILE  49          2HD1      ILE  49 -11.438  -4.536   9.063
  163   3HD1  ILE  49          3HD1      ILE  49 -12.101  -3.104   8.277
  164    H    THR  50           H        THR  50 -11.278  -4.658   3.376
  165    HA   THR  50           HA       THR  50 -12.285  -2.753   1.638
  166    HB   THR  50           HB       THR  50 -10.489  -4.889   1.007
  167    HG1  THR  50           HG1      THR  50  -9.185  -2.817   1.875
  168   1HG2  THR  50          1HG2      THR  50  -9.462  -3.171  -0.373
  169   2HG2  THR  50          2HG2      THR  50 -10.714  -2.024   0.102
  170   3HG2  THR  50          3HG2      THR  50 -11.135  -3.443  -0.857
  171    H    GLY  51           H        GLY  51 -12.134  -6.293   1.166
  172   1HA   GLY  51          1HA       GLY  51 -14.019  -7.403   0.093
  173   2HA   GLY  51          2HA       GLY  51 -14.197  -5.979  -0.920
  174    H    ARG  52           H        ARG  52 -11.294  -7.782  -0.044
  175    HA   ARG  52           HA       ARG  52 -10.953  -8.567  -2.850
  176   1HB   ARG  52          1HB       ARG  52  -8.849  -7.254  -1.109
  177   2HB   ARG  52          2HB       ARG  52  -8.511  -8.036  -2.646
  178   1HG   ARG  52          1HG       ARG  52 -10.296  -5.642  -2.254
  179   2HG   ARG  52          2HG       ARG  52  -8.642  -5.613  -2.870
  180   1HD   ARG  52          1HD       ARG  52  -9.350  -7.047  -4.749
  181   2HD   ARG  52          2HD       ARG  52 -11.005  -6.986  -4.146
  182    HE   ARG  52           HE       ARG  52  -9.623  -4.493  -4.847
  183   1HH1  ARG  52          1HH1      ARG  52 -12.181  -6.800  -5.411
  184   2HH1  ARG  52          2HH1      ARG  52 -13.035  -5.785  -6.525
  185   1HH2  ARG  52          1HH2      ARG  52 -10.725  -3.138  -6.322
  186   2HH2  ARG  52          2HH2      ARG  52 -12.208  -3.696  -7.054
  187    H    ASP  53           H        ASP  53  -9.134 -10.223  -3.020
  188    HA   ASP  53           HA       ASP  53  -9.185 -11.964  -0.648
  189   1HB   ASP  53          1HB       ASP  53  -9.991 -12.977  -2.767
  190   2HB   ASP  53          2HB       ASP  53  -8.418 -12.661  -3.494
  191    HA   PRO  54           HA       PRO  54  -5.103 -10.712   0.405
  192   1HB   PRO  54          1HB       PRO  54  -4.895 -13.503   1.418
  193   2HB   PRO  54          2HB       PRO  54  -4.585 -11.976   2.249
  194   1HG   PRO  54          1HG       PRO  54  -6.800 -13.352   2.741
  195   2HG   PRO  54          2HG       PRO  54  -6.835 -11.581   2.643
  196   1HD   PRO  54          1HD       PRO  54  -7.738 -13.610   0.644
  197   2HD   PRO  54          2HD       PRO  54  -8.455 -12.041   1.063
  198    H    LYS  55           H        LYS  55  -5.705 -13.513  -1.583
  199    HA   LYS  55           HA       LYS  55  -2.860 -13.520  -2.352
  200   1HB   LYS  55          1HB       LYS  55  -4.768 -15.858  -2.292
  201   2HB   LYS  55          2HB       LYS  55  -3.149 -15.912  -2.974
  202   1HG   LYS  55          1HG       LYS  55  -2.337 -15.176  -0.670
  203   2HG   LYS  55          2HG       LYS  55  -3.958 -15.585  -0.106
  204   1HD   LYS  55          1HD       LYS  55  -2.033 -17.453  -1.496
  205   2HD   LYS  55          2HD       LYS  55  -2.416 -17.451   0.225
  206   1HE   LYS  55          1HE       LYS  55  -4.391 -17.966  -1.998
  207   2HE   LYS  55          2HE       LYS  55  -3.612 -19.211  -1.021
  208   1HZ   LYS  55          1HZ       LYS  55  -5.755 -18.805  -0.124
  209   2HZ   LYS  55          2HZ       LYS  55  -5.510 -17.128  -0.094
  210   3HZ   LYS  55          3HZ       LYS  55  -4.632 -18.130   0.955
  211    H    GLN  56           H        GLN  56  -5.518 -12.254  -3.470
  212    HA   GLN  56           HA       GLN  56  -5.373 -13.239  -6.203
  213   1HB   GLN  56          1HB       GLN  56  -6.993 -11.105  -4.845
  214   2HB   GLN  56          2HB       GLN  56  -6.913 -11.188  -6.596
  215   1HG   GLN  56          1HG       GLN  56  -7.891 -13.372  -4.772
  216   2HG   GLN  56          2HG       GLN  56  -8.900 -12.285  -5.724
  217   1HE2  GLN  56          1HE2      GLN  56  -6.816 -15.032  -5.769
  218   2HE2  GLN  56          2HE2      GLN  56  -7.133 -15.511  -7.406
  219    H    VAL  57           H        VAL  57  -3.687 -11.111  -4.281
  220    HA   VAL  57           HA       VAL  57  -3.079  -9.185  -6.367
  221    HB   VAL  57           HB       VAL  57  -1.648  -8.301  -4.685
  222   1HG1  VAL  57          1HG1      VAL  57  -3.605  -7.295  -3.588
  223   2HG1  VAL  57          2HG1      VAL  57  -4.630  -8.568  -4.251
  224   3HG1  VAL  57          3HG1      VAL  57  -3.842  -7.420  -5.332
  225   1HG2  VAL  57          1HG2      VAL  57  -2.090  -8.942  -2.409
  226   2HG2  VAL  57          2HG2      VAL  57  -1.513 -10.354  -3.297
  227   3HG2  VAL  57          3HG2      VAL  57  -3.230 -10.180  -2.933
  228    H    ILE  58           H        ILE  58  -2.166 -11.643  -7.122
  229    HA   ILE  58           HA       ILE  58   0.700 -11.565  -6.513
  230    HB   ILE  58           HB       ILE  58  -0.888 -13.589  -7.796
  231   1HG1  ILE  58          1HG1      ILE  58  -1.461 -13.283  -5.435
  232   2HG1  ILE  58          2HG1      ILE  58  -0.603 -14.795  -5.704
  233   1HG2  ILE  58          1HG2      ILE  58   1.989 -13.541  -6.888
  234   2HG2  ILE  58          2HG2      ILE  58   1.423 -13.617  -8.557
  235   3HG2  ILE  58          3HG2      ILE  58   1.122 -14.966  -7.462
  236   1HD1  ILE  58          1HD1      ILE  58   0.129 -13.654  -3.670
  237   2HD1  ILE  58          2HD1      ILE  58   0.629 -12.265  -4.637
  238   3HD1  ILE  58          3HD1      ILE  58   1.437 -13.820  -4.841
  239    H    GLY  59           H        GLY  59   2.187 -11.131  -8.008
  240   1HA   GLY  59          1HA       GLY  59   3.111 -10.576 -10.043
  241   2HA   GLY  59          2HA       GLY  59   1.721 -11.330 -10.817
  242    H    LYS  60           H        LYS  60   1.169  -8.895  -8.433
  243    HA   LYS  60           HA       LYS  60   0.240  -7.150 -10.606
  244   1HB   LYS  60          1HB       LYS  60  -1.186  -8.197  -8.187
  245   2HB   LYS  60          2HB       LYS  60  -1.673  -6.659  -8.911
  246   1HG   LYS  60          1HG       LYS  60  -1.912  -7.869 -11.090
  247   2HG   LYS  60          2HG       LYS  60  -1.645  -9.372 -10.206
  248   1HD   LYS  60          1HD       LYS  60  -3.620  -8.985  -8.871
  249   2HD   LYS  60          2HD       LYS  60  -3.856  -7.404  -9.622
  250   1HE   LYS  60          1HE       LYS  60  -3.968 -10.078 -11.019
  251   2HE   LYS  60          2HE       LYS  60  -5.349  -9.063 -10.608
  252   1HZ   LYS  60          1HZ       LYS  60  -4.696  -8.822 -12.934
  253   2HZ   LYS  60          2HZ       LYS  60  -3.153  -8.300 -12.467
  254   3HZ   LYS  60          3HZ       LYS  60  -4.518  -7.360 -12.093
  255    H    ASN  61           H        ASN  61   0.126  -4.937 -10.147
  256    HA   ASN  61           HA       ASN  61   1.919  -4.118  -7.961
  257   1HB   ASN  61          1HB       ASN  61   2.598  -3.565 -10.304
  258   2HB   ASN  61          2HB       ASN  61   1.143  -2.589 -10.462
  259   1HD2  ASN  61          1HD2      ASN  61   4.128  -2.066 -10.465
  260   2HD2  ASN  61          2HD2      ASN  61   4.319  -0.733  -9.378
  261    H    PHE  62           H        PHE  62   1.055  -3.122  -6.284
  262    HA   PHE  62           HA       PHE  62  -1.670  -2.818  -5.896
  263   1HB   PHE  62          1HB       PHE  62  -0.166  -2.959  -4.023
  264   2HB   PHE  62          2HB       PHE  62   0.649  -1.475  -4.499
  265    HD1  PHE  62           HD1      PHE  62  -0.053   0.584  -3.667
  266    HD2  PHE  62           HD2      PHE  62  -2.619  -2.797  -3.339
  267    HE1  PHE  62           HE1      PHE  62  -1.580   1.886  -2.243
  268    HE2  PHE  62           HE2      PHE  62  -4.154  -1.500  -1.916
  269    HZ   PHE  62           HZ       PHE  62  -3.636   0.846  -1.366
  270    H    PHE  63           H        PHE  63   0.687  -0.424  -6.961
  271    HA   PHE  63           HA       PHE  63  -1.148   1.767  -6.670
  272   1HB   PHE  63          1HB       PHE  63   1.531   1.655  -8.065
  273   2HB   PHE  63          2HB       PHE  63   0.657   3.116  -7.622
  274    HD1  PHE  63           HD1      PHE  63   2.612   0.283  -6.370
  275    HD2  PHE  63           HD2      PHE  63   0.629   3.909  -5.359
  276    HE1  PHE  63           HE1      PHE  63   3.721   0.276  -4.175
  277    HE2  PHE  63           HE2      PHE  63   1.743   3.911  -3.166
  278    HZ   PHE  63           HZ       PHE  63   3.348   2.121  -2.601
  279    H    LYS  64           H        LYS  64  -1.006  -0.625  -8.937
  280    HA   LYS  64           HA       LYS  64  -1.848   1.183 -11.097
  281   1HB   LYS  64          1HB       LYS  64  -0.022  -1.196 -11.362
  282   2HB   LYS  64          2HB       LYS  64  -0.655  -0.249 -12.704
  283   1HG   LYS  64          1HG       LYS  64   0.492   1.733 -11.844
  284   2HG   LYS  64          2HG       LYS  64   1.133   0.775 -10.506
  285   1HD   LYS  64          1HD       LYS  64   2.254  -0.687 -12.129
  286   2HD   LYS  64          2HD       LYS  64   1.653   0.333 -13.435
  287   1HE   LYS  64          1HE       LYS  64   3.428   1.294 -11.194
  288   2HE   LYS  64          2HE       LYS  64   4.009   0.807 -12.783
  289   1HZ   LYS  64          1HZ       LYS  64   2.539   2.561 -13.721
  290   2HZ   LYS  64          2HZ       LYS  64   3.806   3.158 -12.768
  291   3HZ   LYS  64          3HZ       LYS  64   2.230   3.100 -12.144
  292    H    ASP  65           H        ASP  65  -1.894  -2.185  -9.930
  293    HA   ASP  65           HA       ASP  65  -4.022  -2.786 -11.838
  294   1HB   ASP  65          1HB       ASP  65  -2.506  -4.577  -9.938
  295   2HB   ASP  65          2HB       ASP  65  -3.726  -5.129 -11.079
  296    H    VAL  66           H        VAL  66  -3.687  -2.110  -8.441
  297    HA   VAL  66           HA       VAL  66  -6.499  -2.951  -8.100
  298    HB   VAL  66           HB       VAL  66  -4.725  -2.947  -5.888
  299   1HG1  VAL  66          1HG1      VAL  66  -6.239  -4.766  -5.235
  300   2HG1  VAL  66          2HG1      VAL  66  -7.111  -4.569  -6.755
  301   3HG1  VAL  66          3HG1      VAL  66  -7.106  -3.265  -5.566
  302   1HG2  VAL  66          1HG2      VAL  66  -4.124  -5.264  -6.314
  303   2HG2  VAL  66          2HG2      VAL  66  -3.458  -4.194  -7.547
  304   3HG2  VAL  66          3HG2      VAL  66  -4.880  -5.172  -7.904
  305    H    ALA  67           H        ALA  67  -4.841  -0.323  -8.434
  306    HA   ALA  67           HA       ALA  67  -6.572   1.385  -7.048
  307   1HB   ALA  67          1HB       ALA  67  -5.137   2.286  -5.297
  308   2HB   ALA  67          2HB       ALA  67  -3.890   1.101  -5.688
  309   3HB   ALA  67          3HB       ALA  67  -5.438   0.570  -5.030
  310    HA   PRO  68           HA       PRO  68  -3.846   3.049 -10.438
  311   1HB   PRO  68          1HB       PRO  68  -6.381   4.164 -11.427
  312   2HB   PRO  68          2HB       PRO  68  -5.193   3.163 -12.265
  313   1HG   PRO  68          1HG       PRO  68  -7.589   2.194 -11.542
  314   2HG   PRO  68          2HG       PRO  68  -6.127   1.191 -11.514
  315   1HD   PRO  68          1HD       PRO  68  -7.540   2.541  -9.243
  316   2HD   PRO  68          2HD       PRO  68  -6.830   0.914  -9.322
  317    H    CYS  69           H        CYS  69  -5.718   4.444  -7.984
  318    HA   CYS  69           HA       CYS  69  -4.767   7.123  -8.752
  319   1HB   CYS  69          1HB       CYS  69  -6.587   8.121  -7.685
  320   2HB   CYS  69          2HB       CYS  69  -7.303   6.691  -8.414
  321    H    THR  70           H        THR  70  -3.506   4.798  -7.216
  322    HA   THR  70           HA       THR  70  -2.613   6.418  -4.930
  323    HB   THR  70           HB       THR  70  -1.327   4.595  -4.364
  324    HG1  THR  70           HG1      THR  70  -2.881   3.133  -6.237
  325   1HG2  THR  70          1HG2      THR  70  -3.457   4.993  -3.311
  326   2HG2  THR  70          2HG2      THR  70  -3.230   3.262  -3.571
  327   3HG2  THR  70          3HG2      THR  70  -4.292   4.182  -4.636
  328    H    ASP  71           H        ASP  71  -1.567   4.830  -7.903
  329    HA   ASP  71           HA       ASP  71   1.155   5.478  -7.820
  330   1HB   ASP  71          1HB       ASP  71   0.084   3.915  -9.434
  331   2HB   ASP  71          2HB       ASP  71  -0.621   5.296 -10.262
  332    H    SER  72           H        SER  72   1.826   7.468  -7.366
  333    HA   SER  72           HA       SER  72   1.302   9.669  -9.112
  334   1HB   SER  72          1HB       SER  72   0.253  11.137  -7.416
  335   2HB   SER  72          2HB       SER  72  -0.768   9.747  -7.782
  336    HG   SER  72           HG       SER  72  -0.733   9.391  -5.716
  337    HA   PRO  73           HA       PRO  73   5.277  10.840  -7.590
  338   1HB   PRO  73          1HB       PRO  73   5.062  13.587  -7.503
  339   2HB   PRO  73          2HB       PRO  73   5.383  12.648  -8.964
  340   1HG   PRO  73          1HG       PRO  73   2.807  13.799  -7.978
  341   2HG   PRO  73          2HG       PRO  73   3.442  13.714  -9.632
  342   1HD   PRO  73          1HD       PRO  73   1.547  12.021  -8.746
  343   2HD   PRO  73          2HD       PRO  73   2.795  11.512  -9.903
  344    H    GLU  74           H        GLU  74   2.439  11.904  -5.872
  345    HA   GLU  74           HA       GLU  74   4.020  12.782  -3.591
  346   1HB   GLU  74          1HB       GLU  74   1.889  13.501  -2.618
  347   2HB   GLU  74          2HB       GLU  74   2.137  14.177  -4.220
  348   1HG   GLU  74          1HG       GLU  74   0.644  12.442  -5.142
  349   2HG   GLU  74          2HG       GLU  74   0.344  11.871  -3.502
  350    H    PHE  75           H        PHE  75   2.420   9.950  -4.649
  351    HA   PHE  75           HA       PHE  75   2.566   8.892  -1.903
  352   1HB   PHE  75          1HB       PHE  75   0.262   8.971  -2.853
  353   2HB   PHE  75          2HB       PHE  75   0.790   7.884  -4.133
  354    HD1  PHE  75           HD1      PHE  75  -0.137   5.807  -3.828
  355    HD2  PHE  75           HD2      PHE  75   1.320   7.924  -0.439
  356    HE1  PHE  75           HE1      PHE  75  -0.664   3.875  -2.398
  357    HE2  PHE  75           HE2      PHE  75   0.795   5.997   0.994
  358    HZ   PHE  75           HZ       PHE  75  -0.199   3.970   0.015
  359    H    TYR  76           H        TYR  76   2.439   7.467  -5.171
  360    HA   TYR  76           HA       TYR  76   4.207   5.356  -4.553
  361   1HB   TYR  76          1HB       TYR  76   2.650   5.291  -6.470
  362   2HB   TYR  76          2HB       TYR  76   3.576   6.563  -7.259
  363    HD1  TYR  76           HD1      TYR  76   5.042   5.888  -8.913
  364    HD2  TYR  76           HD2      TYR  76   4.196   3.214  -5.711
  365    HE1  TYR  76           HE1      TYR  76   6.469   4.183  -9.964
  366    HE2  TYR  76           HE2      TYR  76   5.618   1.505  -6.753
  367    HH   TYR  76           HH       TYR  76   6.491   0.922  -8.944
  368    H    GLY  77           H        GLY  77   4.680   8.581  -5.847
  369   1HA   GLY  77          1HA       GLY  77   7.398   8.417  -6.512
  370   2HA   GLY  77          2HA       GLY  77   6.556   9.884  -6.031
  371    H    LYS  78           H        LYS  78   5.821   9.044  -3.411
  372    HA   LYS  78           HA       LYS  78   8.235   9.582  -1.995
  373   1HB   LYS  78          1HB       LYS  78   5.452   8.842  -1.108
  374   2HB   LYS  78          2HB       LYS  78   6.765   9.069   0.037
  375   1HG   LYS  78          1HG       LYS  78   5.925  11.174  -1.934
  376   2HG   LYS  78          2HG       LYS  78   5.266  11.046  -0.301
  377   1HD   LYS  78          1HD       LYS  78   7.488  11.322   0.640
  378   2HD   LYS  78          2HD       LYS  78   8.190  11.374  -0.978
  379   1HE   LYS  78          1HE       LYS  78   7.023  13.420  -1.469
  380   2HE   LYS  78          2HE       LYS  78   6.152  13.337   0.062
  381   1HZ   LYS  78          1HZ       LYS  78   8.160  13.691   1.254
  382   2HZ   LYS  78          2HZ       LYS  78   8.071  14.888   0.056
  383   3HZ   LYS  78          3HZ       LYS  78   9.104  13.560  -0.147
  384    H    PHE  79           H        PHE  79   6.262   6.731  -2.541
  385    HA   PHE  79           HA       PHE  79   7.652   4.934  -0.903
  386   1HB   PHE  79          1HB       PHE  79   5.476   4.437  -1.923
  387   2HB   PHE  79          2HB       PHE  79   6.215   4.435  -3.519
  388    HD1  PHE  79           HD1      PHE  79   6.304   2.711  -0.236
  389    HD2  PHE  79           HD2      PHE  79   7.081   2.481  -4.413
  390    HE1  PHE  79           HE1      PHE  79   6.767   0.306  -0.016
  391    HE2  PHE  79           HE2      PHE  79   7.545   0.076  -4.200
  392    HZ   PHE  79           HZ       PHE  79   7.388  -1.010  -1.998
  393    H    LYS  80           H        LYS  80   8.242   6.055  -4.166
  394    HA   LYS  80           HA       LYS  80  10.519   4.301  -4.540
  395   1HB   LYS  80          1HB       LYS  80   9.496   6.605  -6.208
  396   2HB   LYS  80          2HB       LYS  80  10.803   5.527  -6.674
  397   1HG   LYS  80          1HG       LYS  80   7.956   4.698  -6.167
  398   2HG   LYS  80          2HG       LYS  80   8.687   4.951  -7.750
  399   1HD   LYS  80          1HD       LYS  80   9.637   2.932  -5.714
  400   2HD   LYS  80          2HD       LYS  80   8.587   2.561  -7.087
  401   1HE   LYS  80          1HE       LYS  80  10.393   3.474  -8.579
  402   2HE   LYS  80          2HE       LYS  80  11.432   3.553  -7.158
  403   1HZ   LYS  80          1HZ       LYS  80  11.054   1.125  -6.884
  404   2HZ   LYS  80          2HZ       LYS  80  11.878   1.533  -8.307
  405   3HZ   LYS  80          3HZ       LYS  80  10.235   1.120  -8.371
  406    H    GLU  81           H        GLU  81   9.887   7.392  -3.254
  407    HA   GLU  81           HA       GLU  81  12.388   8.641  -3.756
  408   1HB   GLU  81          1HB       GLU  81   9.927   9.376  -2.643
  409   2HB   GLU  81          2HB       GLU  81  11.076   9.535  -1.323
  410   1HG   GLU  81          1HG       GLU  81  11.505  10.776  -4.024
  411   2HG   GLU  81          2HG       GLU  81  10.675  11.596  -2.702
  412    H    GLY  82           H        GLY  82  11.077   6.651  -1.180
  413   1HA   GLY  82          1HA       GLY  82  13.313   6.845   0.562
  414   2HA   GLY  82          2HA       GLY  82  12.092   5.577   0.581
  415    H    VAL  83           H        VAL  83  12.479   4.690  -2.097
  416    HA   VAL  83           HA       VAL  83  14.583   2.837  -1.754
  417    HB   VAL  83           HB       VAL  83  13.386   3.746  -4.204
  418   1HG1  VAL  83          1HG1      VAL  83  15.380   2.388  -4.496
  419   2HG1  VAL  83          2HG1      VAL  83  13.938   1.457  -4.904
  420   3HG1  VAL  83          3HG1      VAL  83  14.752   1.194  -3.360
  421   1HG2  VAL  83          1HG2      VAL  83  11.657   3.185  -2.613
  422   2HG2  VAL  83          2HG2      VAL  83  12.479   1.672  -2.227
  423   3HG2  VAL  83          3HG2      VAL  83  11.805   1.926  -3.838
  424    H    ALA  84           H        ALA  84  14.277   5.660  -3.905
  425    HA   ALA  84           HA       ALA  84  16.850   5.633  -4.982
  426   1HB   ALA  84          1HB       ALA  84  15.160   8.057  -4.380
  427   2HB   ALA  84          2HB       ALA  84  14.998   7.031  -5.806
  428   3HB   ALA  84          3HB       ALA  84  16.477   7.958  -5.548
  429    H    SER  85           H        SER  85  15.669   6.978  -1.960
  430    HA   SER  85           HA       SER  85  18.037   8.255  -1.121
  431   1HB   SER  85          1HB       SER  85  15.780   8.588  -0.123
  432   2HB   SER  85          2HB       SER  85  15.905   6.969   0.560
  433    HG   SER  85           HG       SER  85  18.095   8.472   1.156
  434    H    GLY  86           H        GLY  86  16.643   5.330   0.236
  435   1HA   GLY  86          1HA       GLY  86  18.980   3.718  -0.089
  436   2HA   GLY  86          2HA       GLY  86  18.795   4.292   1.572
  437    H    ASN  87           H        ASN  87  16.523   4.114   2.410
  438    HA   ASN  87           HA       ASN  87  14.666   2.412   1.110
  439   1HB   ASN  87          1HB       ASN  87  16.145   1.363   3.491
  440   2HB   ASN  87          2HB       ASN  87  14.432   0.996   3.334
  441   1HD2  ASN  87          1HD2      ASN  87  14.632   0.925   0.355
  442   2HD2  ASN  87          2HD2      ASN  87  15.425  -0.558  -0.013
  443    H    LEU  88           H        LEU  88  12.644   2.158   2.758
  444    HA   LEU  88           HA       LEU  88  12.455   4.820   3.856
  445   1HB   LEU  88          1HB       LEU  88  10.162   5.081   2.863
  446   2HB   LEU  88          2HB       LEU  88  11.511   5.253   1.769
  447    HG   LEU  88           HG       LEU  88   9.570   4.109   0.770
  448   1HD1  LEU  88          1HD1      LEU  88  11.952   2.294   0.993
  449   2HD1  LEU  88          2HD1      LEU  88  11.820   3.682  -0.084
  450   3HD1  LEU  88          3HD1      LEU  88  10.743   2.301  -0.287
  451   1HD2  LEU  88          1HD2      LEU  88  10.129   1.928   2.763
  452   2HD2  LEU  88          2HD2      LEU  88   9.034   1.804   1.386
  453   3HD2  LEU  88          3HD2      LEU  88   8.688   2.942   2.688
  454    H    ASN  89           H        ASN  89  10.839   5.201   5.315
  455    HA   ASN  89           HA       ASN  89   9.119   3.161   6.246
  456   1HB   ASN  89          1HB       ASN  89  10.116   2.895   8.466
  457   2HB   ASN  89          2HB       ASN  89  11.151   2.270   7.212
  458   1HD2  ASN  89          1HD2      ASN  89  12.948   2.375   8.524
  459   2HD2  ASN  89          2HD2      ASN  89  13.716   3.871   8.935
  460    H    THR  90           H        THR  90   8.524   5.447   5.285
  461    HA   THR  90           HA       THR  90   8.264   7.362   7.475
  462    HB   THR  90           HB       THR  90   7.475   8.725   5.653
  463    HG1  THR  90           HG1      THR  90   7.231   7.169   4.045
  464   1HG2  THR  90          1HG2      THR  90   9.584   9.033   6.795
  465   2HG2  THR  90          2HG2      THR  90   9.796   9.237   5.057
  466   3HG2  THR  90          3HG2      THR  90  10.314   7.743   5.837
  467    H    MET  91           H        MET  91   6.275   8.582   7.539
  468    HA   MET  91           HA       MET  91   3.930   7.000   6.750
  469   1HB   MET  91          1HB       MET  91   2.737   7.966   8.665
  470   2HB   MET  91          2HB       MET  91   4.165   7.086   9.182
  471   1HG   MET  91          1HG       MET  91   4.029  10.077   8.881
  472   2HG   MET  91          2HG       MET  91   3.771   9.213  10.395
  473   1HE   MET  91          1HE       MET  91   5.644   7.894  11.691
  474   2HE   MET  91          2HE       MET  91   7.281   7.655  11.082
  475   3HE   MET  91          3HE       MET  91   5.917   6.888  10.268
  476    H    PHE  92           H        PHE  92   2.635   7.904   5.307
  477    HA   PHE  92           HA       PHE  92   2.711  10.845   4.998
  478   1HB   PHE  92          1HB       PHE  92   3.672   9.452   3.095
  479   2HB   PHE  92          2HB       PHE  92   2.048   8.832   2.849
  480    HD1  PHE  92           HD1      PHE  92   0.576   9.929   1.443
  481    HD2  PHE  92           HD2      PHE  92   3.969  12.002   2.957
  482    HE1  PHE  92           HE1      PHE  92   0.056  11.839  -0.018
  483    HE2  PHE  92           HE2      PHE  92   3.459  13.914   1.497
  484    HZ   PHE  92           HZ       PHE  92   1.501  13.801  -0.036
  485    H    GLU  93           H        GLU  93   0.689  11.828   4.348
  486    HA   GLU  93           HA       GLU  93  -1.648  10.283   5.235
  487   1HB   GLU  93          1HB       GLU  93  -1.115  13.243   5.127
  488   2HB   GLU  93          2HB       GLU  93  -2.754  12.618   5.228
  489   1HG   GLU  93          1HG       GLU  93  -2.095  13.162   7.421
  490   2HG   GLU  93          2HG       GLU  93  -2.057  11.405   7.310
  491    H    TYR  94           H        TYR  94  -2.753   9.398   3.665
  492    HA   TYR  94           HA       TYR  94  -3.103  10.861   1.145
  493   1HB   TYR  94          1HB       TYR  94  -1.205   9.081   1.125
  494   2HB   TYR  94          2HB       TYR  94  -2.514   7.907   1.153
  495    HD1  TYR  94           HD1      TYR  94  -3.392   7.160  -0.848
  496    HD2  TYR  94           HD2      TYR  94  -1.367  10.902  -0.779
  497    HE1  TYR  94           HE1      TYR  94  -3.637   7.331  -3.287
  498    HE2  TYR  94           HE2      TYR  94  -1.604  11.080  -3.221
  499    HH   TYR  94           HH       TYR  94  -2.036   9.806  -5.142
  500    H    THR  95           H        THR  95  -5.080  10.451   0.129
  501    HA   THR  95           HA       THR  95  -6.964   8.964   1.805
  502    HB   THR  95           HB       THR  95  -8.559  10.113   0.415
  503    HG1  THR  95           HG1      THR  95  -7.821  11.773  -0.756
  504   1HG2  THR  95          1HG2      THR  95  -8.419  12.046   1.904
  505   2HG2  THR  95          2HG2      THR  95  -6.794  11.559   2.381
  506   3HG2  THR  95          3HG2      THR  95  -8.174  10.535   2.780
  507    H    PHE  96           H        PHE  96  -8.609   7.690   0.814
  508    HA   PHE  96           HA       PHE  96  -7.848   6.670  -1.849
  509   1HB   PHE  96          1HB       PHE  96  -9.144   5.206   0.461
  510   2HB   PHE  96          2HB       PHE  96  -8.903   4.527  -1.144
  511    HD1  PHE  96           HD1      PHE  96  -6.267   5.121  -1.916
  512    HD2  PHE  96           HD2      PHE  96  -7.719   4.284   1.996
  513    HE1  PHE  96           HE1      PHE  96  -4.024   4.363  -1.248
  514    HE2  PHE  96           HE2      PHE  96  -5.479   3.523   2.669
  515    HZ   PHE  96           HZ       PHE  96  -3.637   3.531   1.044
  516    H    ASP  97           H        ASP  97  -9.173   7.622  -3.229
  517    HA   ASP  97           HA       ASP  97 -12.059   7.402  -2.794
  518   1HB   ASP  97          1HB       ASP  97 -11.484   9.648  -2.052
  519   2HB   ASP  97          2HB       ASP  97 -10.601   9.941  -3.548
  520    H    TYR  98           H        TYR  98 -12.398   5.960  -4.383
  521    HA   TYR  98           HA       TYR  98 -12.652   6.676  -7.035
  522   1HB   TYR  98          1HB       TYR  98 -10.151   6.815  -7.009
  523   2HB   TYR  98          2HB       TYR  98 -10.098   5.102  -6.615
  524    HD1  TYR  98           HD1      TYR  98 -10.351   3.447  -8.302
  525    HD2  TYR  98           HD2      TYR  98 -11.026   7.542  -9.220
  526    HE1  TYR  98           HE1      TYR  98 -10.402   2.896 -10.699
  527    HE2  TYR  98           HE2      TYR  98 -11.076   7.008 -11.614
  528    HH   TYR  98           HH       TYR  98 -11.448   3.941 -12.810
  529    H    GLN  99           H        GLN  99 -11.097   3.725  -5.763
  530    HA   GLN  99           HA       GLN  99 -13.536   2.228  -6.435
  531   1HB   GLN  99          1HB       GLN  99 -10.700   1.320  -5.919
  532   2HB   GLN  99          2HB       GLN  99 -12.052   0.202  -6.057
  533   1HG   GLN  99          1HG       GLN  99 -11.145   2.129  -8.185
  534   2HG   GLN  99          2HG       GLN  99 -10.812   0.397  -8.149
  535   1HE2  GLN  99          1HE2      GLN  99 -13.282   2.834  -8.573
  536   2HE2  GLN  99          2HE2      GLN  99 -14.457   1.797  -9.295
  537    H    MET 100           H        MET 100 -12.382   3.886  -4.031
  538    HA   MET 100           HA       MET 100 -13.771   2.318  -1.993
  539   1HB   MET 100          1HB       MET 100 -11.335   1.977  -1.673
  540   2HB   MET 100          2HB       MET 100 -11.112   3.720  -1.618
  541   1HG   MET 100          1HG       MET 100 -11.065   2.750   0.602
  542   2HG   MET 100          2HG       MET 100 -12.424   3.854   0.413
  543   1HE   MET 100          1HE       MET 100 -12.132   0.198  -0.990
  544   2HE   MET 100          2HE       MET 100 -12.859  -0.741   0.313
  545   3HE   MET 100          3HE       MET 100 -11.318   0.076   0.569
  546    H    THR 101           H        THR 101 -15.124   3.609  -0.755
  547    HA   THR 101           HA       THR 101 -15.520   6.300  -1.469
  548    HB   THR 101           HB       THR 101 -16.414   6.342   0.861
  549    HG1  THR 101           HG1      THR 101 -15.557   4.274   1.442
  550   1HG2  THR 101          1HG2      THR 101 -18.484   5.500  -0.100
  551   2HG2  THR 101          2HG2      THR 101 -17.585   4.823  -1.458
  552   3HG2  THR 101          3HG2      THR 101 -17.647   6.570  -1.226
  553    HA   PRO 102           HA       PRO 102 -12.177   8.473  -0.072
  554   1HB   PRO 102          1HB       PRO 102 -13.328  10.591   1.334
  555   2HB   PRO 102          2HB       PRO 102 -13.053  10.523  -0.407
  556   1HG   PRO 102          1HG       PRO 102 -15.533   9.944   1.143
  557   2HG   PRO 102          2HG       PRO 102 -15.348  10.747  -0.428
  558   1HD   PRO 102          1HD       PRO 102 -16.192   8.224  -0.283
  559   2HD   PRO 102          2HD       PRO 102 -15.069   8.731  -1.563
  560    H    THR 103           H        THR 103 -11.428   6.831   1.404
  561    HA   THR 103           HA       THR 103 -11.827   7.447   4.212
  562    HB   THR 103           HB       THR 103  -9.974   5.861   4.367
  563    HG1  THR 103           HG1      THR 103  -9.953   4.468   2.551
  564   1HG2  THR 103          1HG2      THR 103 -11.632   4.070   4.281
  565   2HG2  THR 103          2HG2      THR 103 -12.753   5.157   3.460
  566   3HG2  THR 103          3HG2      THR 103 -12.246   5.496   5.115
  567    H    LYS 104           H        LYS 104 -10.313   8.312   5.571
  568    HA   LYS 104           HA       LYS 104  -8.003   9.591   4.268
  569   1HB   LYS 104          1HB       LYS 104  -8.809  10.531   6.954
  570   2HB   LYS 104          2HB       LYS 104  -8.296  11.454   5.551
  571   1HG   LYS 104          1HG       LYS 104 -10.454  12.147   5.713
  572   2HG   LYS 104          2HG       LYS 104 -10.672  10.759   4.646
  573   1HD   LYS 104          1HD       LYS 104 -12.285  10.264   6.175
  574   2HD   LYS 104          2HD       LYS 104 -10.916   9.505   6.983
  575   1HE   LYS 104          1HE       LYS 104 -12.088  12.226   7.556
  576   2HE   LYS 104          2HE       LYS 104 -12.165  10.800   8.586
  577   1HZ   LYS 104          1HZ       LYS 104 -10.492  12.217   9.441
  578   2HZ   LYS 104          2HZ       LYS 104  -9.774  12.423   7.924
  579   3HZ   LYS 104          3HZ       LYS 104  -9.676  10.924   8.709
  580    H    VAL 105           H        VAL 105  -6.222   8.407   4.646
  581    HA   VAL 105           HA       VAL 105  -5.915   7.274   7.335
  582    HB   VAL 105           HB       VAL 105  -4.834   5.463   6.409
  583   1HG1  VAL 105          1HG1      VAL 105  -7.135   5.360   7.190
  584   2HG1  VAL 105          2HG1      VAL 105  -6.919   4.346   5.763
  585   3HG1  VAL 105          3HG1      VAL 105  -7.709   5.915   5.616
  586   1HG2  VAL 105          1HG2      VAL 105  -4.230   6.349   4.244
  587   2HG2  VAL 105          2HG2      VAL 105  -5.934   6.511   3.814
  588   3HG2  VAL 105          3HG2      VAL 105  -5.236   4.911   4.070
  589    H    LYS 106           H        LYS 106  -3.771   6.666   7.888
  590    HA   LYS 106           HA       LYS 106  -1.694   8.320   6.636
  591   1HB   LYS 106          1HB       LYS 106  -2.080   8.706   9.044
  592   2HB   LYS 106          2HB       LYS 106  -1.818   6.999   9.364
  593   1HG   LYS 106          1HG       LYS 106   0.505   7.238   8.567
  594   2HG   LYS 106          2HG       LYS 106   0.222   8.967   8.349
  595   1HD   LYS 106          1HD       LYS 106  -0.005   7.461  10.960
  596   2HD   LYS 106          2HD       LYS 106   1.345   8.491  10.481
  597   1HE   LYS 106          1HE       LYS 106  -1.498   9.462  10.688
  598   2HE   LYS 106          2HE       LYS 106  -0.340   9.560  12.014
  599   1HZ   LYS 106          1HZ       LYS 106   1.034  11.002  10.761
  600   2HZ   LYS 106          2HZ       LYS 106  -0.546  11.611  10.631
  601   3HZ   LYS 106          3HZ       LYS 106   0.142  10.756   9.338
  602    H    VAL 107           H        VAL 107  -0.164   7.263   5.482
  603    HA   VAL 107           HA       VAL 107  -0.308   4.345   5.580
  604    HB   VAL 107           HB       VAL 107  -0.957   5.153   3.635
  605   1HG1  VAL 107          1HG1      VAL 107   0.552   6.455   2.173
  606   2HG1  VAL 107          2HG1      VAL 107   1.635   6.681   3.547
  607   3HG1  VAL 107          3HG1      VAL 107   0.003   7.350   3.588
  608   1HG2  VAL 107          1HG2      VAL 107   0.286   3.115   3.594
  609   2HG2  VAL 107          2HG2      VAL 107   1.809   4.000   3.517
  610   3HG2  VAL 107          3HG2      VAL 107   0.678   4.072   2.166
  611    H    HIS 108           H        HIS 108   1.237   3.431   6.599
  612    HA   HIS 108           HA       HIS 108   3.835   4.787   6.811
  613   1HB   HIS 108          1HB       HIS 108   2.469   4.183   8.895
  614   2HB   HIS 108          2HB       HIS 108   2.837   2.505   8.523
  615    HD1  HIS 108           HD1      HIS 108   3.952   2.660  10.978
  616    HD2  HIS 108           HD2      HIS 108   5.892   4.726   7.933
  617    HE1  HIS 108           HE1      HIS 108   6.256   3.147  11.854
  618    HE2  HIS 108           HE2      HIS 108   7.332   4.584  10.087
  619    H    MET 109           H        MET 109   5.082   4.091   5.197
  620    HA   MET 109           HA       MET 109   4.998   1.233   4.487
  621   1HB   MET 109          1HB       MET 109   6.036   1.858   2.368
  622   2HB   MET 109          2HB       MET 109   4.586   2.810   2.636
  623   1HG   MET 109          1HG       MET 109   7.330   3.858   3.250
  624   2HG   MET 109          2HG       MET 109   6.595   4.000   1.654
  625   1HE   MET 109          1HE       MET 109   3.562   4.522   2.263
  626   2HE   MET 109          2HE       MET 109   4.494   5.475   1.108
  627   3HE   MET 109          3HE       MET 109   3.514   6.283   2.331
  628    H    LYS 110           H        LYS 110   6.762  -0.081   4.843
  629    HA   LYS 110           HA       LYS 110   9.179   1.215   5.907
  630   1HB   LYS 110          1HB       LYS 110   7.719  -0.987   7.376
  631   2HB   LYS 110          2HB       LYS 110   9.201  -0.196   7.882
  632   1HG   LYS 110          1HG       LYS 110   7.920   1.931   8.064
  633   2HG   LYS 110          2HG       LYS 110   6.452   1.004   7.743
  634   1HD   LYS 110          1HD       LYS 110   8.347   0.676  10.065
  635   2HD   LYS 110          2HD       LYS 110   6.686   1.268  10.118
  636   1HE   LYS 110          1HE       LYS 110   5.876  -0.919   9.394
  637   2HE   LYS 110          2HE       LYS 110   7.534  -1.512   9.307
  638   1HZ   LYS 110          1HZ       LYS 110   6.461  -2.190  11.358
  639   2HZ   LYS 110          2HZ       LYS 110   6.153  -0.573  11.763
  640   3HZ   LYS 110          3HZ       LYS 110   7.752  -1.136  11.684
  641    H    LYS 111           H        LYS 111  10.935  -0.438   6.275
  642    HA   LYS 111           HA       LYS 111  10.881  -2.251   3.971
  643   1HB   LYS 111          1HB       LYS 111  12.802  -0.505   4.960
  644   2HB   LYS 111          2HB       LYS 111  13.383  -2.078   5.479
  645   1HG   LYS 111          1HG       LYS 111  12.771  -1.231   2.659
  646   2HG   LYS 111          2HG       LYS 111  14.361  -1.482   3.369
  647   1HD   LYS 111          1HD       LYS 111  13.857  -3.851   3.697
  648   2HD   LYS 111          2HD       LYS 111  12.263  -3.607   2.983
  649   1HE   LYS 111          1HE       LYS 111  13.677  -4.529   1.302
  650   2HE   LYS 111          2HE       LYS 111  13.397  -2.838   0.899
  651   1HZ   LYS 111          1HZ       LYS 111  15.710  -3.471   0.592
  652   2HZ   LYS 111          2HZ       LYS 111  15.831  -3.910   2.219
  653   3HZ   LYS 111          3HZ       LYS 111  15.570  -2.293   1.804
  654    H    ALA 112           H        ALA 112  11.417  -4.395   4.112
  655    HA   ALA 112           HA       ALA 112  11.863  -5.568   6.757
  656   1HB   ALA 112          1HB       ALA 112  10.353  -7.431   6.213
  657   2HB   ALA 112          2HB       ALA 112   9.887  -6.606   4.725
  658   3HB   ALA 112          3HB       ALA 112   9.499  -5.890   6.290
  659    H    LEU 113           H        LEU 113  13.772  -6.538   6.642
  660    HA   LEU 113           HA       LEU 113  14.856  -7.286   4.052
  661   1HB   LEU 113          1HB       LEU 113  16.115  -6.008   5.827
  662   2HB   LEU 113          2HB       LEU 113  16.178  -7.496   6.752
  663    HG   LEU 113           HG       LEU 113  17.467  -8.567   4.954
  664   1HD1  LEU 113          1HD1      LEU 113  17.372  -5.854   3.633
  665   2HD1  LEU 113          2HD1      LEU 113  16.550  -7.309   3.066
  666   3HD1  LEU 113          3HD1      LEU 113  18.312  -7.243   3.086
  667   1HD2  LEU 113          1HD2      LEU 113  18.619  -5.921   5.838
  668   2HD2  LEU 113          2HD2      LEU 113  19.536  -7.310   5.253
  669   3HD2  LEU 113          3HD2      LEU 113  18.642  -7.420   6.769
  670    H    SER 114           H        SER 114  12.659  -8.817   5.166
  671    HA   SER 114           HA       SER 114  13.703 -11.404   5.855
  672   1HB   SER 114          1HB       SER 114  11.234 -12.029   5.357
  673   2HB   SER 114          2HB       SER 114  11.555 -10.955   6.721
  674    HG   SER 114           HG       SER 114   9.900 -10.072   5.498
  675    H    GLY 115           H        GLY 115  11.849 -10.169   3.085
  676   1HA   GLY 115          1HA       GLY 115  13.468 -11.904   1.325
  677   2HA   GLY 115          2HA       GLY 115  11.730 -11.722   1.107
  678    H    ASP 116           H        ASP 116  13.513  -9.011   2.166
  679    HA   ASP 116           HA       ASP 116  13.920  -6.966   1.318
  680   1HB   ASP 116          1HB       ASP 116  15.606  -8.125  -0.019
  681   2HB   ASP 116          2HB       ASP 116  14.404  -8.474  -1.258
  682    H    SER 117           H        SER 117  11.696  -6.516   1.730
  683    HA   SER 117           HA       SER 117  10.481  -5.269  -0.515
  684   1HB   SER 117          1HB       SER 117   8.628  -7.147   0.940
  685   2HB   SER 117          2HB       SER 117   8.431  -6.414  -0.661
  686    HG   SER 117           HG       SER 117  10.456  -7.810  -1.079
  687    H    TYR 118           H        TYR 118   8.024  -4.574   0.683
  688    HA   TYR 118           HA       TYR 118   8.958  -3.259   3.131
  689   1HB   TYR 118          1HB       TYR 118   7.209  -2.100   0.938
  690   2HB   TYR 118          2HB       TYR 118   7.737  -1.266   2.397
  691    HD1  TYR 118           HD1      TYR 118   8.637  -2.324  -0.937
  692    HD2  TYR 118           HD2      TYR 118  10.097  -0.650   2.683
  693    HE1  TYR 118           HE1      TYR 118  10.637  -1.529  -2.127
  694    HE2  TYR 118           HE2      TYR 118  12.106   0.159   1.500
  695    HH   TYR 118           HH       TYR 118  13.381  -0.299  -0.489
  696    H    TRP 119           H        TRP 119   7.430  -3.018   4.725
  697    HA   TRP 119           HA       TRP 119   4.829  -4.287   4.241
  698   1HB   TRP 119          1HB       TRP 119   6.403  -3.779   6.753
  699   2HB   TRP 119          2HB       TRP 119   4.660  -4.012   6.825
  700    HD1  TRP 119           HD1      TRP 119   7.904  -5.883   6.329
  701    HE1  TRP 119           HE1      TRP 119   7.433  -8.412   6.275
  702    HE3  TRP 119           HE3      TRP 119   2.805  -5.734   6.133
  703    HZ2  TRP 119           HZ2      TRP 119   5.179 -10.118   6.170
  704    HZ3  TRP 119           HZ3      TRP 119   1.564  -7.857   6.059
  705    HH2  TRP 119           HH2      TRP 119   2.728 -10.003   6.076
  706    H    VAL 120           H        VAL 120   3.466  -2.840   3.487
  707    HA   VAL 120           HA       VAL 120   3.577  -0.152   4.648
  708    HB   VAL 120           HB       VAL 120   3.641  -0.548   2.340
  709   1HG1  VAL 120          1HG1      VAL 120   1.990  -2.320   2.141
  710   2HG1  VAL 120          2HG1      VAL 120   1.520  -0.911   1.191
  711   3HG1  VAL 120          3HG1      VAL 120   0.731  -1.235   2.734
  712   1HG2  VAL 120          1HG2      VAL 120   2.117   1.322   1.881
  713   2HG2  VAL 120          2HG2      VAL 120   3.165   1.604   3.272
  714   3HG2  VAL 120          3HG2      VAL 120   1.473   1.170   3.517
  715    H    PHE 121           H        PHE 121   1.969   0.751   5.769
  716    HA   PHE 121           HA       PHE 121  -0.218  -1.054   6.555
  717   1HB   PHE 121          1HB       PHE 121   1.329   0.893   8.280
  718   2HB   PHE 121          2HB       PHE 121  -0.081  -0.016   8.809
  719    HD1  PHE 121           HD1      PHE 121   3.469  -0.154   8.031
  720    HD2  PHE 121           HD2      PHE 121   0.053  -2.414   9.179
  721    HE1  PHE 121           HE1      PHE 121   4.931  -2.015   8.696
  722    HE2  PHE 121           HE2      PHE 121   1.510  -4.280   9.845
  723    HZ   PHE 121           HZ       PHE 121   3.951  -4.082   9.604
  724    H    VAL 122           H        VAL 122  -2.202  -0.272   6.586
  725    HA   VAL 122           HA       VAL 122  -2.592   2.576   5.952
  726    HB   VAL 122           HB       VAL 122  -4.442   0.371   5.960
  727   1HG1  VAL 122          1HG1      VAL 122  -5.794   1.915   4.631
  728   2HG1  VAL 122          2HG1      VAL 122  -4.568   3.167   4.837
  729   3HG1  VAL 122          3HG1      VAL 122  -5.464   2.575   6.235
  730   1HG2  VAL 122          1HG2      VAL 122  -2.854   1.594   3.721
  731   2HG2  VAL 122          2HG2      VAL 122  -4.169   0.435   3.532
  732   3HG2  VAL 122          3HG2      VAL 122  -2.684  -0.042   4.357
  733    H    LYS 123           H        LYS 123  -2.632   3.648   7.851
  734    HA   LYS 123           HA       LYS 123  -4.249   2.548  10.049
  735   1HB   LYS 123          1HB       LYS 123  -1.904   3.057  10.601
  736   2HB   LYS 123          2HB       LYS 123  -2.147   4.723  10.091
  737   1HG   LYS 123          1HG       LYS 123  -3.892   4.929  11.868
  738   2HG   LYS 123          2HG       LYS 123  -3.415   3.328  12.438
  739   1HD   LYS 123          1HD       LYS 123  -1.131   4.151  12.803
  740   2HD   LYS 123          2HD       LYS 123  -1.622   5.750  12.243
  741   1HE   LYS 123          1HE       LYS 123  -2.604   4.296  14.694
  742   2HE   LYS 123          2HE       LYS 123  -1.597   5.743  14.646
  743   1HZ   LYS 123          1HZ       LYS 123  -4.451   5.488  13.906
  744   2HZ   LYS 123          2HZ       LYS 123  -3.519   6.827  13.458
  745   3HZ   LYS 123          3HZ       LYS 123  -3.765   6.476  15.097
  746    H    ARG 124           H        ARG 124  -6.152   3.460  10.465
  747    HA   ARG 124           HA       ARG 124  -7.157   5.542   8.834
  748   1HB   ARG 124          1HB       ARG 124  -8.266   3.617  10.423
  749   2HB   ARG 124          2HB       ARG 124  -8.550   5.066  11.377
  750   1HG   ARG 124          1HG       ARG 124  -9.284   5.820   8.830
  751   2HG   ARG 124          2HG       ARG 124  -9.843   4.151   8.952
  752   1HD   ARG 124          1HD       ARG 124 -11.633   5.425   9.742
  753   2HD   ARG 124          2HD       ARG 124 -10.833   4.839  11.201
  754    HE   ARG 124           HE       ARG 124  -9.665   7.159  11.035
  755   1HH1  ARG 124          1HH1      ARG 124 -13.016   6.387  10.404
  756   2HH1  ARG 124          2HH1      ARG 124 -13.587   7.998  10.738
  757   1HH2  ARG 124          1HH2      ARG 124 -10.393   9.291  11.454
  758   2HH2  ARG 124          2HH2      ARG 124 -12.094   9.654  11.311
  759    H    VAL 125           H        VAL 125  -7.325   7.705   9.153
  760    HA   VAL 125           HA       VAL 125  -6.773   8.731  11.829
  761    HB   VAL 125           HB       VAL 125  -4.862   8.954  10.793
  762   1HG1  VAL 125          1HG1      VAL 125  -6.325  10.266   8.512
  763   2HG1  VAL 125          2HG1      VAL 125  -5.507   8.704   8.476
  764   3HG1  VAL 125          3HG1      VAL 125  -4.572  10.184   8.696
  765   1HG2  VAL 125          1HG2      VAL 125  -6.350  11.561  10.820
  766   2HG2  VAL 125          2HG2      VAL 125  -4.596  11.381  10.798
  767   3HG2  VAL 125          3HG2      VAL 125  -5.525  10.795  12.178
  768    H2   HC4 169           H2       HC4 169  -7.718   4.504  -4.016
  769    H3   HC4 169           H3       HC4 169  -8.203   2.359  -6.018
  770    H2'  HC4 169           H2'      HC4 169  -8.532   0.097  -4.901
  771    H3'  HC4 169           H3'      HC4 169  -9.031  -1.249  -2.904
  772    H5'  HC4 169           H5'      HC4 169  -8.336   2.171  -0.462
  773    H6'  HC4 169           H6'      HC4 169  -8.008   3.535  -2.475
  Start of MODEL    8
    1    H    LEU  26           H        LEU  26 -11.830  -2.942  13.637
    2    HA   LEU  26           HA       LEU  26 -10.773  -5.131  11.951
    3   1HB   LEU  26          1HB       LEU  26 -10.404  -2.152  11.690
    4   2HB   LEU  26          2HB       LEU  26  -9.388  -3.329  10.887
    5    HG   LEU  26           HG       LEU  26 -12.299  -2.837  10.447
    6   1HD1  LEU  26          1HD1      LEU  26 -11.577  -2.184   8.190
    7   2HD1  LEU  26          2HD1      LEU  26  -9.899  -2.396   8.694
    8   3HD1  LEU  26          3HD1      LEU  26 -10.897  -1.152   9.447
    9   1HD2  LEU  26          1HD2      LEU  26 -10.504  -4.887   9.178
   10   2HD2  LEU  26          2HD2      LEU  26 -12.142  -4.508   8.652
   11   3HD2  LEU  26          3HD2      LEU  26 -11.870  -5.209  10.247
   12    H    ALA  27           H        ALA  27  -8.407  -5.187  12.065
   13    HA   ALA  27           HA       ALA  27  -7.368  -4.276  14.647
   14   1HB   ALA  27          1HB       ALA  27  -6.945  -6.614  14.075
   15   2HB   ALA  27          2HB       ALA  27  -5.433  -5.708  14.151
   16   3HB   ALA  27          3HB       ALA  27  -6.139  -6.115  12.587
   17    H    PHE  28           H        PHE  28  -6.438  -4.343  11.229
   18    HA   PHE  28           HA       PHE  28  -5.958  -1.685  10.816
   19   1HB   PHE  28          1HB       PHE  28  -3.547  -1.392  10.990
   20   2HB   PHE  28          2HB       PHE  28  -4.194  -1.834  12.561
   21    HD1  PHE  28           HD1      PHE  28  -1.862  -2.662   9.960
   22    HD2  PHE  28           HD2      PHE  28  -3.891  -4.204  13.370
   23    HE1  PHE  28           HE1      PHE  28  -0.215  -4.481  10.118
   24    HE2  PHE  28           HE2      PHE  28  -2.246  -6.024  13.532
   25    HZ   PHE  28           HZ       PHE  28  -0.404  -6.164  11.902
   26    H    GLY  29           H        GLY  29  -4.406  -1.358   8.870
   27   1HA   GLY  29          1HA       GLY  29  -4.841  -3.652   7.077
   28   2HA   GLY  29          2HA       GLY  29  -4.681  -1.976   6.571
   29    H    ALA  30           H        ALA  30  -3.128  -4.878   6.699
   30    HA   ALA  30           HA       ALA  30  -0.475  -3.605   6.661
   31   1HB   ALA  30          1HB       ALA  30  -1.140  -6.415   7.536
   32   2HB   ALA  30          2HB       ALA  30  -0.759  -5.070   8.610
   33   3HB   ALA  30          3HB       ALA  30   0.466  -5.686   7.501
   34    H    ILE  31           H        ILE  31   0.204  -3.496   4.626
   35    HA   ILE  31           HA       ILE  31  -0.212  -5.850   2.906
   36    HB   ILE  31           HB       ILE  31   0.269  -3.136   2.086
   37   1HG1  ILE  31          1HG1      ILE  31  -2.356  -4.615   2.254
   38   2HG1  ILE  31          2HG1      ILE  31  -1.852  -3.351   3.372
   39   1HG2  ILE  31          1HG2      ILE  31   0.888  -4.861   0.482
   40   2HG2  ILE  31          2HG2      ILE  31  -0.569  -4.021  -0.046
   41   3HG2  ILE  31          3HG2      ILE  31  -0.689  -5.625   0.676
   42   1HD1  ILE  31          1HD1      ILE  31  -2.287  -3.030   0.412
   43   2HD1  ILE  31          2HD1      ILE  31  -1.769  -1.760   1.519
   44   3HD1  ILE  31          3HD1      ILE  31  -3.368  -2.483   1.693
   45    H    GLN  32           H        GLN  32   1.595  -6.593   1.779
   46    HA   GLN  32           HA       GLN  32   4.116  -5.151   2.268
   47   1HB   GLN  32          1HB       GLN  32   4.052  -7.419   3.279
   48   2HB   GLN  32          2HB       GLN  32   3.739  -8.111   1.688
   49   1HG   GLN  32          1HG       GLN  32   5.907  -7.376   0.907
   50   2HG   GLN  32          2HG       GLN  32   6.213  -6.560   2.438
   51   1HE2  GLN  32          1HE2      GLN  32   8.083  -7.781   2.739
   52   2HE2  GLN  32          2HE2      GLN  32   8.027  -9.437   3.226
   53    H    LEU  33           H        LEU  33   5.299  -4.554   0.486
   54    HA   LEU  33           HA       LEU  33   4.588  -5.671  -2.080
   55   1HB   LEU  33          1HB       LEU  33   4.016  -3.688  -3.195
   56   2HB   LEU  33          2HB       LEU  33   3.054  -3.710  -1.738
   57    HG   LEU  33           HG       LEU  33   5.547  -2.059  -2.165
   58   1HD1  LEU  33          1HD1      LEU  33   3.974  -0.160  -2.186
   59   2HD1  LEU  33          2HD1      LEU  33   2.630  -1.303  -2.166
   60   3HD1  LEU  33          3HD1      LEU  33   3.736  -1.264  -3.540
   61   1HD2  LEU  33          1HD2      LEU  33   5.309  -2.572   0.174
   62   2HD2  LEU  33          2HD2      LEU  33   3.598  -2.151   0.134
   63   3HD2  LEU  33          3HD2      LEU  33   4.819  -0.899  -0.095
   64    H    ASP  34           H        ASP  34   6.080  -5.069  -3.802
   65    HA   ASP  34           HA       ASP  34   8.707  -4.378  -2.689
   66   1HB   ASP  34          1HB       ASP  34   9.684  -5.367  -4.739
   67   2HB   ASP  34          2HB       ASP  34   8.755  -6.519  -3.795
   68    H    GLY  35           H        GLY  35  10.171  -3.266  -4.354
   69   1HA   GLY  35          1HA       GLY  35   9.183  -0.652  -4.531
   70   2HA   GLY  35          2HA       GLY  35  10.677  -1.225  -5.249
   71    H    ASP  36           H        ASP  36   8.820  -3.227  -6.763
   72    HA   ASP  36           HA       ASP  36   8.458  -1.422  -9.016
   73   1HB   ASP  36          1HB       ASP  36   8.558  -4.403  -8.740
   74   2HB   ASP  36          2HB       ASP  36   7.864  -3.669 -10.186
   75    H    GLY  37           H        GLY  37   6.577  -3.065  -6.639
   76   1HA   GLY  37          1HA       GLY  37   4.427  -1.933  -6.265
   77   2HA   GLY  37          2HA       GLY  37   4.183  -2.001  -8.001
   78    H    ASN  38           H        ASN  38   5.593  -4.885  -7.067
   79    HA   ASN  38           HA       ASN  38   3.137  -6.303  -7.480
   80   1HB   ASN  38          1HB       ASN  38   5.799  -7.329  -6.464
   81   2HB   ASN  38          2HB       ASN  38   4.427  -8.341  -6.891
   82   1HD2  ASN  38          1HD2      ASN  38   7.018  -6.394  -8.039
   83   2HD2  ASN  38          2HD2      ASN  38   6.898  -6.875  -9.703
   84    H    ILE  39           H        ILE  39   1.689  -6.902  -6.034
   85    HA   ILE  39           HA       ILE  39   2.137  -6.215  -3.270
   86    HB   ILE  39           HB       ILE  39  -0.078  -7.638  -4.414
   87   1HG1  ILE  39          1HG1      ILE  39   0.413  -4.661  -4.239
   88   2HG1  ILE  39          2HG1      ILE  39   0.372  -5.612  -5.722
   89   1HG2  ILE  39          1HG2      ILE  39  -1.217  -6.515  -2.523
   90   2HG2  ILE  39          2HG2      ILE  39   0.336  -5.867  -1.993
   91   3HG2  ILE  39          3HG2      ILE  39   0.055  -7.610  -1.981
   92   1HD1  ILE  39          1HD1      ILE  39  -1.932  -5.241  -3.820
   93   2HD1  ILE  39          2HD1      ILE  39  -1.965  -6.145  -5.334
   94   3HD1  ILE  39          3HD1      ILE  39  -1.710  -4.399  -5.353
   95    H    LEU  40           H        LEU  40   2.259  -7.609  -1.571
   96    HA   LEU  40           HA       LEU  40   2.937 -10.379  -2.193
   97   1HB   LEU  40          1HB       LEU  40   3.398  -8.529   0.112
   98   2HB   LEU  40          2HB       LEU  40   3.534 -10.251   0.360
   99    HG   LEU  40           HG       LEU  40   5.705  -9.126  -0.041
  100   1HD1  LEU  40          1HD1      LEU  40   5.459 -11.494  -0.496
  101   2HD1  LEU  40          2HD1      LEU  40   6.544 -10.749  -1.671
  102   3HD1  LEU  40          3HD1      LEU  40   4.884 -11.140  -2.125
  103   1HD2  LEU  40          1HD2      LEU  40   6.269  -8.432  -2.339
  104   2HD2  LEU  40          2HD2      LEU  40   5.019  -7.422  -1.612
  105   3HD2  LEU  40          3HD2      LEU  40   4.577  -8.650  -2.796
  106    H    GLN  41           H        GLN  41   1.421  -8.971   0.676
  107    HA   GLN  41           HA       GLN  41  -1.047 -10.371   0.172
  108   1HB   GLN  41          1HB       GLN  41  -1.061 -11.613   2.275
  109   2HB   GLN  41          2HB       GLN  41   0.284 -12.126   1.267
  110   1HG   GLN  41          1HG       GLN  41   0.897  -9.989   3.189
  111   2HG   GLN  41          2HG       GLN  41   0.463 -11.543   3.896
  112   1HE2  GLN  41          1HE2      GLN  41   2.540 -11.836   4.691
  113   2HE2  GLN  41          2HE2      GLN  41   3.876 -12.248   3.671
  114    H    TYR  42           H        TYR  42  -2.739  -9.482   1.194
  115    HA   TYR  42           HA       TYR  42  -2.340  -7.108   2.825
  116   1HB   TYR  42          1HB       TYR  42  -4.784  -8.432   1.647
  117   2HB   TYR  42          2HB       TYR  42  -4.909  -7.127   2.815
  118    HD1  TYR  42           HD1      TYR  42  -5.914  -5.425   1.504
  119    HD2  TYR  42           HD2      TYR  42  -2.466  -7.440   0.070
  120    HE1  TYR  42           HE1      TYR  42  -5.710  -3.776  -0.311
  121    HE2  TYR  42           HE2      TYR  42  -2.253  -5.810  -1.753
  122    HH   TYR  42           HH       TYR  42  -3.616  -4.219  -2.972
  123    H    ASN  43           H        ASN  43  -3.259  -6.930   4.948
  124    HA   ASN  43           HA       ASN  43  -3.288  -9.297   6.527
  125   1HB   ASN  43          1HB       ASN  43  -2.777  -7.013   7.442
  126   2HB   ASN  43          2HB       ASN  43  -4.474  -6.599   7.217
  127   1HD2  ASN  43          1HD2      ASN  43  -4.740  -6.201   9.425
  128   2HD2  ASN  43          2HD2      ASN  43  -4.837  -7.518  10.577
  129    H    ALA  44           H        ALA  44  -5.153 -10.109   7.684
  130    HA   ALA  44           HA       ALA  44  -7.220 -10.850   5.954
  131   1HB   ALA  44          1HB       ALA  44  -7.234 -10.926   8.969
  132   2HB   ALA  44          2HB       ALA  44  -6.536 -12.157   7.918
  133   3HB   ALA  44          3HB       ALA  44  -8.274 -11.861   7.894
  134    H    ALA  45           H        ALA  45  -6.991  -8.268   8.304
  135    HA   ALA  45           HA       ALA  45  -9.718  -7.488   8.242
  136   1HB   ALA  45          1HB       ALA  45  -7.294  -5.829   8.901
  137   2HB   ALA  45          2HB       ALA  45  -8.151  -6.868  10.041
  138   3HB   ALA  45          3HB       ALA  45  -8.964  -5.468   9.341
  139    H    GLU  46           H        GLU  46  -6.825  -6.209   6.642
  140    HA   GLU  46           HA       GLU  46  -8.075  -4.058   5.354
  141   1HB   GLU  46          1HB       GLU  46  -5.636  -4.264   5.725
  142   2HB   GLU  46          2HB       GLU  46  -5.575  -5.549   4.529
  143   1HG   GLU  46          1HG       GLU  46  -4.820  -3.397   3.643
  144   2HG   GLU  46          2HG       GLU  46  -6.233  -4.014   2.790
  145    HE2  GLU  46           HE2      GLU  46  -7.152  -1.504   2.137
  146    H    GLY  47           H        GLY  47  -7.353  -7.344   4.238
  147   1HA   GLY  47          1HA       GLY  47  -8.224  -6.819   1.567
  148   2HA   GLY  47          2HA       GLY  47  -7.873  -8.398   2.254
  149    H    ASP  48           H        ASP  48  -9.795  -8.077   4.445
  150    HA   ASP  48           HA       ASP  48 -11.984  -9.274   3.075
  151   1HB   ASP  48          1HB       ASP  48 -11.292  -9.918   5.365
  152   2HB   ASP  48          2HB       ASP  48 -11.824  -8.345   5.948
  153    H    ILE  49           H        ILE  49 -11.547  -6.169   4.716
  154    HA   ILE  49           HA       ILE  49 -14.259  -5.361   4.306
  155    HB   ILE  49           HB       ILE  49 -11.888  -3.876   4.948
  156   1HG1  ILE  49          1HG1      ILE  49 -12.433  -5.701   6.492
  157   2HG1  ILE  49          2HG1      ILE  49 -12.646  -4.104   7.193
  158   1HG2  ILE  49          1HG2      ILE  49 -14.812  -3.172   5.151
  159   2HG2  ILE  49          2HG2      ILE  49 -13.654  -2.449   4.034
  160   3HG2  ILE  49          3HG2      ILE  49 -13.469  -2.209   5.771
  161   1HD1  ILE  49          1HD1      ILE  49 -14.837  -5.901   6.174
  162   2HD1  ILE  49          2HD1      ILE  49 -15.068  -4.288   6.851
  163   3HD1  ILE  49          3HD1      ILE  49 -14.438  -5.586   7.863
  164    H    THR  50           H        THR  50 -11.169  -4.231   2.911
  165    HA   THR  50           HA       THR  50 -12.357  -2.419   1.129
  166    HB   THR  50           HB       THR  50  -9.887  -3.826   0.794
  167    HG1  THR  50           HG1      THR  50  -9.097  -2.412   2.296
  168   1HG2  THR  50          1HG2      THR  50  -9.241  -1.736  -0.253
  169   2HG2  THR  50          2HG2      THR  50 -10.853  -1.078   0.033
  170   3HG2  THR  50          3HG2      THR  50 -10.637  -2.431  -1.076
  171    H    GLY  51           H        GLY  51 -11.100  -5.716   0.555
  172   1HA   GLY  51          1HA       GLY  51 -12.510  -7.114  -0.933
  173   2HA   GLY  51          2HA       GLY  51 -12.637  -5.702  -1.973
  174    H    ARG  52           H        ARG  52  -9.831  -7.072  -0.322
  175    HA   ARG  52           HA       ARG  52  -8.673  -7.815  -2.911
  176   1HB   ARG  52          1HB       ARG  52  -7.235  -6.212  -0.779
  177   2HB   ARG  52          2HB       ARG  52  -6.479  -6.897  -2.209
  178   1HG   ARG  52          1HG       ARG  52  -8.631  -4.788  -2.210
  179   2HG   ARG  52          2HG       ARG  52  -6.905  -4.498  -2.435
  180   1HD   ARG  52          1HD       ARG  52  -6.951  -5.931  -4.434
  181   2HD   ARG  52          2HD       ARG  52  -8.687  -6.150  -4.219
  182    HE   ARG  52           HE       ARG  52  -7.372  -3.591  -4.876
  183   1HH1  ARG  52          1HH1      ARG  52 -10.180  -5.669  -4.830
  184   2HH1  ARG  52          2HH1      ARG  52 -11.118  -4.655  -5.884
  185   1HH2  ARG  52          1HH2      ARG  52  -8.587  -2.238  -6.271
  186   2HH2  ARG  52          2HH2      ARG  52 -10.204  -2.698  -6.714
  187    H    ASP  53           H        ASP  53  -8.880  -9.967  -2.504
  188    HA   ASP  53           HA       ASP  53  -8.688 -11.182  -0.009
  189   1HB   ASP  53          1HB       ASP  53  -8.477 -12.262  -2.799
  190   2HB   ASP  53          2HB       ASP  53  -8.275 -13.311  -1.398
  191    HA   PRO  54           HA       PRO  54  -4.449 -11.499   1.064
  192   1HB   PRO  54          1HB       PRO  54  -5.220 -14.182   2.083
  193   2HB   PRO  54          2HB       PRO  54  -4.434 -12.840   2.922
  194   1HG   PRO  54          1HG       PRO  54  -6.998 -13.414   3.374
  195   2HG   PRO  54          2HG       PRO  54  -6.436 -11.732   3.303
  196   1HD   PRO  54          1HD       PRO  54  -7.920 -13.325   1.255
  197   2HD   PRO  54          2HD       PRO  54  -8.093 -11.615   1.699
  198    H    LYS  55           H        LYS  55  -3.138 -11.790  -0.564
  199    HA   LYS  55           HA       LYS  55  -1.541 -12.854  -1.763
  200   1HB   LYS  55          1HB       LYS  55  -2.834 -15.346  -0.682
  201   2HB   LYS  55          2HB       LYS  55  -1.500 -15.396  -1.827
  202   1HG   LYS  55          1HG       LYS  55  -0.190 -13.999  -0.195
  203   2HG   LYS  55          2HG       LYS  55  -1.492 -14.277   0.962
  204   1HD   LYS  55          1HD       LYS  55  -1.135 -16.666   0.844
  205   2HD   LYS  55          2HD       LYS  55   0.083 -16.452  -0.413
  206   1HE   LYS  55          1HE       LYS  55   1.441 -15.142   1.198
  207   2HE   LYS  55          2HE       LYS  55   0.250 -15.506   2.445
  208   1HZ   LYS  55          1HZ       LYS  55   2.116 -17.020   2.568
  209   2HZ   LYS  55          2HZ       LYS  55   1.881 -17.495   0.960
  210   3HZ   LYS  55          3HZ       LYS  55   0.712 -17.870   2.129
  211    H    GLN  56           H        GLN  56  -4.607 -12.499  -2.523
  212    HA   GLN  56           HA       GLN  56  -4.410 -13.781  -5.141
  213   1HB   GLN  56          1HB       GLN  56  -6.523 -12.003  -3.909
  214   2HB   GLN  56          2HB       GLN  56  -6.595 -12.585  -5.563
  215   1HG   GLN  56          1HG       GLN  56  -6.566 -14.307  -3.097
  216   2HG   GLN  56          2HG       GLN  56  -7.982 -13.911  -4.070
  217   1HE2  GLN  56          1HE2      GLN  56  -5.105 -15.801  -3.841
  218   2HE2  GLN  56          2HE2      GLN  56  -5.411 -16.816  -5.204
  219    H    VAL  57           H        VAL  57  -2.945 -11.357  -3.747
  220    HA   VAL  57           HA       VAL  57  -3.099  -9.495  -6.012
  221    HB   VAL  57           HB       VAL  57  -1.908  -8.063  -4.497
  222   1HG1  VAL  57          1HG1      VAL  57  -4.054  -7.370  -3.532
  223   2HG1  VAL  57          2HG1      VAL  57  -4.760  -8.925  -3.975
  224   3HG1  VAL  57          3HG1      VAL  57  -4.234  -7.805  -5.233
  225   1HG2  VAL  57          1HG2      VAL  57  -1.279  -9.699  -2.825
  226   2HG2  VAL  57          2HG2      VAL  57  -2.973 -10.097  -2.543
  227   3HG2  VAL  57          3HG2      VAL  57  -2.363  -8.496  -2.128
  228    H    ILE  58           H        ILE  58  -1.367 -12.007  -5.498
  229    HA   ILE  58           HA       ILE  58   1.288 -10.886  -5.354
  230    HB   ILE  58           HB       ILE  58   0.422 -13.533  -6.082
  231   1HG1  ILE  58          1HG1      ILE  58   1.248 -12.365  -3.427
  232   2HG1  ILE  58          2HG1      ILE  58  -0.385 -12.851  -3.864
  233   1HG2  ILE  58          1HG2      ILE  58   3.072 -12.394  -5.194
  234   2HG2  ILE  58          2HG2      ILE  58   2.688 -12.997  -6.806
  235   3HG2  ILE  58          3HG2      ILE  58   2.721 -14.106  -5.434
  236   1HD1  ILE  58          1HD1      ILE  58   0.332 -15.156  -4.069
  237   2HD1  ILE  58          2HD1      ILE  58   0.738 -14.518  -2.476
  238   3HD1  ILE  58          3HD1      ILE  58   1.992 -14.689  -3.704
  239    H    GLY  59           H        GLY  59   2.567 -10.331  -7.057
  240   1HA   GLY  59          1HA       GLY  59   3.219 -10.160  -9.291
  241   2HA   GLY  59          2HA       GLY  59   1.903 -11.246  -9.721
  242    H    LYS  60           H        LYS  60   0.437  -9.212  -7.784
  243    HA   LYS  60           HA       LYS  60  -0.720  -7.761 -10.010
  244   1HB   LYS  60          1HB       LYS  60  -1.511  -8.567  -7.294
  245   2HB   LYS  60          2HB       LYS  60  -2.002  -6.934  -7.725
  246   1HG   LYS  60          1HG       LYS  60  -3.041  -7.901  -9.800
  247   2HG   LYS  60          2HG       LYS  60  -2.735  -9.495  -9.106
  248   1HD   LYS  60          1HD       LYS  60  -4.077  -8.922  -7.157
  249   2HD   LYS  60          2HD       LYS  60  -4.350  -7.305  -7.803
  250   1HE   LYS  60          1HE       LYS  60  -6.295  -8.633  -8.234
  251   2HE   LYS  60          2HE       LYS  60  -5.472  -8.341  -9.766
  252   1HZ   LYS  60          1HZ       LYS  60  -5.316 -10.833  -8.150
  253   2HZ   LYS  60          2HZ       LYS  60  -4.495 -10.559  -9.607
  254   3HZ   LYS  60          3HZ       LYS  60  -6.186 -10.631  -9.588
  255    H    ASN  61           H        ASN  61  -0.320  -5.643 -10.399
  256    HA   ASN  61           HA       ASN  61   1.611  -4.353  -8.649
  257   1HB   ASN  61          1HB       ASN  61   1.708  -4.283 -11.218
  258   2HB   ASN  61          2HB       ASN  61   0.409  -3.095 -11.104
  259   1HD2  ASN  61          1HD2      ASN  61   3.749  -3.717 -10.689
  260   2HD2  ASN  61          2HD2      ASN  61   4.228  -2.113 -10.244
  261    H    PHE  62           H        PHE  62   0.932  -3.317  -6.967
  262    HA   PHE  62           HA       PHE  62  -1.613  -2.668  -6.232
  263   1HB   PHE  62          1HB       PHE  62   0.449  -2.625  -4.798
  264   2HB   PHE  62          2HB       PHE  62   0.832  -1.053  -5.487
  265    HD1  PHE  62           HD1      PHE  62  -0.438   0.911  -4.885
  266    HD2  PHE  62           HD2      PHE  62  -1.372  -2.894  -3.225
  267    HE1  PHE  62           HE1      PHE  62  -1.824   2.001  -3.170
  268    HE2  PHE  62           HE2      PHE  62  -2.759  -1.810  -1.508
  269    HZ   PHE  62           HZ       PHE  62  -2.942   0.630  -1.435
  270    H    PHE  63           H        PHE  63   0.713  -0.264  -7.514
  271    HA   PHE  63           HA       PHE  63  -1.447   1.681  -7.615
  272   1HB   PHE  63          1HB       PHE  63   0.451   3.250  -8.220
  273   2HB   PHE  63          2HB       PHE  63   0.536   2.503  -6.629
  274    HD1  PHE  63           HD1      PHE  63   1.892   2.406 -10.055
  275    HD2  PHE  63           HD2      PHE  63   2.347   1.097  -6.033
  276    HE1  PHE  63           HE1      PHE  63   4.144   1.572 -10.586
  277    HE2  PHE  63           HE2      PHE  63   4.604   0.268  -6.554
  278    HZ   PHE  63           HZ       PHE  63   5.499   0.476  -8.803
  279    H    LYS  64           H        LYS  64  -1.397  -0.500  -9.575
  280    HA   LYS  64           HA       LYS  64  -1.429   1.132 -11.999
  281   1HB   LYS  64          1HB       LYS  64   0.791   0.080 -11.886
  282   2HB   LYS  64          2HB       LYS  64   0.017  -1.492 -11.819
  283   1HG   LYS  64          1HG       LYS  64  -0.851  -1.232 -14.035
  284   2HG   LYS  64          2HG       LYS  64  -0.285   0.440 -14.102
  285   1HD   LYS  64          1HD       LYS  64   1.264  -0.916 -15.313
  286   2HD   LYS  64          2HD       LYS  64   2.025  -0.403 -13.809
  287   1HE   LYS  64          1HE       LYS  64   1.425  -2.590 -12.816
  288   2HE   LYS  64          2HE       LYS  64   0.807  -3.097 -14.387
  289   1HZ   LYS  64          1HZ       LYS  64   3.018  -2.813 -15.315
  290   2HZ   LYS  64          2HZ       LYS  64   3.067  -3.887 -14.001
  291   3HZ   LYS  64          3HZ       LYS  64   3.613  -2.291 -13.815
  292    H    ASP  65           H        ASP  65  -2.117  -1.963 -10.472
  293    HA   ASP  65           HA       ASP  65  -4.090  -2.576 -12.534
  294   1HB   ASP  65          1HB       ASP  65  -2.438  -4.314 -11.852
  295   2HB   ASP  65          2HB       ASP  65  -3.140  -4.304 -10.239
  296    H    VAL  66           H        VAL  66  -4.118  -3.141  -9.024
  297    HA   VAL  66           HA       VAL  66  -6.991  -2.770  -9.090
  298    HB   VAL  66           HB       VAL  66  -6.815  -3.477  -6.870
  299   1HG1  VAL  66          1HG1      VAL  66  -6.534  -5.804  -7.607
  300   2HG1  VAL  66          2HG1      VAL  66  -5.865  -5.212  -9.128
  301   3HG1  VAL  66          3HG1      VAL  66  -7.543  -4.869  -8.710
  302   1HG2  VAL  66          1HG2      VAL  66  -4.420  -2.946  -6.561
  303   2HG2  VAL  66          2HG2      VAL  66  -4.047  -4.281  -7.653
  304   3HG2  VAL  66          3HG2      VAL  66  -4.869  -4.594  -6.128
  305    H    ALA  67           H        ALA  67  -4.847  -0.549  -8.914
  306    HA   ALA  67           HA       ALA  67  -6.401   1.181  -7.253
  307   1HB   ALA  67          1HB       ALA  67  -5.100   0.034  -5.521
  308   2HB   ALA  67          2HB       ALA  67  -4.680   1.743  -5.624
  309   3HB   ALA  67          3HB       ALA  67  -3.608   0.527  -6.320
  310    HA   PRO  68           HA       PRO  68  -4.014   3.417 -10.441
  311   1HB   PRO  68          1HB       PRO  68  -6.044   4.393 -11.861
  312   2HB   PRO  68          2HB       PRO  68  -5.573   2.695 -11.999
  313   1HG   PRO  68          1HG       PRO  68  -7.874   3.913 -10.548
  314   2HG   PRO  68          2HG       PRO  68  -7.783   2.375 -11.423
  315   1HD   PRO  68          1HD       PRO  68  -7.556   2.729  -8.640
  316   2HD   PRO  68          2HD       PRO  68  -7.143   1.262  -9.551
  317    H    CYS  69           H        CYS  69  -6.173   4.467  -7.977
  318    HA   CYS  69           HA       CYS  69  -5.920   7.260  -8.532
  319   1HB   CYS  69          1HB       CYS  69  -6.926   7.673  -6.441
  320   2HB   CYS  69          2HB       CYS  69  -7.653   6.169  -6.985
  321    H    THR  70           H        THR  70  -3.764   4.969  -7.654
  322    HA   THR  70           HA       THR  70  -2.924   6.129  -5.218
  323    HB   THR  70           HB       THR  70  -1.837   3.881  -6.632
  324    HG1  THR  70           HG1      THR  70  -4.161   4.118  -4.988
  325   1HG2  THR  70          1HG2      THR  70  -2.153   4.587  -3.722
  326   2HG2  THR  70          2HG2      THR  70  -0.640   4.578  -4.627
  327   3HG2  THR  70          3HG2      THR  70  -1.514   3.070  -4.353
  328    H    ASP  71           H        ASP  71  -1.448   5.648  -8.401
  329    HA   ASP  71           HA       ASP  71   1.195   6.262  -7.487
  330   1HB   ASP  71          1HB       ASP  71   1.902   6.154  -9.753
  331   2HB   ASP  71          2HB       ASP  71   0.673   4.913  -9.559
  332    H    SER  72           H        SER  72   1.770   8.139  -6.744
  333    HA   SER  72           HA       SER  72   1.324  10.607  -8.131
  334   1HB   SER  72          1HB       SER  72  -0.055  10.172  -5.458
  335   2HB   SER  72          2HB       SER  72   0.070  11.717  -6.295
  336    HG   SER  72           HG       SER  72  -0.971   9.744  -7.878
  337    HA   PRO  73           HA       PRO  73   5.109  11.662  -6.108
  338   1HB   PRO  73          1HB       PRO  73   3.891  14.292  -5.426
  339   2HB   PRO  73          2HB       PRO  73   5.399  13.933  -6.279
  340   1HG   PRO  73          1HG       PRO  73   3.251  14.775  -7.609
  341   2HG   PRO  73          2HG       PRO  73   4.318  13.534  -8.290
  342   1HD   PRO  73          1HD       PRO  73   1.626  13.237  -7.033
  343   2HD   PRO  73          2HD       PRO  73   2.337  12.362  -8.406
  344    H    GLU  74           H        GLU  74   2.148  12.514  -4.371
  345    HA   GLU  74           HA       GLU  74   3.439  12.819  -1.844
  346   1HB   GLU  74          1HB       GLU  74   1.118  12.902  -0.958
  347   2HB   GLU  74          2HB       GLU  74   1.419  14.032  -2.270
  348   1HG   GLU  74          1HG       GLU  74   0.406  12.274  -3.802
  349   2HG   GLU  74          2HG       GLU  74  -0.147  11.480  -2.328
  350    H    PHE  75           H        PHE  75   2.431  10.063  -3.590
  351    HA   PHE  75           HA       PHE  75   2.646   8.452  -1.133
  352   1HB   PHE  75          1HB       PHE  75   0.315   8.462  -1.970
  353   2HB   PHE  75          2HB       PHE  75   0.880   7.843  -3.517
  354    HD1  PHE  75           HD1      PHE  75   1.585   5.527  -3.748
  355    HD2  PHE  75           HD2      PHE  75   0.213   7.040  -0.014
  356    HE1  PHE  75           HE1      PHE  75   1.343   3.225  -2.910
  357    HE2  PHE  75           HE2      PHE  75  -0.033   4.745   0.825
  358    HZ   PHE  75           HZ       PHE  75   0.531   2.832  -0.621
  359    H    TYR  76           H        TYR  76   2.462   7.679  -4.587
  360    HA   TYR  76           HA       TYR  76   4.371   5.636  -4.518
  361   1HB   TYR  76          1HB       TYR  76   2.760   5.794  -6.319
  362   2HB   TYR  76          2HB       TYR  76   3.401   7.356  -6.813
  363    HD1  TYR  76           HD1      TYR  76   4.784   7.381  -8.654
  364    HD2  TYR  76           HD2      TYR  76   4.614   3.863  -6.273
  365    HE1  TYR  76           HE1      TYR  76   6.322   6.262 -10.213
  366    HE2  TYR  76           HE2      TYR  76   6.146   2.735  -7.824
  367    HH   TYR  76           HH       TYR  76   6.948   2.875 -10.067
  368    H    GLY  77           H        GLY  77   4.690   9.086  -5.175
  369   1HA   GLY  77          1HA       GLY  77   7.353   9.128  -6.048
  370   2HA   GLY  77          2HA       GLY  77   6.536  10.453  -5.230
  371    H    LYS  78           H        LYS  78   6.039   9.334  -2.756
  372    HA   LYS  78           HA       LYS  78   8.613   9.522  -1.539
  373   1HB   LYS  78          1HB       LYS  78   5.882   8.928  -0.399
  374   2HB   LYS  78          2HB       LYS  78   7.331   9.091   0.587
  375   1HG   LYS  78          1HG       LYS  78   6.189  11.224  -1.206
  376   2HG   LYS  78          2HG       LYS  78   6.014  11.150   0.549
  377   1HD   LYS  78          1HD       LYS  78   8.367  11.424   0.866
  378   2HD   LYS  78          2HD       LYS  78   8.675  11.243  -0.861
  379   1HE   LYS  78          1HE       LYS  78   7.431  13.319  -1.281
  380   2HE   LYS  78          2HE       LYS  78   7.170  13.499   0.455
  381   1HZ   LYS  78          1HZ       LYS  78   9.472  13.795   0.814
  382   2HZ   LYS  78          2HZ       LYS  78   9.067  14.803  -0.491
  383   3HZ   LYS  78          3HZ       LYS  78   9.868  13.330  -0.768
  384    H    PHE  79           H        PHE  79   6.409   6.924  -2.295
  385    HA   PHE  79           HA       PHE  79   7.656   4.844  -0.898
  386   1HB   PHE  79          1HB       PHE  79   5.482   4.563  -1.952
  387   2HB   PHE  79          2HB       PHE  79   6.190   4.824  -3.542
  388    HD1  PHE  79           HD1      PHE  79   6.301   2.544  -0.615
  389    HD2  PHE  79           HD2      PHE  79   6.955   3.031  -4.792
  390    HE1  PHE  79           HE1      PHE  79   6.672   0.123  -0.834
  391    HE2  PHE  79           HE2      PHE  79   7.325   0.612  -5.019
  392    HZ   PHE  79           HZ       PHE  79   7.236  -0.831  -3.038
  393    H    LYS  80           H        LYS  80   8.288   6.215  -4.074
  394    HA   LYS  80           HA       LYS  80  10.418   4.339  -4.637
  395   1HB   LYS  80          1HB       LYS  80   9.605   6.859  -6.099
  396   2HB   LYS  80          2HB       LYS  80  10.756   5.665  -6.685
  397   1HG   LYS  80          1HG       LYS  80   7.854   5.118  -6.105
  398   2HG   LYS  80          2HG       LYS  80   8.524   5.449  -7.702
  399   1HD   LYS  80          1HD       LYS  80   9.494   3.190  -5.960
  400   2HD   LYS  80          2HD       LYS  80   8.168   3.010  -7.115
  401   1HE   LYS  80          1HE       LYS  80   9.752   3.861  -8.884
  402   2HE   LYS  80          2HE       LYS  80  11.040   3.711  -7.691
  403   1HZ   LYS  80          1HZ       LYS  80  10.588   1.354  -7.528
  404   2HZ   LYS  80          2HZ       LYS  80  10.874   1.762  -9.145
  405   3HZ   LYS  80          3HZ       LYS  80   9.293   1.488  -8.609
  406    H    GLU  81           H        GLU  81  10.071   7.319  -3.047
  407    HA   GLU  81           HA       GLU  81  12.635   8.433  -3.512
  408   1HB   GLU  81          1HB       GLU  81  10.575   9.620  -2.630
  409   2HB   GLU  81          2HB       GLU  81  10.892   8.856  -1.080
  410   1HG   GLU  81          1HG       GLU  81  13.074   9.978  -0.997
  411   2HG   GLU  81          2HG       GLU  81  12.705  10.767  -2.530
  412    H    GLY  82           H        GLY  82  11.309   6.248  -1.094
  413   1HA   GLY  82          1HA       GLY  82  13.677   6.121   0.505
  414   2HA   GLY  82          2HA       GLY  82  12.323   4.997   0.556
  415    H    VAL  83           H        VAL  83  12.293   4.030  -1.991
  416    HA   VAL  83           HA       VAL  83  14.214   2.019  -2.032
  417    HB   VAL  83           HB       VAL  83  12.916   3.219  -4.300
  418   1HG1  VAL  83          1HG1      VAL  83  13.998   0.461  -3.724
  419   2HG1  VAL  83          2HG1      VAL  83  14.666   1.630  -4.865
  420   3HG1  VAL  83          3HG1      VAL  83  13.079   0.919  -5.159
  421   1HG2  VAL  83          1HG2      VAL  83  11.295   2.797  -2.550
  422   2HG2  VAL  83          2HG2      VAL  83  11.924   1.162  -2.344
  423   3HG2  VAL  83          3HG2      VAL  83  11.132   1.620  -3.853
  424    H    ALA  84           H        ALA  84  14.095   5.037  -3.911
  425    HA   ALA  84           HA       ALA  84  16.453   4.530  -5.390
  426   1HB   ALA  84          1HB       ALA  84  14.676   6.040  -6.136
  427   2HB   ALA  84          2HB       ALA  84  16.253   6.832  -6.125
  428   3HB   ALA  84          3HB       ALA  84  15.089   7.158  -4.838
  429    H    SER  85           H        SER  85  16.050   5.464  -2.166
  430    HA   SER  85           HA       SER  85  18.676   6.760  -2.085
  431   1HB   SER  85          1HB       SER  85  16.600   6.556   0.110
  432   2HB   SER  85          2HB       SER  85  18.075   7.522   0.146
  433    HG   SER  85           HG       SER  85  15.698   7.925  -1.293
  434    H    GLY  86           H        GLY  86  16.992   4.715   0.289
  435   1HA   GLY  86          1HA       GLY  86  18.870   2.577   0.066
  436   2HA   GLY  86          2HA       GLY  86  19.229   3.606   1.446
  437    H    ASN  87           H        ASN  87  17.052   4.196   2.653
  438    HA   ASN  87           HA       ASN  87  15.758   1.604   3.229
  439   1HB   ASN  87          1HB       ASN  87  16.468   3.806   5.184
  440   2HB   ASN  87          2HB       ASN  87  15.626   2.314   5.587
  441   1HD2  ASN  87          1HD2      ASN  87  18.669   3.766   4.796
  442   2HD2  ASN  87          2HD2      ASN  87  19.653   2.391   5.173
  443    H    LEU  88           H        LEU  88  13.592   1.577   3.395
  444    HA   LEU  88           HA       LEU  88  12.165   4.098   2.940
  445   1HB   LEU  88          1HB       LEU  88  11.947   1.507   1.812
  446   2HB   LEU  88          2HB       LEU  88  10.487   1.791   2.737
  447    HG   LEU  88           HG       LEU  88  11.538   3.479   0.469
  448   1HD1  LEU  88          1HD1      LEU  88   9.483   2.771  -0.643
  449   2HD1  LEU  88          2HD1      LEU  88   9.078   1.761   0.744
  450   3HD1  LEU  88          3HD1      LEU  88  10.504   1.396  -0.228
  451   1HD2  LEU  88          1HD2      LEU  88   9.091   3.880   2.191
  452   2HD2  LEU  88          2HD2      LEU  88   9.495   4.805   0.744
  453   3HD2  LEU  88          3HD2      LEU  88  10.528   4.902   2.171
  454    H    ASN  89           H        ASN  89  11.157   4.961   4.670
  455    HA   ASN  89           HA       ASN  89   9.262   3.526   6.160
  456   1HB   ASN  89          1HB       ASN  89  11.192   2.552   7.285
  457   2HB   ASN  89          2HB       ASN  89  11.798   4.151   7.695
  458   1HD2  ASN  89          1HD2      ASN  89  10.961   1.767   9.286
  459   2HD2  ASN  89          2HD2      ASN  89   9.828   2.380  10.448
  460    H    THR  90           H        THR  90   7.791   4.922   6.387
  461    HA   THR  90           HA       THR  90   8.146   7.352   7.785
  462    HB   THR  90           HB       THR  90   8.992   7.887   5.690
  463    HG1  THR  90           HG1      THR  90   7.582   9.773   5.552
  464   1HG2  THR  90          1HG2      THR  90   7.420   8.208   3.837
  465   2HG2  THR  90          2HG2      THR  90   6.176   7.363   4.758
  466   3HG2  THR  90          3HG2      THR  90   7.630   6.506   4.245
  467    H    MET  91           H        MET  91   6.039   8.536   7.891
  468    HA   MET  91           HA       MET  91   3.736   6.898   7.163
  469   1HB   MET  91          1HB       MET  91   2.738   7.232   9.427
  470   2HB   MET  91          2HB       MET  91   4.140   6.176   9.407
  471   1HG   MET  91          1HG       MET  91   5.531   7.996  10.242
  472   2HG   MET  91          2HG       MET  91   4.129   9.064  10.250
  473   1HE   MET  91          1HE       MET  91   1.869   7.453  12.992
  474   2HE   MET  91          2HE       MET  91   1.815   7.130  11.260
  475   3HE   MET  91          3HE       MET  91   2.052   8.777  11.842
  476    H    PHE  92           H        PHE  92   2.632   8.182   5.901
  477    HA   PHE  92           HA       PHE  92   2.182  10.952   6.791
  478   1HB   PHE  92          1HB       PHE  92   1.981  11.560   4.366
  479   2HB   PHE  92          2HB       PHE  92   3.598  11.082   4.862
  480    HD1  PHE  92           HD1      PHE  92   0.610  10.067   2.973
  481    HD2  PHE  92           HD2      PHE  92   4.647   9.141   3.949
  482    HE1  PHE  92           HE1      PHE  92   0.662   8.398   1.166
  483    HE2  PHE  92           HE2      PHE  92   4.706   7.473   2.143
  484    HZ   PHE  92           HZ       PHE  92   2.722   7.132   0.721
  485    H    GLU  93           H        GLU  93   0.164  11.909   5.792
  486    HA   GLU  93           HA       GLU  93  -1.976   9.910   6.003
  487   1HB   GLU  93          1HB       GLU  93  -1.971  11.818   7.610
  488   2HB   GLU  93          2HB       GLU  93  -2.135  12.923   6.254
  489   1HG   GLU  93          1HG       GLU  93  -4.283  11.845   5.685
  490   2HG   GLU  93          2HG       GLU  93  -4.122  10.838   7.123
  491    H    TYR  94           H        TYR  94  -3.072   9.378   4.262
  492    HA   TYR  94           HA       TYR  94  -2.966  11.099   1.884
  493   1HB   TYR  94          1HB       TYR  94  -1.137   9.450   1.740
  494   2HB   TYR  94          2HB       TYR  94  -2.278   8.144   2.010
  495    HD1  TYR  94           HD1      TYR  94  -2.619   6.868   0.106
  496    HD2  TYR  94           HD2      TYR  94  -2.112  11.068  -0.305
  497    HE1  TYR  94           HE1      TYR  94  -2.948   6.666  -2.325
  498    HE2  TYR  94           HE2      TYR  94  -2.433  10.880  -2.735
  499    HH   TYR  94           HH       TYR  94  -3.650   8.099  -4.222
  500    H    THR  95           H        THR  95  -4.596  10.346   0.224
  501    HA   THR  95           HA       THR  95  -6.945   9.230   1.586
  502    HB   THR  95           HB       THR  95  -8.032  10.025  -0.407
  503    HG1  THR  95           HG1      THR  95  -5.871  11.833  -0.510
  504   1HG2  THR  95          1HG2      THR  95  -8.306  10.975   1.802
  505   2HG2  THR  95          2HG2      THR  95  -8.195  12.254   0.594
  506   3HG2  THR  95          3HG2      THR  95  -6.809  11.886   1.621
  507    H    PHE  96           H        PHE  96  -8.219   7.582   0.459
  508    HA   PHE  96           HA       PHE  96  -6.623   6.134  -1.531
  509   1HB   PHE  96          1HB       PHE  96  -6.767   5.447   1.255
  510   2HB   PHE  96          2HB       PHE  96  -7.506   4.173   0.292
  511    HD1  PHE  96           HD1      PHE  96  -5.512   5.140  -2.093
  512    HD2  PHE  96           HD2      PHE  96  -5.091   3.681   1.881
  513    HE1  PHE  96           HE1      PHE  96  -3.279   4.271  -2.652
  514    HE2  PHE  96           HE2      PHE  96  -2.859   2.810   1.333
  515    HZ   PHE  96           HZ       PHE  96  -1.962   3.076  -0.933
  516    H    ASP  97           H        ASP  97  -8.101   6.248  -3.083
  517    HA   ASP  97           HA       ASP  97  -9.641   4.031  -3.414
  518   1HB   ASP  97          1HB       ASP  97 -11.187   5.263  -1.734
  519   2HB   ASP  97          2HB       ASP  97 -11.567   6.318  -3.095
  520    H    TYR  98           H        TYR  98 -10.400   3.876  -5.483
  521    HA   TYR  98           HA       TYR  98  -9.081   5.591  -7.326
  522   1HB   TYR  98          1HB       TYR  98 -10.513   4.062  -8.968
  523   2HB   TYR  98          2HB       TYR  98  -9.077   3.457  -8.151
  524    HD1  TYR  98           HD1      TYR  98  -9.317   1.946  -6.185
  525    HD2  TYR  98           HD2      TYR  98 -12.683   3.221  -8.456
  526    HE1  TYR  98           HE1      TYR  98 -10.656   0.121  -5.226
  527    HE2  TYR  98           HE2      TYR  98 -14.028   1.404  -7.502
  528    HH   TYR  98           HH       TYR  98 -13.595  -0.865  -6.508
  529    H    GLN  99           H        GLN  99 -12.460   5.127  -6.380
  530    HA   GLN  99           HA       GLN  99 -13.128   7.455  -8.029
  531   1HB   GLN  99          1HB       GLN  99 -14.530   4.789  -8.138
  532   2HB   GLN  99          2HB       GLN  99 -15.136   6.259  -8.891
  533   1HG   GLN  99          1HG       GLN  99 -13.243   6.362 -10.357
  534   2HG   GLN  99          2HG       GLN  99 -12.457   5.023  -9.516
  535   1HE2  GLN  99          1HE2      GLN  99 -13.154   2.939  -9.890
  536   2HE2  GLN  99          2HE2      GLN  99 -14.213   2.511 -11.186
  537    H    MET 100           H        MET 100 -13.446   5.912  -5.054
  538    HA   MET 100           HA       MET 100 -15.984   7.036  -4.286
  539   1HB   MET 100          1HB       MET 100 -14.900   5.045  -3.175
  540   2HB   MET 100          2HB       MET 100 -13.706   6.147  -2.500
  541   1HG   MET 100          1HG       MET 100 -15.385   5.628  -0.861
  542   2HG   MET 100          2HG       MET 100 -15.497   7.328  -1.312
  543   1HE   MET 100          1HE       MET 100 -18.411   4.087  -2.837
  544   2HE   MET 100          2HE       MET 100 -17.039   3.754  -1.782
  545   3HE   MET 100          3HE       MET 100 -16.765   4.263  -3.447
  546    H    THR 101           H        THR 101 -16.229   8.805  -2.745
  547    HA   THR 101           HA       THR 101 -14.553  11.035  -3.009
  548    HB   THR 101           HB       THR 101 -15.456  11.431  -0.724
  549    HG1  THR 101           HG1      THR 101 -16.823   9.942  -0.082
  550   1HG2  THR 101          1HG2      THR 101 -17.080  11.320  -3.259
  551   2HG2  THR 101          2HG2      THR 101 -16.041  12.647  -2.738
  552   3HG2  THR 101          3HG2      THR 101 -17.491  12.249  -1.816
  553    HA   PRO 102           HA       PRO 102 -11.039   8.799  -1.704
  554   1HB   PRO 102          1HB       PRO 102  -9.639  11.161  -0.901
  555   2HB   PRO 102          2HB       PRO 102  -9.453  10.226  -2.384
  556   1HG   PRO 102          1HG       PRO 102 -10.978  12.699  -1.901
  557   2HG   PRO 102          2HG       PRO 102 -10.313  12.059  -3.412
  558   1HD   PRO 102          1HD       PRO 102 -12.952  12.064  -2.886
  559   2HD   PRO 102          2HD       PRO 102 -12.185  10.774  -3.835
  560    H    THR 103           H        THR 103 -11.731   7.716   0.086
  561    HA   THR 103           HA       THR 103 -12.086   8.698   2.655
  562    HB   THR 103           HB       THR 103 -10.686   6.261   2.169
  563    HG1  THR 103           HG1      THR 103 -12.362   5.500   1.055
  564   1HG2  THR 103          1HG2      THR 103 -12.985   7.099   3.935
  565   2HG2  THR 103          2HG2      THR 103 -11.312   6.872   4.452
  566   3HG2  THR 103          3HG2      THR 103 -12.253   5.496   3.877
  567    H    LYS 104           H        LYS 104 -10.622   8.665   4.533
  568    HA   LYS 104           HA       LYS 104  -7.927   9.464   3.692
  569   1HB   LYS 104          1HB       LYS 104  -9.504  10.150   6.174
  570   2HB   LYS 104          2HB       LYS 104  -7.826  10.610   5.923
  571   1HG   LYS 104          1HG       LYS 104  -8.529  11.850   3.887
  572   2HG   LYS 104          2HG       LYS 104 -10.205  11.487   4.301
  573   1HD   LYS 104          1HD       LYS 104  -9.929  12.646   6.432
  574   2HD   LYS 104          2HD       LYS 104  -8.250  12.998   6.026
  575   1HE   LYS 104          1HE       LYS 104  -9.516  14.955   5.554
  576   2HE   LYS 104          2HE       LYS 104  -9.082  14.223   4.010
  577   1HZ   LYS 104          1HZ       LYS 104 -11.711  13.941   5.366
  578   2HZ   LYS 104          2HZ       LYS 104 -11.295  13.280   3.860
  579   3HZ   LYS 104          3HZ       LYS 104 -11.389  14.963   4.055
  580    H    VAL 105           H        VAL 105  -6.141   8.557   4.478
  581    HA   VAL 105           HA       VAL 105  -6.339   6.567   6.594
  582    HB   VAL 105           HB       VAL 105  -6.785   5.589   4.553
  583   1HG1  VAL 105          1HG1      VAL 105  -5.423   6.924   3.072
  584   2HG1  VAL 105          2HG1      VAL 105  -4.947   5.229   2.975
  585   3HG1  VAL 105          3HG1      VAL 105  -3.958   6.370   3.886
  586   1HG2  VAL 105          1HG2      VAL 105  -5.296   3.721   4.863
  587   2HG2  VAL 105          2HG2      VAL 105  -5.893   4.330   6.407
  588   3HG2  VAL 105          3HG2      VAL 105  -4.253   4.712   5.882
  589    H    LYS 106           H        LYS 106  -4.283   6.004   7.483
  590    HA   LYS 106           HA       LYS 106  -2.118   7.865   6.785
  591   1HB   LYS 106          1HB       LYS 106  -2.984   7.996   9.131
  592   2HB   LYS 106          2HB       LYS 106  -2.494   6.323   9.363
  593   1HG   LYS 106          1HG       LYS 106  -0.243   6.837   9.332
  594   2HG   LYS 106          2HG       LYS 106  -0.499   8.352   8.464
  595   1HD   LYS 106          1HD       LYS 106  -1.353   7.820  11.309
  596   2HD   LYS 106          2HD       LYS 106   0.100   8.704  10.837
  597   1HE   LYS 106          1HE       LYS 106  -1.323  10.328   9.631
  598   2HE   LYS 106          2HE       LYS 106  -2.751   9.474  10.212
  599   1HZ   LYS 106          1HZ       LYS 106  -0.730  10.890  11.872
  600   2HZ   LYS 106          2HZ       LYS 106  -2.004   9.958  12.496
  601   3HZ   LYS 106          3HZ       LYS 106  -2.341  11.351  11.599
  602    H    VAL 107           H        VAL 107  -0.180   7.003   6.106
  603    HA   VAL 107           HA       VAL 107  -0.283   4.114   5.611
  604    HB   VAL 107           HB       VAL 107   0.689   6.237   3.942
  605   1HG1  VAL 107          1HG1      VAL 107   1.891   4.126   3.684
  606   2HG1  VAL 107          2HG1      VAL 107   0.863   4.448   2.287
  607   3HG1  VAL 107          3HG1      VAL 107   0.357   3.275   3.504
  608   1HG2  VAL 107          1HG2      VAL 107  -1.230   5.717   2.543
  609   2HG2  VAL 107          2HG2      VAL 107  -1.720   6.326   4.124
  610   3HG2  VAL 107          3HG2      VAL 107  -1.821   4.601   3.775
  611    H    HIS 108           H        HIS 108   1.329   3.197   6.634
  612    HA   HIS 108           HA       HIS 108   3.809   4.719   7.004
  613   1HB   HIS 108          1HB       HIS 108   2.718   3.866   9.064
  614   2HB   HIS 108          2HB       HIS 108   2.876   2.226   8.445
  615    HD1  HIS 108           HD1      HIS 108   5.103   1.067   8.783
  616    HD2  HIS 108           HD2      HIS 108   5.210   5.100   9.775
  617    HE1  HIS 108           HE1      HIS 108   7.323   1.426   9.909
  618    HE2  HIS 108           HE2      HIS 108   7.415   3.893  10.404
  619    H    MET 109           H        MET 109   5.413   4.256   5.772
  620    HA   MET 109           HA       MET 109   5.575   1.633   4.434
  621   1HB   MET 109          1HB       MET 109   6.854   4.315   3.946
  622   2HB   MET 109          2HB       MET 109   7.615   2.861   3.319
  623   1HG   MET 109          1HG       MET 109   6.355   3.800   1.565
  624   2HG   MET 109          2HG       MET 109   5.472   2.376   2.117
  625   1HE   MET 109          1HE       MET 109   4.351   4.789   0.292
  626   2HE   MET 109          2HE       MET 109   2.729   4.961   0.963
  627   3HE   MET 109          3HE       MET 109   3.410   3.355   0.700
  628    H    LYS 110           H        LYS 110   7.392   0.287   4.731
  629    HA   LYS 110           HA       LYS 110   9.689   1.257   6.135
  630   1HB   LYS 110          1HB       LYS 110   9.587  -0.314   8.030
  631   2HB   LYS 110          2HB       LYS 110   8.286   0.863   8.081
  632   1HG   LYS 110          1HG       LYS 110   6.755  -0.826   7.159
  633   2HG   LYS 110          2HG       LYS 110   8.069  -2.004   7.206
  634   1HD   LYS 110          1HD       LYS 110   6.967  -0.512   9.580
  635   2HD   LYS 110          2HD       LYS 110   6.594  -2.185   9.163
  636   1HE   LYS 110          1HE       LYS 110   8.977  -2.752   9.397
  637   2HE   LYS 110          2HE       LYS 110   9.312  -1.088   9.870
  638   1HZ   LYS 110          1HZ       LYS 110   7.791  -1.408  11.766
  639   2HZ   LYS 110          2HZ       LYS 110   9.135  -2.441  11.814
  640   3HZ   LYS 110          3HZ       LYS 110   7.626  -3.044  11.334
  641    H    LYS 111           H        LYS 111  11.443  -0.182   5.943
  642    HA   LYS 111           HA       LYS 111  11.031  -1.922   3.631
  643   1HB   LYS 111          1HB       LYS 111  12.713  -0.062   3.592
  644   2HB   LYS 111          2HB       LYS 111  13.616  -0.904   4.839
  645   1HG   LYS 111          1HG       LYS 111  13.864  -2.823   3.283
  646   2HG   LYS 111          2HG       LYS 111  13.086  -1.844   2.034
  647   1HD   LYS 111          1HD       LYS 111  14.854  -0.163   2.256
  648   2HD   LYS 111          2HD       LYS 111  15.638  -1.153   3.489
  649   1HE   LYS 111          1HE       LYS 111  15.890  -2.963   1.825
  650   2HE   LYS 111          2HE       LYS 111  15.185  -1.902   0.601
  651   1HZ   LYS 111          1HZ       LYS 111  17.518  -1.754   0.373
  652   2HZ   LYS 111          2HZ       LYS 111  17.755  -1.547   2.040
  653   3HZ   LYS 111          3HZ       LYS 111  17.034  -0.317   1.129
  654    H    ALA 112           H        ALA 112  10.969  -4.027   3.849
  655    HA   ALA 112           HA       ALA 112  12.244  -5.277   6.179
  656   1HB   ALA 112          1HB       ALA 112  10.136  -6.348   4.301
  657   2HB   ALA 112          2HB       ALA 112   9.881  -5.795   5.957
  658   3HB   ALA 112          3HB       ALA 112  10.845  -7.238   5.648
  659    H    LEU 113           H        LEU 113  13.014  -7.610   5.555
  660    HA   LEU 113           HA       LEU 113  14.523  -7.384   3.034
  661   1HB   LEU 113          1HB       LEU 113  15.849  -7.072   5.156
  662   2HB   LEU 113          2HB       LEU 113  15.475  -8.738   5.553
  663    HG   LEU 113           HG       LEU 113  16.649  -9.462   3.492
  664   1HD1  LEU 113          1HD1      LEU 113  18.047  -7.869   2.289
  665   2HD1  LEU 113          2HD1      LEU 113  17.432  -6.555   3.291
  666   3HD1  LEU 113          3HD1      LEU 113  16.349  -7.408   2.190
  667   1HD2  LEU 113          1HD2      LEU 113  18.288  -7.742   5.349
  668   2HD2  LEU 113          2HD2      LEU 113  18.899  -9.044   4.328
  669   3HD2  LEU 113          3HD2      LEU 113  17.796  -9.408   5.655
  670    H    SER 114           H        SER 114  12.741  -9.406   5.247
  671    HA   SER 114           HA       SER 114  13.015 -11.812   3.748
  672   1HB   SER 114          1HB       SER 114  10.752 -10.998   5.588
  673   2HB   SER 114          2HB       SER 114  11.205 -12.640   5.123
  674    HG   SER 114           HG       SER 114  12.797 -12.617   6.520
  675    H    GLY 115           H        GLY 115  12.513 -11.668   1.629
  676   1HA   GLY 115          1HA       GLY 115  10.686 -11.889   0.052
  677   2HA   GLY 115          2HA       GLY 115   9.811 -10.691   0.997
  678    H    ASP 116           H        ASP 116  12.797  -9.517   1.025
  679    HA   ASP 116           HA       ASP 116  13.733  -7.657   0.092
  680   1HB   ASP 116          1HB       ASP 116  12.940  -9.021  -2.498
  681   2HB   ASP 116          2HB       ASP 116  14.147  -7.753  -2.328
  682    H    SER 117           H        SER 117  11.431  -6.917   1.033
  683    HA   SER 117           HA       SER 117  10.273  -5.133  -0.880
  684   1HB   SER 117          1HB       SER 117   7.922  -6.047  -0.248
  685   2HB   SER 117          2HB       SER 117   8.868  -6.916  -1.457
  686    HG   SER 117           HG       SER 117   9.089  -8.546  -0.129
  687    H    TYR 118           H        TYR 118   8.183  -4.080   0.368
  688    HA   TYR 118           HA       TYR 118   9.284  -3.292   2.981
  689   1HB   TYR 118          1HB       TYR 118   7.570  -1.494   1.288
  690   2HB   TYR 118          2HB       TYR 118   8.786  -1.066   2.492
  691    HD1  TYR 118           HD1      TYR 118   8.140  -1.726  -0.991
  692    HD2  TYR 118           HD2      TYR 118  11.221  -1.340   1.919
  693    HE1  TYR 118           HE1      TYR 118   9.802  -1.473  -2.786
  694    HE2  TYR 118           HE2      TYR 118  12.890  -1.085   0.128
  695    HH   TYR 118           HH       TYR 118  13.121  -1.718  -2.279
  696    H    TRP 119           H        TRP 119   7.677  -2.714   4.549
  697    HA   TRP 119           HA       TRP 119   5.102  -4.027   4.059
  698   1HB   TRP 119          1HB       TRP 119   6.631  -3.382   6.569
  699   2HB   TRP 119          2HB       TRP 119   4.901  -3.697   6.624
  700    HD1  TRP 119           HD1      TRP 119   8.239  -5.441   6.321
  701    HE1  TRP 119           HE1      TRP 119   7.863  -7.989   6.333
  702    HE3  TRP 119           HE3      TRP 119   3.151  -5.512   5.841
  703    HZ2  TRP 119           HZ2      TRP 119   5.698  -9.786   6.157
  704    HZ3  TRP 119           HZ3      TRP 119   2.003  -7.687   5.766
  705    HH2  TRP 119           HH2      TRP 119   3.251  -9.780   5.920
  706    H    VAL 120           H        VAL 120   3.634  -2.668   3.323
  707    HA   VAL 120           HA       VAL 120   3.662   0.056   4.401
  708    HB   VAL 120           HB       VAL 120   3.758  -0.224   2.150
  709   1HG1  VAL 120          1HG1      VAL 120   1.782  -0.945   0.897
  710   2HG1  VAL 120          2HG1      VAL 120   1.023  -1.462   2.402
  711   3HG1  VAL 120          3HG1      VAL 120   2.490  -2.262   1.833
  712   1HG2  VAL 120          1HG2      VAL 120   1.941   1.339   1.627
  713   2HG2  VAL 120          2HG2      VAL 120   2.842   1.783   3.077
  714   3HG2  VAL 120          3HG2      VAL 120   1.250   1.035   3.223
  715    H    PHE 121           H        PHE 121   2.361   0.553   5.973
  716    HA   PHE 121           HA       PHE 121   0.035  -1.179   6.504
  717   1HB   PHE 121          1HB       PHE 121   1.587   0.560   8.439
  718   2HB   PHE 121          2HB       PHE 121   0.235  -0.487   8.850
  719    HD1  PHE 121           HD1      PHE 121   3.554  -0.233   9.253
  720    HD2  PHE 121           HD2      PHE 121   0.726  -2.994   7.683
  721    HE1  PHE 121           HE1      PHE 121   5.122  -2.080   9.679
  722    HE2  PHE 121           HE2      PHE 121   2.290  -4.844   8.100
  723    HZ   PHE 121           HZ       PHE 121   4.490  -4.388   9.105
  724    H    VAL 122           H        VAL 122  -1.910  -0.309   6.290
  725    HA   VAL 122           HA       VAL 122  -2.096   2.623   6.367
  726    HB   VAL 122           HB       VAL 122  -4.158   2.337   5.308
  727   1HG1  VAL 122          1HG1      VAL 122  -1.650   1.376   3.933
  728   2HG1  VAL 122          2HG1      VAL 122  -2.118   3.059   4.186
  729   3HG1  VAL 122          3HG1      VAL 122  -3.080   2.026   3.129
  730   1HG2  VAL 122          1HG2      VAL 122  -3.155  -0.470   4.900
  731   2HG2  VAL 122          2HG2      VAL 122  -4.516   0.273   4.061
  732   3HG2  VAL 122          3HG2      VAL 122  -4.596   0.004   5.803
  733    H    LYS 123           H        LYS 123  -3.536   3.614   7.664
  734    HA   LYS 123           HA       LYS 123  -5.354   1.968   9.274
  735   1HB   LYS 123          1HB       LYS 123  -3.436   4.013  10.414
  736   2HB   LYS 123          2HB       LYS 123  -4.727   3.231  11.313
  737   1HG   LYS 123          1HG       LYS 123  -3.622   1.038  10.790
  738   2HG   LYS 123          2HG       LYS 123  -2.257   1.972  10.164
  739   1HD   LYS 123          1HD       LYS 123  -1.941   3.020  12.317
  740   2HD   LYS 123          2HD       LYS 123  -3.378   2.218  12.954
  741   1HE   LYS 123          1HE       LYS 123  -1.448   1.030  13.725
  742   2HE   LYS 123          2HE       LYS 123  -2.278   0.033  12.532
  743   1HZ   LYS 123          1HZ       LYS 123  -0.640   0.920  10.880
  744   2HZ   LYS 123          2HZ       LYS 123   0.009  -0.095  12.065
  745   3HZ   LYS 123          3HZ       LYS 123   0.224   1.582  12.179
  746    H    ARG 124           H        ARG 124  -7.304   2.884   9.570
  747    HA   ARG 124           HA       ARG 124  -7.896   5.293   8.138
  748   1HB   ARG 124          1HB       ARG 124  -9.557   3.520   9.927
  749   2HB   ARG 124          2HB       ARG 124 -10.193   5.004   9.236
  750   1HG   ARG 124          1HG       ARG 124 -10.922   3.257   7.841
  751   2HG   ARG 124          2HG       ARG 124  -9.616   4.058   6.973
  752   1HD   ARG 124          1HD       ARG 124  -8.069   2.318   7.609
  753   2HD   ARG 124          2HD       ARG 124  -9.300   1.548   8.609
  754    HE   ARG 124           HE       ARG 124 -10.486   1.506   6.222
  755   1HH1  ARG 124          1HH1      ARG 124  -7.231   0.657   7.168
  756   2HH1  ARG 124          2HH1      ARG 124  -7.035  -0.546   5.920
  757   1HH2  ARG 124          1HH2      ARG 124 -10.253  -0.077   4.590
  758   2HH2  ARG 124          2HH2      ARG 124  -8.746  -0.937   4.438
  759    H    VAL 125           H        VAL 125  -7.750   7.302   8.856
  760    HA   VAL 125           HA       VAL 125  -7.489   7.711  11.746
  761    HB   VAL 125           HB       VAL 125  -6.762   9.896  11.027
  762   1HG1  VAL 125          1HG1      VAL 125  -5.372   8.198  12.060
  763   2HG1  VAL 125          2HG1      VAL 125  -4.498   8.955  10.727
  764   3HG1  VAL 125          3HG1      VAL 125  -5.214   7.357  10.517
  765   1HG2  VAL 125          1HG2      VAL 125  -6.401   8.365   8.457
  766   2HG2  VAL 125          2HG2      VAL 125  -5.677   9.927   8.839
  767   3HG2  VAL 125          3HG2      VAL 125  -7.428   9.780   8.688
  768    H2   HC4 169           H2       HC4 169  -6.370   3.600  -3.194
  769    H3   HC4 169           H3       HC4 169  -7.411   1.701  -5.227
  770    H2'  HC4 169           H2'      HC4 169  -7.609  -0.656  -4.320
  771    H3'  HC4 169           H3'      HC4 169  -7.701  -2.225  -2.427
  772    H5'  HC4 169           H5'      HC4 169  -6.260   0.842   0.154
  773    H6'  HC4 169           H6'      HC4 169  -6.331   2.439  -1.712
  Start of MODEL    9
    1    H    LEU  26           H        LEU  26 -10.858  -7.587   9.554
    2    HA   LEU  26           HA       LEU  26 -10.104  -8.074  12.374
    3   1HB   LEU  26          1HB       LEU  26  -8.607  -8.157   9.850
    4   2HB   LEU  26          2HB       LEU  26  -7.878  -7.139  11.072
    5    HG   LEU  26           HG       LEU  26  -7.019  -9.454  11.019
    6   1HD1  LEU  26          1HD1      LEU  26  -6.814  -8.121  13.033
    7   2HD1  LEU  26          2HD1      LEU  26  -7.122  -9.807  13.451
    8   3HD1  LEU  26          3HD1      LEU  26  -8.425  -8.620  13.550
    9   1HD2  LEU  26          1HD2      LEU  26  -8.392 -11.256  11.951
   10   2HD2  LEU  26          2HD2      LEU  26  -9.068 -10.631  10.446
   11   3HD2  LEU  26          3HD2      LEU  26  -9.780 -10.169  11.993
   12    H    ALA  27           H        ALA  27  -8.315  -6.084  12.686
   13    HA   ALA  27           HA       ALA  27 -10.075  -3.817  12.887
   14   1HB   ALA  27          1HB       ALA  27  -7.193  -4.080  13.727
   15   2HB   ALA  27          2HB       ALA  27  -8.593  -4.443  14.737
   16   3HB   ALA  27          3HB       ALA  27  -8.304  -2.792  14.190
   17    H    PHE  28           H        PHE  28  -6.653  -3.782  11.894
   18    HA   PHE  28           HA       PHE  28  -7.442  -2.023   9.670
   19   1HB   PHE  28          1HB       PHE  28  -5.051  -1.765  11.498
   20   2HB   PHE  28          2HB       PHE  28  -5.236  -0.862   9.998
   21    HD1  PHE  28           HD1      PHE  28  -7.106   0.755   9.766
   22    HD2  PHE  28           HD2      PHE  28  -6.177  -1.122  13.468
   23    HE1  PHE  28           HE1      PHE  28  -8.406   2.469  10.956
   24    HE2  PHE  28           HE2      PHE  28  -7.477   0.587  14.663
   25    HZ   PHE  28           HZ       PHE  28  -8.594   2.385  13.407
   26    H    GLY  29           H        GLY  29  -5.496  -1.832   8.054
   27   1HA   GLY  29          1HA       GLY  29  -4.984  -4.639   7.360
   28   2HA   GLY  29          2HA       GLY  29  -5.154  -3.322   6.215
   29    H    ALA  30           H        ALA  30  -3.063  -5.355   6.615
   30    HA   ALA  30           HA       ALA  30  -0.783  -3.502   6.711
   31   1HB   ALA  30          1HB       ALA  30  -0.713  -4.948   8.682
   32   2HB   ALA  30          2HB       ALA  30   0.606  -5.333   7.577
   33   3HB   ALA  30          3HB       ALA  30  -0.815  -6.375   7.650
   34    H    ILE  31           H        ILE  31  -0.076  -3.273   4.702
   35    HA   ILE  31           HA       ILE  31  -0.492  -5.461   2.783
   36    HB   ILE  31           HB       ILE  31   0.339  -2.789   2.179
   37   1HG1  ILE  31          1HG1      ILE  31  -1.636  -2.591   3.626
   38   2HG1  ILE  31          2HG1      ILE  31  -1.983  -2.142   1.961
   39   1HG2  ILE  31          1HG2      ILE  31  -1.162  -4.963   0.730
   40   2HG2  ILE  31          2HG2      ILE  31   0.462  -4.373   0.378
   41   3HG2  ILE  31          3HG2      ILE  31  -0.931  -3.327   0.114
   42   1HD1  ILE  31          1HD1      ILE  31  -3.045  -4.312   1.604
   43   2HD1  ILE  31          2HD1      ILE  31  -3.799  -3.420   2.926
   44   3HD1  ILE  31          3HD1      ILE  31  -2.698  -4.753   3.276
   45    H    GLN  32           H        GLN  32   1.276  -5.859   1.226
   46    HA   GLN  32           HA       GLN  32   3.891  -4.849   2.102
   47   1HB   GLN  32          1HB       GLN  32   3.571  -7.140   2.951
   48   2HB   GLN  32          2HB       GLN  32   3.269  -7.703   1.316
   49   1HG   GLN  32          1HG       GLN  32   5.539  -7.154   0.683
   50   2HG   GLN  32          2HG       GLN  32   5.845  -6.490   2.288
   51   1HE2  GLN  32          1HE2      GLN  32   7.498  -7.917   2.724
   52   2HE2  GLN  32          2HE2      GLN  32   7.227  -9.592   3.042
   53    H    LEU  33           H        LEU  33   4.666  -3.667   0.487
   54    HA   LEU  33           HA       LEU  33   4.182  -4.557  -2.281
   55   1HB   LEU  33          1HB       LEU  33   5.018  -1.783  -1.457
   56   2HB   LEU  33          2HB       LEU  33   4.454  -2.300  -3.028
   57    HG   LEU  33           HG       LEU  33   2.819  -1.943  -0.526
   58   1HD1  LEU  33          1HD1      LEU  33   1.640  -0.282  -1.865
   59   2HD1  LEU  33          2HD1      LEU  33   2.724  -0.599  -3.220
   60   3HD1  LEU  33          3HD1      LEU  33   3.356   0.103  -1.731
   61   1HD2  LEU  33          1HD2      LEU  33   0.889  -2.644  -1.849
   62   2HD2  LEU  33          2HD2      LEU  33   2.069  -3.950  -1.716
   63   3HD2  LEU  33          3HD2      LEU  33   1.947  -3.018  -3.209
   64    H    ASP  34           H        ASP  34   5.999  -4.503  -3.735
   65    HA   ASP  34           HA       ASP  34   8.589  -4.433  -2.330
   66   1HB   ASP  34          1HB       ASP  34   9.444  -5.960  -3.820
   67   2HB   ASP  34          2HB       ASP  34   7.754  -6.458  -3.784
   68    H    GLY  35           H        GLY  35  10.447  -3.716  -3.824
   69   1HA   GLY  35          1HA       GLY  35  10.232  -0.974  -4.134
   70   2HA   GLY  35          2HA       GLY  35  11.511  -1.957  -4.819
   71    H    ASP  36           H        ASP  36   9.527  -3.457  -6.524
   72    HA   ASP  36           HA       ASP  36   9.517  -1.554  -8.699
   73   1HB   ASP  36          1HB       ASP  36   9.115  -4.457  -8.442
   74   2HB   ASP  36          2HB       ASP  36   8.137  -3.685  -9.687
   75    H    GLY  37           H        GLY  37   7.075  -3.238  -6.763
   76   1HA   GLY  37          1HA       GLY  37   5.209  -1.598  -6.210
   77   2HA   GLY  37          2HA       GLY  37   5.062  -1.436  -7.951
   78    H    ASN  38           H        ASN  38   5.859  -4.560  -6.737
   79    HA   ASN  38           HA       ASN  38   3.252  -5.567  -7.524
   80   1HB   ASN  38          1HB       ASN  38   5.771  -6.923  -6.554
   81   2HB   ASN  38          2HB       ASN  38   4.261  -7.795  -6.780
   82   1HD2  ASN  38          1HD2      ASN  38   6.793  -8.172  -8.093
   83   2HD2  ASN  38          2HD2      ASN  38   6.496  -7.984  -9.782
   84    H    ILE  39           H        ILE  39   1.737  -6.368  -6.169
   85    HA   ILE  39           HA       ILE  39   2.085  -5.812  -3.335
   86    HB   ILE  39           HB       ILE  39  -0.159  -7.115  -4.531
   87   1HG1  ILE  39          1HG1      ILE  39   0.334  -4.138  -4.467
   88   2HG1  ILE  39          2HG1      ILE  39   0.434  -5.129  -5.920
   89   1HG2  ILE  39          1HG2      ILE  39   0.256  -5.205  -2.225
   90   2HG2  ILE  39          2HG2      ILE  39  -0.010  -6.944  -2.095
   91   3HG2  ILE  39          3HG2      ILE  39  -1.289  -5.903  -2.718
   92   1HD1  ILE  39          1HD1      ILE  39  -1.920  -5.733  -5.660
   93   2HD1  ILE  39          2HD1      ILE  39  -1.698  -3.988  -5.786
   94   3HD1  ILE  39          3HD1      ILE  39  -2.012  -4.726  -4.215
   95    H    LEU  40           H        LEU  40   1.901  -7.449  -1.742
   96    HA   LEU  40           HA       LEU  40   2.129 -10.178  -2.753
   97   1HB   LEU  40          1HB       LEU  40   3.401  -8.772  -0.444
   98   2HB   LEU  40          2HB       LEU  40   3.196 -10.504  -0.427
   99    HG   LEU  40           HG       LEU  40   4.451 -10.535  -2.639
  100   1HD1  LEU  40          1HD1      LEU  40   5.219  -7.751  -1.797
  101   2HD1  LEU  40          2HD1      LEU  40   4.143  -8.145  -3.139
  102   3HD1  LEU  40          3HD1      LEU  40   5.837  -8.644  -3.188
  103   1HD2  LEU  40          1HD2      LEU  40   5.892  -9.592  -0.171
  104   2HD2  LEU  40          2HD2      LEU  40   6.647 -10.369  -1.561
  105   3HD2  LEU  40          3HD2      LEU  40   5.488 -11.260  -0.576
  106    H    GLN  41           H        GLN  41   1.639  -9.058   0.539
  107    HA   GLN  41           HA       GLN  41  -0.858 -10.590   0.551
  108   1HB   GLN  41          1HB       GLN  41  -0.329 -11.224   2.887
  109   2HB   GLN  41          2HB       GLN  41   0.817 -11.852   1.713
  110   1HG   GLN  41          1HG       GLN  41   2.349  -9.992   2.290
  111   2HG   GLN  41          2HG       GLN  41   1.215  -9.506   3.549
  112   1HE2  GLN  41          1HE2      GLN  41   4.007 -10.470   3.673
  113   2HE2  GLN  41          2HE2      GLN  41   3.967 -11.812   4.765
  114    H    TYR  42           H        TYR  42  -2.148 -10.124   2.514
  115    HA   TYR  42           HA       TYR  42  -2.333  -7.246   3.037
  116   1HB   TYR  42          1HB       TYR  42  -4.255  -9.052   1.668
  117   2HB   TYR  42          2HB       TYR  42  -4.948  -7.941   2.828
  118    HD1  TYR  42           HD1      TYR  42  -5.975  -6.210   1.743
  119    HD2  TYR  42           HD2      TYR  42  -2.223  -7.592   0.262
  120    HE1  TYR  42           HE1      TYR  42  -6.007  -4.444   0.043
  121    HE2  TYR  42           HE2      TYR  42  -2.257  -5.819  -1.446
  122    HH   TYR  42           HH       TYR  42  -4.412  -3.201  -1.358
  123    H    ASN  43           H        ASN  43  -4.550  -7.216   4.587
  124    HA   ASN  43           HA       ASN  43  -4.284  -9.415   6.514
  125   1HB   ASN  43          1HB       ASN  43  -3.280  -7.277   7.390
  126   2HB   ASN  43          2HB       ASN  43  -4.874  -6.541   7.263
  127   1HD2  ASN  43          1HD2      ASN  43  -4.953  -6.148   9.480
  128   2HD2  ASN  43          2HD2      ASN  43  -5.206  -7.433  10.632
  129    H    ALA  44           H        ALA  44  -6.302  -9.711   7.805
  130    HA   ALA  44           HA       ALA  44  -8.476  -9.939   5.981
  131   1HB   ALA  44          1HB       ALA  44  -8.433 -10.471   8.943
  132   2HB   ALA  44          2HB       ALA  44  -7.971 -11.622   7.689
  133   3HB   ALA  44          3HB       ALA  44  -9.634 -11.046   7.789
  134    H    ALA  45           H        ALA  45  -7.593  -7.166   7.043
  135    HA   ALA  45           HA       ALA  45 -10.203  -6.228   7.962
  136   1HB   ALA  45          1HB       ALA  45  -7.617  -4.720   7.605
  137   2HB   ALA  45          2HB       ALA  45  -8.250  -5.353   9.124
  138   3HB   ALA  45          3HB       ALA  45  -9.108  -4.064   8.281
  139    H    GLU  46           H        GLU  46  -7.929  -5.902   5.276
  140    HA   GLU  46           HA       GLU  46  -9.568  -3.989   3.906
  141   1HB   GLU  46          1HB       GLU  46  -7.229  -5.561   2.824
  142   2HB   GLU  46          2HB       GLU  46  -7.924  -4.102   2.131
  143   1HG   GLU  46          1HG       GLU  46  -6.384  -4.369   4.701
  144   2HG   GLU  46          2HG       GLU  46  -5.913  -3.504   3.239
  145    HE2  GLU  46           HE2      GLU  46  -7.453  -1.425   2.607
  146    H    GLY  47           H        GLY  47  -9.447  -7.401   4.109
  147   1HA   GLY  47          1HA       GLY  47 -10.819  -7.839   1.600
  148   2HA   GLY  47          2HA       GLY  47 -10.494  -9.052   2.837
  149    H    ASP  48           H        ASP  48 -11.651  -7.255   4.907
  150    HA   ASP  48           HA       ASP  48 -14.401  -8.070   4.610
  151   1HB   ASP  48          1HB       ASP  48 -12.729  -6.939   6.801
  152   2HB   ASP  48          2HB       ASP  48 -14.465  -6.653   6.879
  153    H    ILE  49           H        ILE  49 -12.610  -5.020   4.822
  154    HA   ILE  49           HA       ILE  49 -15.018  -3.462   4.475
  155    HB   ILE  49           HB       ILE  49 -12.245  -2.729   4.404
  156   1HG1  ILE  49          1HG1      ILE  49 -14.275  -2.837   6.616
  157   2HG1  ILE  49          2HG1      ILE  49 -12.807  -3.795   6.461
  158   1HG2  ILE  49          1HG2      ILE  49 -14.786  -1.133   4.694
  159   2HG2  ILE  49          2HG2      ILE  49 -13.678  -1.087   3.322
  160   3HG2  ILE  49          3HG2      ILE  49 -13.154  -0.498   4.901
  161   1HD1  ILE  49          1HD1      ILE  49 -12.526  -2.009   8.077
  162   2HD1  ILE  49          2HD1      ILE  49 -12.921  -0.816   6.840
  163   3HD1  ILE  49          3HD1      ILE  49 -11.455  -1.786   6.694
  164    H    THR  50           H        THR  50 -11.958  -3.632   2.610
  165    HA   THR  50           HA       THR  50 -13.152  -2.358   0.351
  166    HB   THR  50           HB       THR  50 -10.749  -3.907   0.400
  167    HG1  THR  50           HG1      THR  50  -9.886  -1.764   1.050
  168   1HG2  THR  50          1HG2      THR  50 -11.660  -1.453  -1.091
  169   2HG2  THR  50          2HG2      THR  50 -11.515  -3.077  -1.763
  170   3HG2  THR  50          3HG2      THR  50 -10.074  -2.215  -1.220
  171    H    GLY  51           H        GLY  51 -11.910  -5.636   0.935
  172   1HA   GLY  51          1HA       GLY  51 -13.197  -7.540   0.080
  173   2HA   GLY  51          2HA       GLY  51 -13.556  -6.561  -1.339
  174    H    ARG  52           H        ARG  52 -10.452  -6.817   0.292
  175    HA   ARG  52           HA       ARG  52  -9.357  -8.071  -2.134
  176   1HB   ARG  52          1HB       ARG  52  -8.833  -5.598  -1.758
  177   2HB   ARG  52          2HB       ARG  52  -7.883  -6.116  -0.369
  178   1HG   ARG  52          1HG       ARG  52  -6.403  -5.816  -2.197
  179   2HG   ARG  52          2HG       ARG  52  -6.551  -7.552  -1.910
  180   1HD   ARG  52          1HD       ARG  52  -6.629  -7.044  -4.295
  181   2HD   ARG  52          2HD       ARG  52  -8.155  -7.724  -3.734
  182    HE   ARG  52           HE       ARG  52  -9.193  -5.801  -4.368
  183   1HH1  ARG  52          1HH1      ARG  52  -5.787  -5.054  -3.908
  184   2HH1  ARG  52          2HH1      ARG  52  -5.925  -3.468  -4.586
  185   1HH2  ARG  52          1HH2      ARG  52  -9.360  -3.736  -5.261
  186   2HH2  ARG  52          2HH2      ARG  52  -7.954  -2.719  -5.377
  187    H    ASP  53           H        ASP  53  -8.861 -10.115  -1.566
  188    HA   ASP  53           HA       ASP  53  -7.997 -10.823   1.083
  189   1HB   ASP  53          1HB       ASP  53  -8.059 -12.405  -1.498
  190   2HB   ASP  53          2HB       ASP  53  -7.557 -13.075   0.047
  191    HA   PRO  54           HA       PRO  54  -3.554 -10.480   0.500
  192   1HB   PRO  54          1HB       PRO  54  -2.750 -12.610   2.013
  193   2HB   PRO  54          2HB       PRO  54  -3.256 -11.063   2.705
  194   1HG   PRO  54          1HG       PRO  54  -4.816 -13.600   2.390
  195   2HG   PRO  54          2HG       PRO  54  -4.752 -12.489   3.771
  196   1HD   PRO  54          1HD       PRO  54  -6.798 -12.476   2.023
  197   2HD   PRO  54          2HD       PRO  54  -6.210 -10.989   2.793
  198    H    LYS  55           H        LYS  55  -5.503 -13.041  -0.464
  199    HA   LYS  55           HA       LYS  55  -3.346 -14.515  -1.793
  200   1HB   LYS  55          1HB       LYS  55  -6.271 -15.174  -1.419
  201   2HB   LYS  55          2HB       LYS  55  -5.104 -16.208  -2.229
  202   1HG   LYS  55          1HG       LYS  55  -3.885 -16.533  -0.202
  203   2HG   LYS  55          2HG       LYS  55  -4.873 -15.337   0.634
  204   1HD   LYS  55          1HD       LYS  55  -5.698 -17.438   1.316
  205   2HD   LYS  55          2HD       LYS  55  -6.859 -16.822   0.146
  206   1HE   LYS  55          1HE       LYS  55  -4.656 -18.746  -0.569
  207   2HE   LYS  55          2HE       LYS  55  -6.262 -19.262  -0.063
  208   1HZ   LYS  55          1HZ       LYS  55  -6.364 -19.269  -2.364
  209   2HZ   LYS  55          2HZ       LYS  55  -5.472 -17.838  -2.528
  210   3HZ   LYS  55          3HZ       LYS  55  -7.072 -17.779  -1.968
  211    H    GLN  56           H        GLN  56  -5.030 -11.895  -2.523
  212    HA   GLN  56           HA       GLN  56  -5.938 -12.735  -5.176
  213   1HB   GLN  56          1HB       GLN  56  -6.401 -10.207  -3.592
  214   2HB   GLN  56          2HB       GLN  56  -6.933 -10.418  -5.255
  215   1HG   GLN  56          1HG       GLN  56  -7.775 -12.172  -2.958
  216   2HG   GLN  56          2HG       GLN  56  -8.703 -10.804  -3.573
  217   1HE2  GLN  56          1HE2      GLN  56  -9.435 -13.614  -3.445
  218   2HE2  GLN  56          2HE2      GLN  56  -9.782 -14.100  -5.068
  219    H    VAL  57           H        VAL  57  -4.081 -10.042  -3.764
  220    HA   VAL  57           HA       VAL  57  -3.248  -9.269  -6.432
  221    HB   VAL  57           HB       VAL  57  -2.122  -7.535  -5.210
  222   1HG1  VAL  57          1HG1      VAL  57  -5.121  -7.927  -5.248
  223   2HG1  VAL  57          2HG1      VAL  57  -4.128  -7.244  -6.535
  224   3HG1  VAL  57          3HG1      VAL  57  -4.316  -6.375  -5.012
  225   1HG2  VAL  57          1HG2      VAL  57  -2.992  -7.059  -3.026
  226   2HG2  VAL  57          2HG2      VAL  57  -2.211  -8.641  -3.006
  227   3HG2  VAL  57          3HG2      VAL  57  -3.970  -8.524  -3.047
  228    H    ILE  58           H        ILE  58  -2.029 -11.672  -5.641
  229    HA   ILE  58           HA       ILE  58   0.669 -10.908  -4.842
  230    HB   ILE  58           HB       ILE  58  -0.321 -13.494  -5.610
  231   1HG1  ILE  58          1HG1      ILE  58  -0.179 -12.215  -2.879
  232   2HG1  ILE  58          2HG1      ILE  58  -1.661 -12.531  -3.775
  233   1HG2  ILE  58          1HG2      ILE  58   2.054 -12.550  -4.004
  234   2HG2  ILE  58          2HG2      ILE  58   2.108 -13.207  -5.640
  235   3HG2  ILE  58          3HG2      ILE  58   1.605 -14.231  -4.295
  236   1HD1  ILE  58          1HD1      ILE  58   0.281 -14.600  -2.775
  237   2HD1  ILE  58          2HD1      ILE  58  -1.183 -14.929  -3.702
  238   3HD1  ILE  58          3HD1      ILE  58  -1.301 -14.224  -2.089
  239    H    GLY  59           H        GLY  59   2.218 -10.479  -6.284
  240   1HA   GLY  59          1HA       GLY  59   3.311 -10.360  -8.307
  241   2HA   GLY  59          2HA       GLY  59   2.345 -11.727  -8.861
  242    H    LYS  60           H        LYS  60   1.068  -8.793  -7.542
  243    HA   LYS  60           HA       LYS  60   0.005  -8.063 -10.183
  244   1HB   LYS  60          1HB       LYS  60  -1.289  -8.448  -7.557
  245   2HB   LYS  60          2HB       LYS  60  -1.784  -7.003  -8.438
  246   1HG   LYS  60          1HG       LYS  60  -2.392  -8.391 -10.363
  247   2HG   LYS  60          2HG       LYS  60  -1.897  -9.831  -9.470
  248   1HD   LYS  60          1HD       LYS  60  -3.619  -9.467  -7.828
  249   2HD   LYS  60          2HD       LYS  60  -4.044  -7.920  -8.558
  250   1HE   LYS  60          1HE       LYS  60  -4.289 -10.597  -9.924
  251   2HE   LYS  60          2HE       LYS  60  -5.616  -9.747  -9.137
  252   1HZ   LYS  60          1HZ       LYS  60  -5.752  -9.251 -11.424
  253   2HZ   LYS  60          2HZ       LYS  60  -4.101  -8.919 -11.540
  254   3HZ   LYS  60          3HZ       LYS  60  -5.118  -7.854 -10.698
  255    H    ASN  61           H        ASN  61   0.224  -5.950 -10.777
  256    HA   ASN  61           HA       ASN  61   2.029  -4.358  -9.179
  257   1HB   ASN  61          1HB       ASN  61   2.180  -4.504 -11.686
  258   2HB   ASN  61          2HB       ASN  61   0.684  -3.579 -11.774
  259   1HD2  ASN  61          1HD2      ASN  61   4.076  -3.488 -11.175
  260   2HD2  ASN  61          2HD2      ASN  61   4.217  -1.763 -11.042
  261    H    PHE  62           H        PHE  62   1.320  -3.151  -7.578
  262    HA   PHE  62           HA       PHE  62  -1.355  -2.601  -7.009
  263   1HB   PHE  62          1HB       PHE  62   0.519  -2.571  -5.366
  264   2HB   PHE  62          2HB       PHE  62   1.070  -1.054  -6.067
  265    HD1  PHE  62           HD1      PHE  62   0.229   0.973  -5.305
  266    HD2  PHE  62           HD2      PHE  62  -1.821  -2.631  -4.356
  267    HE1  PHE  62           HE1      PHE  62  -1.249   2.219  -3.789
  268    HE2  PHE  62           HE2      PHE  62  -3.301  -1.391  -2.832
  269    HZ   PHE  62           HZ       PHE  62  -2.994   1.017  -2.507
  270    H    PHE  63           H        PHE  63   1.028  -0.687  -8.748
  271    HA   PHE  63           HA       PHE  63  -0.686   1.678  -8.701
  272   1HB   PHE  63          1HB       PHE  63   2.062   1.317  -9.921
  273   2HB   PHE  63          2HB       PHE  63   1.239   2.839  -9.594
  274    HD1  PHE  63           HD1      PHE  63   3.245   0.161  -8.221
  275    HD2  PHE  63           HD2      PHE  63   0.921   3.595  -7.262
  276    HE1  PHE  63           HE1      PHE  63   4.289   0.245  -5.994
  277    HE2  PHE  63           HE2      PHE  63   1.960   3.682  -5.036
  278    HZ   PHE  63           HZ       PHE  63   3.632   1.984  -4.392
  279    H    LYS  64           H        LYS  64  -1.412  -0.723 -10.347
  280    HA   LYS  64           HA       LYS  64  -1.865   0.614 -12.859
  281   1HB   LYS  64          1HB       LYS  64   0.525  -0.510 -12.823
  282   2HB   LYS  64          2HB       LYS  64  -0.400  -1.968 -13.122
  283   1HG   LYS  64          1HG       LYS  64  -0.527   0.490 -14.856
  284   2HG   LYS  64          2HG       LYS  64   0.523  -0.892 -15.164
  285   1HD   LYS  64          1HD       LYS  64  -2.485  -1.025 -14.976
  286   2HD   LYS  64          2HD       LYS  64  -1.579  -0.917 -16.485
  287   1HE   LYS  64          1HE       LYS  64  -1.327  -3.139 -14.454
  288   2HE   LYS  64          2HE       LYS  64  -2.269  -3.223 -15.940
  289   1HZ   LYS  64          1HZ       LYS  64  -0.175  -2.808 -17.169
  290   2HZ   LYS  64          2HZ       LYS  64  -0.182  -4.268 -16.310
  291   3HZ   LYS  64          3HZ       LYS  64   0.676  -2.937 -15.705
  292    H    ASP  65           H        ASP  65  -1.911  -2.466 -11.114
  293    HA   ASP  65           HA       ASP  65  -3.760  -3.694 -12.895
  294   1HB   ASP  65          1HB       ASP  65  -2.071  -4.905 -11.505
  295   2HB   ASP  65          2HB       ASP  65  -3.041  -4.535 -10.085
  296    H    VAL  66           H        VAL  66  -4.261  -3.290  -9.403
  297    HA   VAL  66           HA       VAL  66  -7.059  -2.664 -10.029
  298    HB   VAL  66           HB       VAL  66  -6.597  -4.830  -9.536
  299   1HG1  VAL  66          1HG1      VAL  66  -4.813  -4.642  -7.941
  300   2HG1  VAL  66          2HG1      VAL  66  -6.173  -5.504  -7.222
  301   3HG1  VAL  66          3HG1      VAL  66  -5.880  -3.816  -6.806
  302   1HG2  VAL  66          1HG2      VAL  66  -8.450  -5.071  -7.939
  303   2HG2  VAL  66          2HG2      VAL  66  -8.792  -3.977  -9.279
  304   3HG2  VAL  66          3HG2      VAL  66  -8.402  -3.326  -7.687
  305    H    ALA  67           H        ALA  67  -5.031  -0.873  -9.416
  306    HA   ALA  67           HA       ALA  67  -6.435   0.693  -7.476
  307   1HB   ALA  67          1HB       ALA  67  -4.593   1.063  -5.920
  308   2HB   ALA  67          2HB       ALA  67  -3.603  -0.104  -6.797
  309   3HB   ALA  67          3HB       ALA  67  -5.059  -0.637  -5.954
  310    HA   PRO  68           HA       PRO  68  -4.162   3.298 -10.452
  311   1HB   PRO  68          1HB       PRO  68  -6.216   4.099 -11.977
  312   2HB   PRO  68          2HB       PRO  68  -5.497   2.497 -12.172
  313   1HG   PRO  68          1HG       PRO  68  -8.094   3.262 -10.987
  314   2HG   PRO  68          2HG       PRO  68  -7.606   1.735 -11.736
  315   1HD   PRO  68          1HD       PRO  68  -7.711   2.386  -8.937
  316   2HD   PRO  68          2HD       PRO  68  -7.225   0.850  -9.686
  317    H    CYS  69           H        CYS  69  -6.268   3.941  -7.924
  318    HA   CYS  69           HA       CYS  69  -6.414   6.769  -8.376
  319   1HB   CYS  69          1HB       CYS  69  -7.423   6.964  -6.304
  320   2HB   CYS  69          2HB       CYS  69  -7.841   5.316  -6.739
  321    H    THR  70           H        THR  70  -3.546   5.023  -7.954
  322    HA   THR  70           HA       THR  70  -3.259   6.020  -5.218
  323    HB   THR  70           HB       THR  70  -3.541   3.749  -5.512
  324    HG1  THR  70           HG1      THR  70  -1.461   5.086  -4.274
  325   1HG2  THR  70          1HG2      THR  70  -1.640   2.428  -6.294
  326   2HG2  THR  70          2HG2      THR  70  -0.851   3.903  -6.853
  327   3HG2  THR  70          3HG2      THR  70  -2.360   3.375  -7.596
  328    H    ASP  71           H        ASP  71  -1.760   5.819  -8.357
  329    HA   ASP  71           HA       ASP  71   0.892   6.466  -7.557
  330   1HB   ASP  71          1HB       ASP  71  -0.579   6.822 -10.153
  331   2HB   ASP  71          2HB       ASP  71   1.070   7.398  -9.940
  332    H    SER  72           H        SER  72   1.858   8.306  -7.024
  333    HA   SER  72           HA       SER  72   1.167  10.882  -7.846
  334   1HB   SER  72          1HB       SER  72   0.200  11.773  -5.719
  335   2HB   SER  72          2HB       SER  72  -0.869  10.620  -6.521
  336    HG   SER  72           HG       SER  72  -0.750   9.396  -4.834
  337    HA   PRO  73           HA       PRO  73   5.149  11.549  -5.988
  338   1HB   PRO  73          1HB       PRO  73   4.315  14.295  -5.295
  339   2HB   PRO  73          2HB       PRO  73   5.623  13.750  -6.349
  340   1HG   PRO  73          1HG       PRO  73   3.400  14.860  -7.348
  341   2HG   PRO  73          2HG       PRO  73   4.231  13.536  -8.186
  342   1HD   PRO  73          1HD       PRO  73   1.758  13.456  -6.498
  343   2HD   PRO  73          2HD       PRO  73   2.110  12.610  -8.020
  344    H    GLU  74           H        GLU  74   2.238  12.158  -4.241
  345    HA   GLU  74           HA       GLU  74   3.634  12.509  -1.716
  346   1HB   GLU  74          1HB       GLU  74   1.298  12.815  -0.806
  347   2HB   GLU  74          2HB       GLU  74   1.833  14.011  -1.977
  348   1HG   GLU  74          1HG       GLU  74   0.610  12.651  -3.723
  349   2HG   GLU  74          2HG       GLU  74  -0.105  11.757  -2.381
  350    H    PHE  75           H        PHE  75   1.864  10.026  -3.440
  351    HA   PHE  75           HA       PHE  75   2.159   8.295  -1.081
  352   1HB   PHE  75          1HB       PHE  75  -0.078   8.245  -2.085
  353   2HB   PHE  75          2HB       PHE  75   0.615   7.799  -3.641
  354    HD1  PHE  75           HD1      PHE  75   1.165   5.554  -4.144
  355    HD2  PHE  75           HD2      PHE  75   0.054   6.642  -0.183
  356    HE1  PHE  75           HE1      PHE  75   1.010   3.174  -3.536
  357    HE2  PHE  75           HE2      PHE  75  -0.101   4.266   0.431
  358    HZ   PHE  75           HZ       PHE  75   0.378   2.528  -1.246
  359    H    TYR  76           H        TYR  76   2.360   7.723  -4.575
  360    HA   TYR  76           HA       TYR  76   4.247   5.662  -4.381
  361   1HB   TYR  76          1HB       TYR  76   2.846   5.930  -6.351
  362   2HB   TYR  76          2HB       TYR  76   3.589   7.486  -6.705
  363    HD1  TYR  76           HD1      TYR  76   5.326   7.572  -8.233
  364    HD2  TYR  76           HD2      TYR  76   4.511   3.889  -6.259
  365    HE1  TYR  76           HE1      TYR  76   7.033   6.461  -9.611
  366    HE2  TYR  76           HE2      TYR  76   6.211   2.768  -7.637
  367    HH   TYR  76           HH       TYR  76   7.394   3.021  -9.684
  368    H    GLY  77           H        GLY  77   4.590   9.125  -4.861
  369   1HA   GLY  77          1HA       GLY  77   7.363   9.193  -5.334
  370   2HA   GLY  77          2HA       GLY  77   6.403  10.517  -4.689
  371    H    LYS  78           H        LYS  78   5.520   9.099  -2.323
  372    HA   LYS  78           HA       LYS  78   7.871   9.484  -0.706
  373   1HB   LYS  78          1HB       LYS  78   5.021   8.766  -0.050
  374   2HB   LYS  78          2HB       LYS  78   6.282   8.792   1.175
  375   1HG   LYS  78          1HG       LYS  78   5.483  11.134  -0.544
  376   2HG   LYS  78          2HG       LYS  78   4.974  10.867   1.125
  377   1HD   LYS  78          1HD       LYS  78   7.261  11.003   1.887
  378   2HD   LYS  78          2HD       LYS  78   7.840  11.129   0.225
  379   1HE   LYS  78          1HE       LYS  78   6.583  13.243  -0.009
  380   2HE   LYS  78          2HE       LYS  78   6.118  13.125   1.689
  381   1HZ   LYS  78          1HZ       LYS  78   8.932  13.216   0.743
  382   2HZ   LYS  78          2HZ       LYS  78   8.387  13.325   2.343
  383   3HZ   LYS  78          3HZ       LYS  78   8.062  14.579   1.256
  384    H    PHE  79           H        PHE  79   5.897   6.785  -1.772
  385    HA   PHE  79           HA       PHE  79   7.192   4.714  -0.423
  386   1HB   PHE  79          1HB       PHE  79   5.168   4.349  -1.750
  387   2HB   PHE  79          2HB       PHE  79   6.037   4.759  -3.224
  388    HD1  PHE  79           HD1      PHE  79   5.424   2.177  -0.708
  389    HD2  PHE  79           HD2      PHE  79   7.642   3.214  -4.198
  390    HE1  PHE  79           HE1      PHE  79   6.060  -0.175  -1.007
  391    HE2  PHE  79           HE2      PHE  79   8.267   0.858  -4.502
  392    HZ   PHE  79           HZ       PHE  79   7.478  -0.835  -2.902
  393    H    LYS  80           H        LYS  80   7.981   6.357  -3.445
  394    HA   LYS  80           HA       LYS  80  10.314   4.745  -3.936
  395   1HB   LYS  80          1HB       LYS  80   9.350   7.298  -5.239
  396   2HB   LYS  80          2HB       LYS  80  10.727   6.357  -5.792
  397   1HG   LYS  80          1HG       LYS  80   7.895   5.347  -5.643
  398   2HG   LYS  80          2HG       LYS  80   8.687   5.945  -7.101
  399   1HD   LYS  80          1HD       LYS  80   9.720   3.637  -5.459
  400   2HD   LYS  80          2HD       LYS  80   8.659   3.447  -6.858
  401   1HE   LYS  80          1HE       LYS  80  11.404   4.704  -6.855
  402   2HE   LYS  80          2HE       LYS  80  10.995   3.106  -7.472
  403   1HZ   LYS  80          1HZ       LYS  80  11.117   4.572  -9.311
  404   2HZ   LYS  80          2HZ       LYS  80  10.145   5.734  -8.559
  405   3HZ   LYS  80          3HZ       LYS  80   9.467   4.263  -9.065
  406    H    GLU  81           H        GLU  81   9.635   7.481  -2.051
  407    HA   GLU  81           HA       GLU  81  11.994   8.972  -2.340
  408   1HB   GLU  81          1HB       GLU  81   9.798   9.645  -1.213
  409   2HB   GLU  81          2HB       GLU  81  10.384   8.782   0.203
  410   1HG   GLU  81          1HG       GLU  81  12.186  10.274   0.490
  411   2HG   GLU  81          2HG       GLU  81  11.947  10.985  -1.106
  412    H    GLY  82           H        GLY  82  11.179   6.250  -0.218
  413   1HA   GLY  82          1HA       GLY  82  13.839   6.219   0.887
  414   2HA   GLY  82          2HA       GLY  82  12.575   5.027   1.157
  415    H    VAL  83           H        VAL  83  11.946   4.165  -1.291
  416    HA   VAL  83           HA       VAL  83  13.702   2.155  -1.838
  417    HB   VAL  83           HB       VAL  83  12.099   3.561  -3.766
  418   1HG1  VAL  83          1HG1      VAL  83  13.148   0.730  -3.655
  419   2HG1  VAL  83          2HG1      VAL  83  13.718   1.993  -4.749
  420   3HG1  VAL  83          3HG1      VAL  83  12.065   1.392  -4.881
  421   1HG2  VAL  83          1HG2      VAL  83  10.809   2.983  -1.814
  422   2HG2  VAL  83          2HG2      VAL  83  11.456   1.343  -1.847
  423   3HG2  VAL  83          3HG2      VAL  83  10.414   1.908  -3.155
  424    H    ALA  84           H        ALA  84  13.477   5.106  -3.873
  425    HA   ALA  84           HA       ALA  84  15.666   4.318  -5.503
  426   1HB   ALA  84          1HB       ALA  84  14.437   7.051  -5.185
  427   2HB   ALA  84          2HB       ALA  84  13.868   5.795  -6.282
  428   3HB   ALA  84          3HB       ALA  84  15.462   6.513  -6.516
  429    H    SER  85           H        SER  85  15.430   6.074  -2.538
  430    HA   SER  85           HA       SER  85  17.984   7.327  -2.646
  431   1HB   SER  85          1HB       SER  85  15.753   7.330  -0.924
  432   2HB   SER  85          2HB       SER  85  17.122   6.780   0.037
  433    HG   SER  85           HG       SER  85  17.940   8.724  -0.032
  434    H    GLY  86           H        GLY  86  16.898   4.769  -0.432
  435   1HA   GLY  86          1HA       GLY  86  19.059   3.014  -1.104
  436   2HA   GLY  86          2HA       GLY  86  19.331   3.847   0.422
  437    H    ASN  87           H        ASN  87  16.182   3.049  -0.742
  438    HA   ASN  87           HA       ASN  87  14.475   1.824   0.080
  439   1HB   ASN  87          1HB       ASN  87  16.546   0.069   1.407
  440   2HB   ASN  87          2HB       ASN  87  14.867  -0.337   1.087
  441   1HD2  ASN  87          1HD2      ASN  87  15.349   1.172  -1.595
  442   2HD2  ASN  87          2HD2      ASN  87  16.079  -0.048  -2.582
  443    H    LEU  88           H        LEU  88  13.268   2.834   1.568
  444    HA   LEU  88           HA       LEU  88  14.254   3.148   4.242
  445   1HB   LEU  88          1HB       LEU  88  15.333   4.996   3.042
  446   2HB   LEU  88          2HB       LEU  88  13.760   5.561   2.521
  447    HG   LEU  88           HG       LEU  88  13.169   5.941   4.927
  448   1HD1  LEU  88          1HD1      LEU  88  16.111   5.439   5.374
  449   2HD1  LEU  88          2HD1      LEU  88  14.801   4.384   5.903
  450   3HD1  LEU  88          3HD1      LEU  88  14.950   6.008   6.577
  451   1HD2  LEU  88          1HD2      LEU  88  14.463   8.000   5.119
  452   2HD2  LEU  88          2HD2      LEU  88  13.907   7.758   3.463
  453   3HD2  LEU  88          3HD2      LEU  88  15.585   7.421   3.888
  454    H    ASN  89           H        ASN  89  12.737   3.735   5.738
  455    HA   ASN  89           HA       ASN  89   9.983   3.308   4.936
  456   1HB   ASN  89          1HB       ASN  89   9.585   3.362   7.435
  457   2HB   ASN  89          2HB       ASN  89  10.586   2.051   6.839
  458   1HD2  ASN  89          1HD2      ASN  89  11.801   5.334   7.234
  459   2HD2  ASN  89          2HD2      ASN  89  12.836   4.967   8.573
  460    H    THR  90           H        THR  90   8.337   4.691   5.163
  461    HA   THR  90           HA       THR  90   8.749   7.189   6.529
  462    HB   THR  90           HB       THR  90   9.445   7.518   4.341
  463    HG1  THR  90           HG1      THR  90   8.581   9.483   4.460
  464   1HG2  THR  90          1HG2      THR  90   7.751   7.719   2.592
  465   2HG2  THR  90          2HG2      THR  90   6.557   7.001   3.674
  466   3HG2  THR  90          3HG2      THR  90   7.941   6.051   3.135
  467    H    MET  91           H        MET  91   6.809   8.252   7.001
  468    HA   MET  91           HA       MET  91   4.375   6.648   6.634
  469   1HB   MET  91          1HB       MET  91   3.663   7.278   8.913
  470   2HB   MET  91          2HB       MET  91   5.127   6.311   8.919
  471   1HG   MET  91          1HG       MET  91   6.446   8.372   9.222
  472   2HG   MET  91          2HG       MET  91   4.944   9.290   9.300
  473   1HE   MET  91          1HE       MET  91   3.289   7.807  12.547
  474   2HE   MET  91          2HE       MET  91   3.086   7.190  10.908
  475   3HE   MET  91          3HE       MET  91   3.101   8.929  11.198
  476    H    PHE  92           H        PHE  92   2.740   7.740   5.767
  477    HA   PHE  92           HA       PHE  92   2.598  10.631   6.119
  478   1HB   PHE  92          1HB       PHE  92   2.294  10.969   3.654
  479   2HB   PHE  92          2HB       PHE  92   3.922  10.502   4.125
  480    HD1  PHE  92           HD1      PHE  92   0.978   9.612   2.230
  481    HD2  PHE  92           HD2      PHE  92   4.722   8.203   3.682
  482    HE1  PHE  92           HE1      PHE  92   0.912   7.768   0.606
  483    HE2  PHE  92           HE2      PHE  92   4.661   6.353   2.064
  484    HZ   PHE  92           HZ       PHE  92   2.754   6.136   0.520
  485    H    GLU  93           H        GLU  93   0.580  11.526   5.155
  486    HA   GLU  93           HA       GLU  93  -1.617   9.631   5.641
  487   1HB   GLU  93          1HB       GLU  93  -1.342  11.700   7.070
  488   2HB   GLU  93          2HB       GLU  93  -1.710  12.648   5.639
  489   1HG   GLU  93          1HG       GLU  93  -3.906  11.614   5.502
  490   2HG   GLU  93          2HG       GLU  93  -3.535  10.626   6.917
  491    H    TYR  94           H        TYR  94  -2.916   9.083   3.979
  492    HA   TYR  94           HA       TYR  94  -2.836  10.727   1.552
  493   1HB   TYR  94          1HB       TYR  94  -1.113   8.871   1.456
  494   2HB   TYR  94          2HB       TYR  94  -2.449   7.729   1.503
  495    HD1  TYR  94           HD1      TYR  94  -3.103   6.858  -0.514
  496    HD2  TYR  94           HD2      TYR  94  -1.503  10.800  -0.423
  497    HE1  TYR  94           HE1      TYR  94  -3.326   7.001  -2.955
  498    HE2  TYR  94           HE2      TYR  94  -1.724  10.951  -2.869
  499    HH   TYR  94           HH       TYR  94  -1.868   9.436  -4.810
  500    H    THR  95           H        THR  95  -4.542  10.138   0.012
  501    HA   THR  95           HA       THR  95  -6.923   9.150   1.414
  502    HB   THR  95           HB       THR  95  -6.591  10.770  -0.942
  503    HG1  THR  95           HG1      THR  95  -6.377  12.279   0.526
  504   1HG2  THR  95          1HG2      THR  95  -9.045  10.006   0.625
  505   2HG2  THR  95          2HG2      THR  95  -8.652   9.463  -1.007
  506   3HG2  THR  95          3HG2      THR  95  -8.975  11.169  -0.697
  507    H    PHE  96           H        PHE  96  -8.094   7.443   0.575
  508    HA   PHE  96           HA       PHE  96  -7.110   6.269  -1.945
  509   1HB   PHE  96          1HB       PHE  96  -7.657   4.912   0.686
  510   2HB   PHE  96          2HB       PHE  96  -7.808   4.032  -0.828
  511    HD1  PHE  96           HD1      PHE  96  -5.604   4.839  -2.425
  512    HD2  PHE  96           HD2      PHE  96  -5.771   4.274   1.782
  513    HE1  PHE  96           HE1      PHE  96  -3.191   4.352  -2.399
  514    HE2  PHE  96           HE2      PHE  96  -3.360   3.792   1.822
  515    HZ   PHE  96           HZ       PHE  96  -2.068   3.827  -0.271
  516    H    ASP  97           H        ASP  97  -8.735   6.771  -3.284
  517    HA   ASP  97           HA       ASP  97 -11.452   6.508  -2.335
  518   1HB   ASP  97          1HB       ASP  97 -12.159   7.366  -4.503
  519   2HB   ASP  97          2HB       ASP  97 -10.919   8.401  -3.814
  520    H    TYR  98           H        TYR  98  -9.608   5.114  -5.079
  521    HA   TYR  98           HA       TYR  98 -10.112   3.333  -6.406
  522   1HB   TYR  98          1HB       TYR  98  -9.099   2.199  -4.449
  523   2HB   TYR  98          2HB       TYR  98 -10.695   2.054  -3.721
  524    HD1  TYR  98           HD1      TYR  98 -11.673  -0.012  -3.884
  525    HD2  TYR  98           HD2      TYR  98  -9.089   1.245  -7.017
  526    HE1  TYR  98           HE1      TYR  98 -12.027  -2.155  -5.023
  527    HE2  TYR  98           HE2      TYR  98  -9.440  -0.900  -8.169
  528    HH   TYR  98           HH       TYR  98 -11.903  -3.104  -7.213
  529    H    GLN  99           H        GLN  99 -12.037   5.016  -6.630
  530    HA   GLN  99           HA       GLN  99 -14.133   5.138  -7.530
  531   1HB   GLN  99          1HB       GLN  99 -14.715   2.379  -6.461
  532   2HB   GLN  99          2HB       GLN  99 -15.572   3.239  -7.731
  533   1HG   GLN  99          1HG       GLN  99 -13.810   2.948  -9.266
  534   2HG   GLN  99          2HG       GLN  99 -12.673   2.470  -7.999
  535   1HE2  GLN  99          1HE2      GLN  99 -12.869   0.421  -7.068
  536   2HE2  GLN  99          2HE2      GLN  99 -13.717  -0.861  -7.861
  537    H    MET 100           H        MET 100 -13.628   3.994  -4.283
  538    HA   MET 100           HA       MET 100 -16.124   4.750  -3.155
  539   1HB   MET 100          1HB       MET 100 -14.398   3.219  -2.115
  540   2HB   MET 100          2HB       MET 100 -13.436   4.651  -1.769
  541   1HG   MET 100          1HG       MET 100 -15.050   5.478  -0.255
  542   2HG   MET 100          2HG       MET 100 -16.242   4.281  -0.757
  543   1HE   MET 100          1HE       MET 100 -12.360   3.108   1.449
  544   2HE   MET 100          2HE       MET 100 -12.700   4.752   0.911
  545   3HE   MET 100          3HE       MET 100 -12.441   3.473  -0.275
  546    H    THR 101           H        THR 101 -16.489   6.573  -1.680
  547    HA   THR 101           HA       THR 101 -15.680   9.077  -2.589
  548    HB   THR 101           HB       THR 101 -17.439   8.595  -1.157
  549    HG1  THR 101           HG1      THR 101 -17.317  10.609  -0.514
  550   1HG2  THR 101          1HG2      THR 101 -16.425   7.046   0.377
  551   2HG2  THR 101          2HG2      THR 101 -17.008   8.462   1.252
  552   3HG2  THR 101          3HG2      THR 101 -15.287   8.281   0.918
  553    HA   PRO 102           HA       PRO 102 -11.431   9.347  -1.413
  554   1HB   PRO 102          1HB       PRO 102 -11.257  12.007  -0.717
  555   2HB   PRO 102          2HB       PRO 102 -11.233  11.400  -2.375
  556   1HG   PRO 102          1HG       PRO 102 -13.513  12.528  -0.803
  557   2HG   PRO 102          2HG       PRO 102 -13.070  12.814  -2.498
  558   1HD   PRO 102          1HD       PRO 102 -15.057  11.149  -1.843
  559   2HD   PRO 102          2HD       PRO 102 -13.970  10.794  -3.201
  560    H    THR 103           H        THR 103 -12.323   7.996   0.546
  561    HA   THR 103           HA       THR 103 -12.193   9.331   3.072
  562    HB   THR 103           HB       THR 103 -11.667   7.128   3.848
  563    HG1  THR 103           HG1      THR 103 -11.081   6.577   1.488
  564   1HG2  THR 103          1HG2      THR 103 -13.844   8.204   3.972
  565   2HG2  THR 103          2HG2      THR 103 -14.004   6.492   3.580
  566   3HG2  THR 103          3HG2      THR 103 -14.191   7.707   2.315
  567    H    LYS 104           H        LYS 104 -10.508   9.303   4.606
  568    HA   LYS 104           HA       LYS 104  -7.878   9.323   3.286
  569   1HB   LYS 104          1HB       LYS 104  -8.794  10.751   5.787
  570   2HB   LYS 104          2HB       LYS 104  -7.210  10.903   5.039
  571   1HG   LYS 104          1HG       LYS 104  -8.263  11.846   3.032
  572   2HG   LYS 104          2HG       LYS 104  -9.838  11.719   3.815
  573   1HD   LYS 104          1HD       LYS 104  -8.999  13.978   4.011
  574   2HD   LYS 104          2HD       LYS 104  -9.042  13.214   5.601
  575   1HE   LYS 104          1HE       LYS 104  -6.980  14.453   5.333
  576   2HE   LYS 104          2HE       LYS 104  -6.641  12.726   5.412
  577   1HZ   LYS 104          1HZ       LYS 104  -6.818  14.307   2.902
  578   2HZ   LYS 104          2HZ       LYS 104  -6.391  12.676   3.026
  579   3HZ   LYS 104          3HZ       LYS 104  -5.369  13.869   3.670
  580    H    VAL 105           H        VAL 105  -6.091   8.430   4.243
  581    HA   VAL 105           HA       VAL 105  -6.427   6.926   6.716
  582    HB   VAL 105           HB       VAL 105  -6.950   5.627   4.847
  583   1HG1  VAL 105          1HG1      VAL 105  -5.086   4.783   3.488
  584   2HG1  VAL 105          2HG1      VAL 105  -4.042   6.012   4.197
  585   3HG1  VAL 105          3HG1      VAL 105  -5.424   6.491   3.210
  586   1HG2  VAL 105          1HG2      VAL 105  -5.758   3.716   5.612
  587   2HG2  VAL 105          2HG2      VAL 105  -6.204   4.716   6.994
  588   3HG2  VAL 105          3HG2      VAL 105  -4.546   4.730   6.389
  589    H    LYS 106           H        LYS 106  -4.340   6.320   7.650
  590    HA   LYS 106           HA       LYS 106  -2.123   7.934   6.586
  591   1HB   LYS 106          1HB       LYS 106  -2.928   8.587   8.867
  592   2HB   LYS 106          2HB       LYS 106  -2.501   6.977   9.433
  593   1HG   LYS 106          1HG       LYS 106  -0.179   7.372   9.001
  594   2HG   LYS 106          2HG       LYS 106  -0.542   8.908   8.211
  595   1HD   LYS 106          1HD       LYS 106  -1.072   8.271  11.115
  596   2HD   LYS 106          2HD       LYS 106   0.292   9.211  10.509
  597   1HE   LYS 106          1HE       LYS 106  -1.239  10.874   9.603
  598   2HE   LYS 106          2HE       LYS 106  -2.619   9.922  10.149
  599   1HZ   LYS 106          1HZ       LYS 106  -0.565  11.157  11.906
  600   2HZ   LYS 106          2HZ       LYS 106  -1.889  10.241  12.430
  601   3HZ   LYS 106          3HZ       LYS 106  -2.142  11.735  11.666
  602    H    VAL 107           H        VAL 107  -0.250   6.875   6.071
  603    HA   VAL 107           HA       VAL 107  -0.371   3.975   6.450
  604    HB   VAL 107           HB       VAL 107  -0.986   4.595   4.371
  605   1HG1  VAL 107          1HG1      VAL 107   1.732   5.862   4.158
  606   2HG1  VAL 107          2HG1      VAL 107   0.183   6.704   4.138
  607   3HG1  VAL 107          3HG1      VAL 107   0.608   5.606   2.823
  608   1HG2  VAL 107          1HG2      VAL 107   0.148   2.502   4.720
  609   2HG2  VAL 107          2HG2      VAL 107   1.709   3.294   4.500
  610   3HG2  VAL 107          3HG2      VAL 107   0.570   3.197   3.156
  611    H    HIS 108           H        HIS 108   1.444   2.938   6.955
  612    HA   HIS 108           HA       HIS 108   3.893   4.553   7.256
  613   1HB   HIS 108          1HB       HIS 108   2.766   3.985   9.428
  614   2HB   HIS 108          2HB       HIS 108   2.960   2.281   9.040
  615    HD1  HIS 108           HD1      HIS 108   4.332   2.169  11.315
  616    HD2  HIS 108           HD2      HIS 108   6.078   4.399   8.260
  617    HE1  HIS 108           HE1      HIS 108   6.735   2.487  11.985
  618    HE2  HIS 108           HE2      HIS 108   7.803   3.728  10.071
  619    H    MET 109           H        MET 109   5.088   3.910   5.571
  620    HA   MET 109           HA       MET 109   5.178   1.039   4.937
  621   1HB   MET 109          1HB       MET 109   6.030   1.653   2.756
  622   2HB   MET 109          2HB       MET 109   4.583   2.588   3.094
  623   1HG   MET 109          1HG       MET 109   5.988   4.129   2.115
  624   2HG   MET 109          2HG       MET 109   6.202   4.438   3.836
  625   1HE   MET 109          1HE       MET 109   7.802   2.908   0.577
  626   2HE   MET 109          2HE       MET 109   7.624   1.511   1.638
  627   3HE   MET 109          3HE       MET 109   9.232   2.114   1.241
  628    H    LYS 110           H        LYS 110   7.142  -0.077   4.802
  629    HA   LYS 110           HA       LYS 110   9.565   1.249   5.753
  630   1HB   LYS 110          1HB       LYS 110   8.264  -1.035   7.267
  631   2HB   LYS 110          2HB       LYS 110   9.867  -0.399   7.583
  632   1HG   LYS 110          1HG       LYS 110   8.872   1.750   8.231
  633   2HG   LYS 110          2HG       LYS 110   7.266   1.074   7.938
  634   1HD   LYS 110          1HD       LYS 110   7.826   0.991  10.314
  635   2HD   LYS 110          2HD       LYS 110   7.673  -0.634   9.643
  636   1HE   LYS 110          1HE       LYS 110  10.146  -0.698   9.391
  637   2HE   LYS 110          2HE       LYS 110  10.233   0.855  10.219
  638   1HZ   LYS 110          1HZ       LYS 110   9.235  -0.157  12.168
  639   2HZ   LYS 110          2HZ       LYS 110  10.635  -1.008  11.718
  640   3HZ   LYS 110          3HZ       LYS 110   9.106  -1.647  11.361
  641    H    LYS 111           H        LYS 111  11.430   0.082   5.157
  642    HA   LYS 111           HA       LYS 111  11.077  -2.072   3.303
  643   1HB   LYS 111          1HB       LYS 111  12.977  -0.468   3.143
  644   2HB   LYS 111          2HB       LYS 111  13.610  -1.099   4.660
  645   1HG   LYS 111          1HG       LYS 111  13.585  -3.379   3.457
  646   2HG   LYS 111          2HG       LYS 111  13.465  -2.411   1.986
  647   1HD   LYS 111          1HD       LYS 111  15.513  -1.230   2.589
  648   2HD   LYS 111          2HD       LYS 111  15.631  -2.189   4.067
  649   1HE   LYS 111          1HE       LYS 111  15.627  -3.317   1.276
  650   2HE   LYS 111          2HE       LYS 111  17.075  -3.016   2.233
  651   1HZ   LYS 111          1HZ       LYS 111  16.389  -4.631   3.827
  652   2HZ   LYS 111          2HZ       LYS 111  16.263  -5.356   2.294
  653   3HZ   LYS 111          3HZ       LYS 111  14.874  -4.816   3.094
  654    H    ALA 112           H        ALA 112  11.509  -4.247   3.633
  655    HA   ALA 112           HA       ALA 112  12.324  -5.074   6.329
  656   1HB   ALA 112          1HB       ALA 112   9.888  -5.333   6.140
  657   2HB   ALA 112          2HB       ALA 112  10.705  -6.888   6.299
  658   3HB   ALA 112          3HB       ALA 112  10.115  -6.357   4.724
  659    H    LEU 113           H        LEU 113  12.106  -7.837   5.713
  660    HA   LEU 113           HA       LEU 113  14.004  -8.188   3.524
  661   1HB   LEU 113          1HB       LEU 113  15.363  -9.724   4.885
  662   2HB   LEU 113          2HB       LEU 113  15.395  -8.086   5.492
  663    HG   LEU 113           HG       LEU 113  13.550 -10.125   6.707
  664   1HD1  LEU 113          1HD1      LEU 113  15.782 -11.115   6.713
  665   2HD1  LEU 113          2HD1      LEU 113  15.306 -10.626   8.340
  666   3HD1  LEU 113          3HD1      LEU 113  16.443  -9.641   7.419
  667   1HD2  LEU 113          1HD2      LEU 113  13.215  -7.787   7.329
  668   2HD2  LEU 113          2HD2      LEU 113  14.913  -7.650   7.772
  669   3HD2  LEU 113          3HD2      LEU 113  13.845  -8.709   8.692
  670    H    SER 114           H        SER 114  14.382 -10.950   3.874
  671    HA   SER 114           HA       SER 114  13.445 -12.949   3.338
  672   1HB   SER 114          1HB       SER 114  10.829 -11.858   4.421
  673   2HB   SER 114          2HB       SER 114  11.263 -13.552   4.199
  674    HG   SER 114           HG       SER 114  11.432 -12.668   6.400
  675    H    GLY 115           H        GLY 115  13.895 -11.838   1.210
  676   1HA   GLY 115          1HA       GLY 115  13.008 -12.013  -1.014
  677   2HA   GLY 115          2HA       GLY 115  11.410 -11.666  -0.364
  678    H    ASP 116           H        ASP 116  13.205  -9.655   1.291
  679    HA   ASP 116           HA       ASP 116  13.409  -7.410   1.354
  680   1HB   ASP 116          1HB       ASP 116  14.705  -8.142  -1.240
  681   2HB   ASP 116          2HB       ASP 116  14.582  -6.450  -0.770
  682    H    SER 117           H        SER 117  11.129  -7.102   1.404
  683    HA   SER 117           HA       SER 117  10.327  -5.318  -0.724
  684   1HB   SER 117          1HB       SER 117   8.223  -7.107   0.462
  685   2HB   SER 117          2HB       SER 117   8.229  -6.283  -1.109
  686    HG   SER 117           HG       SER 117  10.229  -7.854  -1.305
  687    H    TYR 118           H        TYR 118   8.119  -4.174   0.260
  688    HA   TYR 118           HA       TYR 118   9.109  -3.148   2.811
  689   1HB   TYR 118          1HB       TYR 118   7.358  -1.839   0.713
  690   2HB   TYR 118          2HB       TYR 118   7.912  -1.081   2.205
  691    HD1  TYR 118           HD1      TYR 118   8.952  -2.354  -1.074
  692    HD2  TYR 118           HD2      TYR 118  10.123  -0.256   2.422
  693    HE1  TYR 118           HE1      TYR 118  11.025  -1.647  -2.205
  694    HE2  TYR 118           HE2      TYR 118  12.201   0.468   1.312
  695    HH   TYR 118           HH       TYR 118  12.734  -0.085  -2.085
  696    H    TRP 119           H        TRP 119   7.704  -2.805   4.471
  697    HA   TRP 119           HA       TRP 119   5.108  -4.138   4.239
  698   1HB   TRP 119          1HB       TRP 119   7.010  -3.637   6.489
  699   2HB   TRP 119          2HB       TRP 119   5.288  -3.787   6.853
  700    HD1  TRP 119           HD1      TRP 119   8.311  -5.832   5.868
  701    HE1  TRP 119           HE1      TRP 119   7.696  -8.332   5.869
  702    HE3  TRP 119           HE3      TRP 119   3.252  -5.398   6.416
  703    HZ2  TRP 119           HZ2      TRP 119   5.354  -9.905   6.078
  704    HZ3  TRP 119           HZ3      TRP 119   1.894  -7.447   6.501
  705    HH2  TRP 119           HH2      TRP 119   2.922  -9.651   6.337
  706    H    VAL 120           H        VAL 120   3.725  -2.737   3.534
  707    HA   VAL 120           HA       VAL 120   3.720  -0.028   4.634
  708    HB   VAL 120           HB       VAL 120   3.959  -0.196   2.435
  709   1HG1  VAL 120          1HG1      VAL 120   3.017  -2.374   1.985
  710   2HG1  VAL 120          2HG1      VAL 120   2.254  -1.152   0.969
  711   3HG1  VAL 120          3HG1      VAL 120   1.402  -1.784   2.378
  712   1HG2  VAL 120          1HG2      VAL 120   2.039   1.133   1.709
  713   2HG2  VAL 120          2HG2      VAL 120   2.695   1.666   3.257
  714   3HG2  VAL 120          3HG2      VAL 120   1.206   0.721   3.208
  715    H    PHE 121           H        PHE 121   2.517   0.143   6.375
  716    HA   PHE 121           HA       PHE 121   0.070  -1.477   6.626
  717   1HB   PHE 121          1HB       PHE 121   1.327   0.130   8.838
  718   2HB   PHE 121          2HB       PHE 121   0.263  -1.261   8.969
  719    HD1  PHE 121           HD1      PHE 121   3.622  -0.125   9.040
  720    HD2  PHE 121           HD2      PHE 121   1.198  -3.507   8.155
  721    HE1  PHE 121           HE1      PHE 121   5.583  -1.590   9.281
  722    HE2  PHE 121           HE2      PHE 121   3.154  -4.980   8.396
  723    HZ   PHE 121           HZ       PHE 121   5.356  -3.987   9.095
  724    H    VAL 122           H        VAL 122  -1.913  -0.519   6.863
  725    HA   VAL 122           HA       VAL 122  -1.928   2.424   6.871
  726    HB   VAL 122           HB       VAL 122  -4.056   2.300   6.002
  727   1HG1  VAL 122          1HG1      VAL 122  -1.817   0.999   4.461
  728   2HG1  VAL 122          2HG1      VAL 122  -2.118   2.729   4.620
  729   3HG1  VAL 122          3HG1      VAL 122  -3.263   1.712   3.746
  730   1HG2  VAL 122          1HG2      VAL 122  -3.449  -0.630   5.692
  731   2HG2  VAL 122          2HG2      VAL 122  -4.784   0.233   4.930
  732   3HG2  VAL 122          3HG2      VAL 122  -4.722   0.078   6.686
  733    H    LYS 123           H        LYS 123  -3.502   3.530   8.051
  734    HA   LYS 123           HA       LYS 123  -5.506   2.200   9.586
  735   1HB   LYS 123          1HB       LYS 123  -4.696   2.994  11.815
  736   2HB   LYS 123          2HB       LYS 123  -3.733   1.698  11.120
  737   1HG   LYS 123          1HG       LYS 123  -1.986   3.214  10.536
  738   2HG   LYS 123          2HG       LYS 123  -2.982   4.609  10.963
  739   1HD   LYS 123          1HD       LYS 123  -1.325   4.071  12.707
  740   2HD   LYS 123          2HD       LYS 123  -2.984   3.940  13.290
  741   1HE   LYS 123          1HE       LYS 123  -2.840   1.473  12.844
  742   2HE   LYS 123          2HE       LYS 123  -1.120   1.697  12.528
  743   1HZ   LYS 123          1HZ       LYS 123  -2.489   2.399  15.072
  744   2HZ   LYS 123          2HZ       LYS 123  -0.822   2.509  14.763
  745   3HZ   LYS 123          3HZ       LYS 123  -1.578   0.990  14.816
  746    H    ARG 124           H        ARG 124  -6.921   3.770  10.672
  747    HA   ARG 124           HA       ARG 124  -7.188   6.020   8.937
  748   1HB   ARG 124          1HB       ARG 124  -9.101   4.666   9.906
  749   2HB   ARG 124          2HB       ARG 124  -8.820   5.524  11.417
  750   1HG   ARG 124          1HG       ARG 124  -9.116   7.664  10.141
  751   2HG   ARG 124          2HG       ARG 124  -9.647   6.687   8.773
  752   1HD   ARG 124          1HD       ARG 124 -11.399   5.707  10.285
  753   2HD   ARG 124          2HD       ARG 124 -10.939   6.917  11.485
  754    HE   ARG 124           HE       ARG 124 -12.420   7.350   9.026
  755   1HH1  ARG 124          1HH1      ARG 124 -10.630   8.817  11.665
  756   2HH1  ARG 124          2HH1      ARG 124 -11.293  10.405  11.398
  757   1HH2  ARG 124          1HH2      ARG 124 -13.322   9.419   8.697
  758   2HH2  ARG 124          2HH2      ARG 124 -12.835  10.747   9.717
  759    H    VAL 125           H        VAL 125  -5.603   7.446   9.225
  760    HA   VAL 125           HA       VAL 125  -4.480   9.238  10.029
  761    HB   VAL 125           HB       VAL 125  -6.905   9.657  11.499
  762   1HG1  VAL 125          1HG1      VAL 125  -4.790  11.464  10.325
  763   2HG1  VAL 125          2HG1      VAL 125  -5.083  11.176  12.041
  764   3HG1  VAL 125          3HG1      VAL 125  -6.296  12.006  11.066
  765   1HG2  VAL 125          1HG2      VAL 125  -7.427   9.037   9.203
  766   2HG2  VAL 125          2HG2      VAL 125  -6.264  10.225   8.614
  767   3HG2  VAL 125          3HG2      VAL 125  -7.702  10.756   9.485
  768    H2   HC4 169           H2       HC4 169  -6.878   3.331  -2.912
  769    H3   HC4 169           H3       HC4 169  -6.660   1.107  -4.877
  770    H2'  HC4 169           H2'      HC4 169  -6.992  -1.162  -3.823
  771    H3'  HC4 169           H3'      HC4 169  -7.558  -2.586  -1.901
  772    H5'  HC4 169           H5'      HC4 169  -7.790   0.872   0.577
  773    H6'  HC4 169           H6'      HC4 169  -7.279   2.293  -1.365
  Start of MODEL   10
    1    H    LEU  26           H        LEU  26 -10.990  -6.118  10.112
    2    HA   LEU  26           HA       LEU  26 -10.574  -7.775  12.521
    3   1HB   LEU  26          1HB       LEU  26  -9.296  -8.397  10.379
    4   2HB   LEU  26          2HB       LEU  26  -8.439  -6.889  10.587
    5    HG   LEU  26           HG       LEU  26  -8.497  -9.129  12.573
    6   1HD1  LEU  26          1HD1      LEU  26  -6.227  -9.624  11.816
    7   2HD1  LEU  26          2HD1      LEU  26  -6.392  -8.401  10.558
    8   3HD1  LEU  26          3HD1      LEU  26  -7.414  -9.838  10.530
    9   1HD2  LEU  26          1HD2      LEU  26  -8.015  -6.983  13.612
   10   2HD2  LEU  26          2HD2      LEU  26  -6.760  -6.672  12.413
   11   3HD2  LEU  26          3HD2      LEU  26  -6.565  -7.985  13.573
   12    H    ALA  27           H        ALA  27  -8.908  -5.068  10.863
   13    HA   ALA  27           HA       ALA  27  -9.678  -3.075  12.691
   14   1HB   ALA  27          1HB       ALA  27  -6.941  -4.217  13.258
   15   2HB   ALA  27          2HB       ALA  27  -8.358  -4.404  14.292
   16   3HB   ALA  27          3HB       ALA  27  -7.667  -2.803  14.024
   17    H    PHE  28           H        PHE  28  -6.413  -3.780  11.484
   18    HA   PHE  28           HA       PHE  28  -6.741  -1.595   9.546
   19   1HB   PHE  28          1HB       PHE  28  -4.448  -0.858   9.969
   20   2HB   PHE  28          2HB       PHE  28  -5.400  -0.785  11.446
   21    HD1  PHE  28           HD1      PHE  28  -2.572  -2.309   9.770
   22    HD2  PHE  28           HD2      PHE  28  -5.028  -2.421  13.242
   23    HE1  PHE  28           HE1      PHE  28  -0.878  -3.669  10.919
   24    HE2  PHE  28           HE2      PHE  28  -3.334  -3.778  14.402
   25    HZ   PHE  28           HZ       PHE  28  -1.239  -4.374  13.247
   26    H    GLY  29           H        GLY  29  -5.099  -1.696   7.773
   27   1HA   GLY  29          1HA       GLY  29  -4.872  -4.518   6.983
   28   2HA   GLY  29          2HA       GLY  29  -5.003  -3.160   5.876
   29    H    ALA  30           H        ALA  30  -2.951  -5.393   7.088
   30    HA   ALA  30           HA       ALA  30  -0.568  -3.754   6.610
   31   1HB   ALA  30          1HB       ALA  30  -0.812  -6.507   7.827
   32   2HB   ALA  30          2HB       ALA  30  -0.567  -5.001   8.710
   33   3HB   ALA  30          3HB       ALA  30   0.688  -5.600   7.626
   34    H    ILE  31           H        ILE  31   0.504  -3.977   4.751
   35    HA   ILE  31           HA       ILE  31  -0.071  -6.327   3.062
   36    HB   ILE  31           HB       ILE  31   0.278  -3.591   2.221
   37   1HG1  ILE  31          1HG1      ILE  31  -2.225  -5.265   2.389
   38   2HG1  ILE  31          2HG1      ILE  31  -1.821  -3.944   3.478
   39   1HG2  ILE  31          1HG2      ILE  31   1.024  -5.264   0.601
   40   2HG2  ILE  31          2HG2      ILE  31  -0.453  -4.462   0.067
   41   3HG2  ILE  31          3HG2      ILE  31  -0.527  -6.090   0.742
   42   1HD1  ILE  31          1HD1      ILE  31  -2.290  -3.713   0.514
   43   2HD1  ILE  31          2HD1      ILE  31  -1.865  -2.385   1.594
   44   3HD1  ILE  31          3HD1      ILE  31  -3.403  -3.226   1.793
   45    H    GLN  32           H        GLN  32   1.688  -7.045   1.803
   46    HA   GLN  32           HA       GLN  32   4.227  -5.614   2.232
   47   1HB   GLN  32          1HB       GLN  32   4.182  -7.961   3.062
   48   2HB   GLN  32          2HB       GLN  32   3.822  -8.518   1.428
   49   1HG   GLN  32          1HG       GLN  32   5.962  -7.718   0.648
   50   2HG   GLN  32          2HG       GLN  32   6.320  -7.031   2.233
   51   1HE2  GLN  32          1HE2      GLN  32   8.188  -8.287   2.401
   52   2HE2  GLN  32          2HE2      GLN  32   8.121  -9.982   2.745
   53    H    LEU  33           H        LEU  33   5.294  -4.828   0.477
   54    HA   LEU  33           HA       LEU  33   4.463  -5.736  -2.157
   55   1HB   LEU  33          1HB       LEU  33   4.133  -3.592  -3.089
   56   2HB   LEU  33          2HB       LEU  33   3.162  -3.664  -1.641
   57    HG   LEU  33           HG       LEU  33   5.848  -2.291  -1.790
   58   1HD1  LEU  33          1HD1      LEU  33   3.078  -1.111  -1.959
   59   2HD1  LEU  33          2HD1      LEU  33   4.233  -1.227  -3.287
   60   3HD1  LEU  33          3HD1      LEU  33   4.592  -0.208  -1.892
   61   1HD2  LEU  33          1HD2      LEU  33   3.659  -2.321   0.281
   62   2HD2  LEU  33          2HD2      LEU  33   4.980  -1.154   0.264
   63   3HD2  LEU  33          3HD2      LEU  33   5.325  -2.868   0.467
   64    H    ASP  34           H        ASP  34   6.054  -5.340  -3.837
   65    HA   ASP  34           HA       ASP  34   8.707  -4.889  -2.660
   66   1HB   ASP  34          1HB       ASP  34   9.707  -6.119  -4.471
   67   2HB   ASP  34          2HB       ASP  34   8.435  -7.088  -3.752
   68    H    GLY  35           H        GLY  35  10.334  -4.006  -4.316
   69   1HA   GLY  35          1HA       GLY  35   9.717  -1.303  -4.509
   70   2HA   GLY  35          2HA       GLY  35  11.101  -2.071  -5.253
   71    H    ASP  36           H        ASP  36   8.859  -3.723  -6.789
   72    HA   ASP  36           HA       ASP  36   8.807  -1.812  -8.996
   73   1HB   ASP  36          1HB       ASP  36   9.494  -4.183  -9.377
   74   2HB   ASP  36          2HB       ASP  36   7.858  -4.686  -8.959
   75    H    GLY  37           H        GLY  37   6.778  -2.947  -6.503
   76   1HA   GLY  37          1HA       GLY  37   4.736  -1.687  -6.109
   77   2HA   GLY  37          2HA       GLY  37   4.465  -1.696  -7.846
   78    H    ASN  38           H        ASN  38   5.679  -4.652  -6.979
   79    HA   ASN  38           HA       ASN  38   3.195  -5.965  -7.469
   80   1HB   ASN  38          1HB       ASN  38   5.864  -7.020  -6.527
   81   2HB   ASN  38          2HB       ASN  38   4.475  -8.043  -6.878
   82   1HD2  ASN  38          1HD2      ASN  38   7.187  -7.737  -8.073
   83   2HD2  ASN  38          2HD2      ASN  38   6.889  -7.551  -9.776
   84    H    ILE  39           H        ILE  39   1.784  -6.864  -6.100
   85    HA   ILE  39           HA       ILE  39   2.117  -6.340  -3.265
   86    HB   ILE  39           HB       ILE  39   0.001  -7.784  -4.558
   87   1HG1  ILE  39          1HG1      ILE  39   0.338  -4.805  -4.196
   88   2HG1  ILE  39          2HG1      ILE  39   0.360  -5.663  -5.734
   89   1HG2  ILE  39          1HG2      ILE  39  -1.234  -6.838  -2.628
   90   2HG2  ILE  39          2HG2      ILE  39   0.281  -6.169  -2.020
   91   3HG2  ILE  39          3HG2      ILE  39   0.073  -7.916  -2.136
   92   1HD1  ILE  39          1HD1      ILE  39  -1.980  -5.515  -3.849
   93   2HD1  ILE  39          2HD1      ILE  39  -1.953  -6.324  -5.417
   94   3HD1  ILE  39          3HD1      ILE  39  -1.779  -4.571  -5.326
   95    H    LEU  40           H        LEU  40   2.282  -7.889  -1.696
   96    HA   LEU  40           HA       LEU  40   3.049 -10.579  -2.570
   97   1HB   LEU  40          1HB       LEU  40   3.518  -8.927  -0.112
   98   2HB   LEU  40          2HB       LEU  40   3.756 -10.654  -0.065
   99    HG   LEU  40           HG       LEU  40   5.862  -9.436  -0.415
  100   1HD1  LEU  40          1HD1      LEU  40   6.664 -10.740  -2.339
  101   2HD1  LEU  40          2HD1      LEU  40   4.994 -11.128  -2.750
  102   3HD1  LEU  40          3HD1      LEU  40   5.686 -11.706  -1.234
  103   1HD2  LEU  40          1HD2      LEU  40   5.067  -7.525  -1.665
  104   2HD2  LEU  40          2HD2      LEU  40   4.611  -8.565  -3.013
  105   3HD2  LEU  40          3HD2      LEU  40   6.313  -8.368  -2.587
  106    H    GLN  41           H        GLN  41   1.396  -9.113   0.190
  107    HA   GLN  41           HA       GLN  41  -0.870 -10.818  -0.073
  108   1HB   GLN  41          1HB       GLN  41  -0.517 -11.770   2.299
  109   2HB   GLN  41          2HB       GLN  41   0.349 -12.514   0.966
  110   1HG   GLN  41          1HG       GLN  41   1.851 -12.356   2.785
  111   2HG   GLN  41          2HG       GLN  41   2.344 -11.154   1.600
  112   1HE2  GLN  41          1HE2      GLN  41   0.973 -11.702   4.737
  113   2HE2  GLN  41          2HE2      GLN  41   1.139 -10.078   5.314
  114    H    TYR  42           H        TYR  42  -2.346 -10.504   1.777
  115    HA   TYR  42           HA       TYR  42  -2.101  -7.806   2.915
  116   1HB   TYR  42          1HB       TYR  42  -4.563  -9.356   2.094
  117   2HB   TYR  42          2HB       TYR  42  -4.647  -8.003   3.204
  118    HD1  TYR  42           HD1      TYR  42  -6.247  -7.023   1.551
  119    HD2  TYR  42           HD2      TYR  42  -2.161  -7.693   0.592
  120    HE1  TYR  42           HE1      TYR  42  -6.434  -5.428  -0.292
  121    HE2  TYR  42           HE2      TYR  42  -2.337  -6.099  -1.271
  122    HH   TYR  42           HH       TYR  42  -4.929  -3.972  -1.643
  123    H    ASN  43           H        ASN  43  -3.555  -7.672   4.965
  124    HA   ASN  43           HA       ASN  43  -2.623  -9.735   6.789
  125   1HB   ASN  43          1HB       ASN  43  -2.442  -7.285   7.300
  126   2HB   ASN  43          2HB       ASN  43  -4.199  -7.224   7.365
  127   1HD2  ASN  43          1HD2      ASN  43  -4.258  -6.573   9.493
  128   2HD2  ASN  43          2HD2      ASN  43  -3.836  -7.644  10.813
  129    H    ALA  44           H        ALA  44  -5.016  -9.610   4.791
  130    HA   ALA  44           HA       ALA  44  -7.026 -10.621   4.501
  131   1HB   ALA  44          1HB       ALA  44  -6.662 -11.719   7.285
  132   2HB   ALA  44          2HB       ALA  44  -6.110 -12.491   5.798
  133   3HB   ALA  44          3HB       ALA  44  -7.836 -12.268   6.089
  134    H    ALA  45           H        ALA  45  -6.375  -8.500   7.015
  135    HA   ALA  45           HA       ALA  45  -8.848  -8.017   8.182
  136   1HB   ALA  45          1HB       ALA  45  -6.776  -7.149   9.069
  137   2HB   ALA  45          2HB       ALA  45  -7.896  -5.822   8.758
  138   3HB   ALA  45          3HB       ALA  45  -6.564  -6.135   7.642
  139    H    GLU  46           H        GLU  46  -7.513  -6.924   5.140
  140    HA   GLU  46           HA       GLU  46  -9.541  -4.935   4.723
  141   1HB   GLU  46          1HB       GLU  46  -7.214  -4.786   3.813
  142   2HB   GLU  46          2HB       GLU  46  -7.604  -6.106   2.721
  143   1HG   GLU  46          1HG       GLU  46  -7.733  -3.885   1.674
  144   2HG   GLU  46          2HG       GLU  46  -9.251  -4.779   1.608
  145    HE2  GLU  46           HE2      GLU  46  -8.197  -1.346   2.468
  146    H    GLY  47           H        GLY  47  -9.290  -8.293   4.330
  147   1HA   GLY  47          1HA       GLY  47 -11.197  -8.662   2.250
  148   2HA   GLY  47          2HA       GLY  47 -10.717  -9.863   3.443
  149    H    ASP  48           H        ASP  48 -11.429  -7.765   5.548
  150    HA   ASP  48           HA       ASP  48 -14.080  -8.582   6.094
  151   1HB   ASP  48          1HB       ASP  48 -12.292  -6.434   7.205
  152   2HB   ASP  48          2HB       ASP  48 -13.970  -6.555   7.715
  153    H    ILE  49           H        ILE  49 -12.739  -5.520   4.885
  154    HA   ILE  49           HA       ILE  49 -15.387  -4.367   4.811
  155    HB   ILE  49           HB       ILE  49 -12.887  -3.306   3.901
  156   1HG1  ILE  49          1HG1      ILE  49 -14.261  -3.234   6.573
  157   2HG1  ILE  49          2HG1      ILE  49 -12.703  -3.952   6.186
  158   1HG2  ILE  49          1HG2      ILE  49 -15.549  -2.068   4.609
  159   2HG2  ILE  49          2HG2      ILE  49 -14.857  -2.178   2.990
  160   3HG2  ILE  49          3HG2      ILE  49 -14.079  -1.176   4.217
  161   1HD1  ILE  49          1HD1      ILE  49 -13.369  -1.025   6.095
  162   2HD1  ILE  49          2HD1      ILE  49 -11.815  -1.739   5.667
  163   3HD1  ILE  49          3HD1      ILE  49 -12.405  -1.845   7.325
  164    H    THR  50           H        THR  50 -12.810  -4.337   2.302
  165    HA   THR  50           HA       THR  50 -14.415  -5.490   0.295
  166    HB   THR  50           HB       THR  50 -15.630  -3.604   0.636
  167    HG1  THR  50           HG1      THR  50 -14.409  -3.116  -1.826
  168   1HG2  THR  50          1HG2      THR  50 -13.952  -2.058   1.430
  169   2HG2  THR  50          2HG2      THR  50 -14.760  -1.406   0.004
  170   3HG2  THR  50          3HG2      THR  50 -13.144  -2.097  -0.136
  171    H    GLY  51           H        GLY  51 -11.813  -5.873   1.053
  172   1HA   GLY  51          1HA       GLY  51 -10.216  -4.497  -1.007
  173   2HA   GLY  51          2HA       GLY  51  -9.571  -5.173   0.476
  174    H    ARG  52           H        ARG  52  -8.497  -6.997   0.253
  175    HA   ARG  52           HA       ARG  52  -9.099  -8.792  -1.995
  176   1HB   ARG  52          1HB       ARG  52  -6.429  -7.526  -1.360
  177   2HB   ARG  52          2HB       ARG  52  -6.617  -8.909  -2.430
  178   1HG   ARG  52          1HG       ARG  52  -7.914  -6.234  -2.901
  179   2HG   ARG  52          2HG       ARG  52  -6.363  -6.724  -3.584
  180   1HD   ARG  52          1HD       ARG  52  -7.746  -8.800  -4.401
  181   2HD   ARG  52          2HD       ARG  52  -9.109  -7.700  -4.201
  182    HE   ARG  52           HE       ARG  52  -7.065  -6.431  -5.678
  183   1HH1  ARG  52          1HH1      ARG  52  -9.506  -8.914  -5.979
  184   2HH1  ARG  52          2HH1      ARG  52  -9.648  -8.760  -7.705
  185   1HH2  ARG  52          1HH2      ARG  52  -7.179  -6.262  -7.974
  186   2HH2  ARG  52          2HH2      ARG  52  -8.316  -7.259  -8.837
  187    H    ASP  53           H        ASP  53  -8.467 -10.942  -1.664
  188    HA   ASP  53           HA       ASP  53  -7.432 -11.754   0.913
  189   1HB   ASP  53          1HB       ASP  53  -7.915 -13.267  -1.667
  190   2HB   ASP  53          2HB       ASP  53  -7.228 -14.013  -0.232
  191    HA   PRO  54           HA       PRO  54  -3.077 -11.547  -0.061
  192   1HB   PRO  54          1HB       PRO  54  -2.299 -14.079   0.806
  193   2HB   PRO  54          2HB       PRO  54  -2.380 -12.628   1.807
  194   1HG   PRO  54          1HG       PRO  54  -4.320 -14.870   1.554
  195   2HG   PRO  54          2HG       PRO  54  -3.897 -13.901   2.976
  196   1HD   PRO  54          1HD       PRO  54  -6.197 -13.535   1.623
  197   2HD   PRO  54          2HD       PRO  54  -5.331 -12.189   2.392
  198    H    LYS  55           H        LYS  55  -4.962 -14.358  -1.016
  199    HA   LYS  55           HA       LYS  55  -3.111 -15.331  -2.955
  200   1HB   LYS  55          1HB       LYS  55  -6.066 -15.830  -2.587
  201   2HB   LYS  55          2HB       LYS  55  -5.083 -16.649  -3.789
  202   1HG   LYS  55          1HG       LYS  55  -3.657 -17.492  -1.904
  203   2HG   LYS  55          2HG       LYS  55  -4.868 -16.840  -0.795
  204   1HD   LYS  55          1HD       LYS  55  -5.398 -18.868  -2.970
  205   2HD   LYS  55          2HD       LYS  55  -5.211 -19.237  -1.255
  206   1HE   LYS  55          1HE       LYS  55  -7.295 -17.325  -2.281
  207   2HE   LYS  55          2HE       LYS  55  -7.589 -19.057  -2.134
  208   1HZ   LYS  55          1HZ       LYS  55  -8.303 -17.647  -0.195
  209   2HZ   LYS  55          2HZ       LYS  55  -6.656 -17.405   0.144
  210   3HZ   LYS  55          3HZ       LYS  55  -7.308 -18.969   0.178
  211    H    GLN  56           H        GLN  56  -5.417 -12.776  -2.960
  212    HA   GLN  56           HA       GLN  56  -5.984 -12.928  -5.787
  213   1HB   GLN  56          1HB       GLN  56  -6.705 -10.819  -3.751
  214   2HB   GLN  56          2HB       GLN  56  -7.256 -10.840  -5.418
  215   1HG   GLN  56          1HG       GLN  56  -8.300 -13.075  -4.925
  216   2HG   GLN  56          2HG       GLN  56  -7.943 -12.768  -3.223
  217   1HE2  GLN  56          1HE2      GLN  56 -10.091 -12.651  -2.597
  218   2HE2  GLN  56          2HE2      GLN  56 -11.125 -11.347  -3.072
  219    H    VAL  57           H        VAL  57  -3.592 -11.428  -3.841
  220    HA   VAL  57           HA       VAL  57  -2.987  -9.557  -6.029
  221    HB   VAL  57           HB       VAL  57  -1.938  -8.256  -4.300
  222   1HG1  VAL  57          1HG1      VAL  57  -4.939  -8.590  -4.507
  223   2HG1  VAL  57          2HG1      VAL  57  -3.920  -7.649  -5.595
  224   3HG1  VAL  57          3HG1      VAL  57  -4.101  -7.155  -3.912
  225   1HG2  VAL  57          1HG2      VAL  57  -3.803  -9.940  -2.624
  226   2HG2  VAL  57          2HG2      VAL  57  -3.028  -8.440  -2.110
  227   3HG2  VAL  57          3HG2      VAL  57  -2.047  -9.859  -2.478
  228    H    ILE  58           H        ILE  58  -1.711 -11.752  -6.469
  229    HA   ILE  58           HA       ILE  58   0.984 -11.098  -5.502
  230    HB   ILE  58           HB       ILE  58   1.563 -13.283  -6.283
  231   1HG1  ILE  58          1HG1      ILE  58  -1.399 -13.683  -5.875
  232   2HG1  ILE  58          2HG1      ILE  58  -0.549 -13.820  -7.410
  233   1HG2  ILE  58          1HG2      ILE  58   1.034 -14.153  -4.062
  234   2HG2  ILE  58          2HG2      ILE  58  -0.110 -12.831  -3.821
  235   3HG2  ILE  58          3HG2      ILE  58   1.612 -12.487  -3.994
  236   1HD1  ILE  58          1HD1      ILE  58  -0.084 -15.549  -4.994
  237   2HD1  ILE  58          2HD1      ILE  58   0.718 -15.703  -6.556
  238   3HD1  ILE  58          3HD1      ILE  58  -1.016 -15.997  -6.422
  239    H    GLY  59           H        GLY  59   2.541 -10.675  -6.917
  240   1HA   GLY  59          1HA       GLY  59   3.520 -10.258  -8.980
  241   2HA   GLY  59          2HA       GLY  59   2.286 -11.277  -9.711
  242    H    LYS  60           H        LYS  60   0.658  -9.203  -7.853
  243    HA   LYS  60           HA       LYS  60  -0.203  -7.725 -10.192
  244   1HB   LYS  60          1HB       LYS  60  -1.292  -8.272  -7.464
  245   2HB   LYS  60          2HB       LYS  60  -1.900  -6.901  -8.376
  246   1HG   LYS  60          1HG       LYS  60  -2.403  -8.509 -10.247
  247   2HG   LYS  60          2HG       LYS  60  -2.034  -9.805  -9.107
  248   1HD   LYS  60          1HD       LYS  60  -3.784  -9.046  -7.622
  249   2HD   LYS  60          2HD       LYS  60  -4.109  -7.664  -8.668
  250   1HE   LYS  60          1HE       LYS  60  -5.765  -9.406  -9.019
  251   2HE   LYS  60          2HE       LYS  60  -4.780  -9.185 -10.464
  252   1HZ   LYS  60          1HZ       LYS  60  -5.217 -11.539  -9.823
  253   2HZ   LYS  60          2HZ       LYS  60  -4.260 -11.297  -8.447
  254   3HZ   LYS  60          3HZ       LYS  60  -3.576 -11.153  -9.992
  255    H    ASN  61           H        ASN  61  -0.249  -5.487 -10.330
  256    HA   ASN  61           HA       ASN  61   1.714  -4.162  -8.613
  257   1HB   ASN  61          1HB       ASN  61   1.880  -3.978 -11.115
  258   2HB   ASN  61          2HB       ASN  61   0.368  -3.075 -11.098
  259   1HD2  ASN  61          1HD2      ASN  61   3.742  -3.036 -10.321
  260   2HD2  ASN  61          2HD2      ASN  61   3.860  -1.330 -10.028
  261    H    PHE  62           H        PHE  62   0.864  -3.428  -6.804
  262    HA   PHE  62           HA       PHE  62  -1.744  -2.770  -6.226
  263   1HB   PHE  62          1HB       PHE  62   0.054  -3.024  -4.554
  264   2HB   PHE  62          2HB       PHE  62   0.746  -1.493  -5.072
  265    HD1  PHE  62           HD1      PHE  62   0.048   0.507  -4.109
  266    HD2  PHE  62           HD2      PHE  62  -2.312  -2.998  -3.593
  267    HE1  PHE  62           HE1      PHE  62  -1.360   1.696  -2.477
  268    HE2  PHE  62           HE2      PHE  62  -3.721  -1.813  -1.964
  269    HZ   PHE  62           HZ       PHE  62  -3.243   0.521  -1.390
  270    H    PHE  63           H        PHE  63   0.691  -0.770  -7.778
  271    HA   PHE  63           HA       PHE  63  -0.887   1.647  -7.487
  272   1HB   PHE  63          1HB       PHE  63   1.710   1.194  -8.977
  273   2HB   PHE  63          2HB       PHE  63   0.989   2.755  -8.598
  274    HD1  PHE  63           HD1      PHE  63   2.905  -0.066  -7.325
  275    HD2  PHE  63           HD2      PHE  63   1.004   3.601  -6.304
  276    HE1  PHE  63           HE1      PHE  63   4.141  -0.020  -5.199
  277    HE2  PHE  63           HE2      PHE  63   2.236   3.653  -4.174
  278    HZ   PHE  63           HZ       PHE  63   3.824   1.835  -3.631
  279    H    LYS  64           H        LYS  64  -1.654  -0.770  -9.288
  280    HA   LYS  64           HA       LYS  64  -2.354   0.837 -11.622
  281   1HB   LYS  64          1HB       LYS  64  -0.131  -0.329 -11.986
  282   2HB   LYS  64          2HB       LYS  64  -1.063  -1.819 -12.026
  283   1HG   LYS  64          1HG       LYS  64  -2.351  -1.015 -13.896
  284   2HG   LYS  64          2HG       LYS  64  -1.521   0.542 -13.825
  285   1HD   LYS  64          1HD       LYS  64  -0.223  -2.113 -14.345
  286   2HD   LYS  64          2HD       LYS  64  -0.618  -0.911 -15.570
  287   1HE   LYS  64          1HE       LYS  64   1.270  -0.509 -13.255
  288   2HE   LYS  64          2HE       LYS  64   1.752  -0.827 -14.920
  289   1HZ   LYS  64          1HZ       LYS  64   0.343   1.576 -13.882
  290   2HZ   LYS  64          2HZ       LYS  64   0.547   1.247 -15.532
  291   3HZ   LYS  64          3HZ       LYS  64   1.902   1.499 -14.547
  292    H    ASP  65           H        ASP  65  -2.592  -2.352 -10.063
  293    HA   ASP  65           HA       ASP  65  -4.786  -3.176 -11.682
  294   1HB   ASP  65          1HB       ASP  65  -3.403  -4.892 -10.760
  295   2HB   ASP  65          2HB       ASP  65  -3.662  -4.304  -9.120
  296    H    VAL  66           H        VAL  66  -4.854  -2.923  -8.133
  297    HA   VAL  66           HA       VAL  66  -7.704  -2.266  -8.427
  298    HB   VAL  66           HB       VAL  66  -6.986  -4.284  -7.551
  299   1HG1  VAL  66          1HG1      VAL  66  -6.262  -4.323  -5.195
  300   2HG1  VAL  66          2HG1      VAL  66  -6.011  -2.579  -5.281
  301   3HG1  VAL  66          3HG1      VAL  66  -5.053  -3.661  -6.296
  302   1HG2  VAL  66          1HG2      VAL  66  -8.666  -2.500  -5.829
  303   2HG2  VAL  66          2HG2      VAL  66  -8.629  -4.260  -5.740
  304   3HG2  VAL  66          3HG2      VAL  66  -9.207  -3.462  -7.203
  305    H    ALA  67           H        ALA  67  -5.146  -0.575  -8.094
  306    HA   ALA  67           HA       ALA  67  -6.436   1.427  -6.475
  307   1HB   ALA  67          1HB       ALA  67  -4.626   1.719  -4.873
  308   2HB   ALA  67          2HB       ALA  67  -3.778   0.338  -5.570
  309   3HB   ALA  67          3HB       ALA  67  -5.325   0.104  -4.757
  310    HA   PRO  68           HA       PRO  68  -3.708   3.325  -9.690
  311   1HB   PRO  68          1HB       PRO  68  -6.100   4.424 -10.894
  312   2HB   PRO  68          2HB       PRO  68  -4.915   3.330 -11.606
  313   1HG   PRO  68          1HG       PRO  68  -7.488   2.608 -11.030
  314   2HG   PRO  68          2HG       PRO  68  -6.132   1.468 -11.092
  315   1HD   PRO  68          1HD       PRO  68  -7.439   2.732  -8.713
  316   2HD   PRO  68          2HD       PRO  68  -6.858   1.066  -8.930
  317    H    CYS  69           H        CYS  69  -5.368   4.177  -7.058
  318    HA   CYS  69           HA       CYS  69  -5.517   7.013  -7.436
  319   1HB   CYS  69          1HB       CYS  69  -5.297   5.462  -4.843
  320   2HB   CYS  69          2HB       CYS  69  -5.653   7.173  -4.968
  321    H    THR  70           H        THR  70  -2.758   5.028  -7.394
  322    HA   THR  70           HA       THR  70  -1.962   6.063  -4.770
  323    HB   THR  70           HB       THR  70  -0.549   4.175  -4.818
  324    HG1  THR  70           HG1      THR  70  -2.168   2.900  -6.631
  325   1HG2  THR  70          1HG2      THR  70  -2.399   2.683  -4.241
  326   2HG2  THR  70          2HG2      THR  70  -3.534   3.818  -4.972
  327   3HG2  THR  70          3HG2      THR  70  -2.609   4.289  -3.544
  328    H    ASP  71           H        ASP  71  -0.945   5.629  -8.096
  329    HA   ASP  71           HA       ASP  71   1.806   6.253  -7.497
  330   1HB   ASP  71          1HB       ASP  71   2.207   6.154  -9.894
  331   2HB   ASP  71          2HB       ASP  71   1.278   4.758  -9.369
  332    H    SER  72           H        SER  72   1.624   8.172  -6.416
  333    HA   SER  72           HA       SER  72   1.315  10.553  -8.071
  334   1HB   SER  72          1HB       SER  72  -0.193  10.137  -5.469
  335   2HB   SER  72          2HB       SER  72  -0.167  11.625  -6.414
  336    HG   SER  72           HG       SER  72  -1.887   9.715  -6.646
  337    HA   PRO  73           HA       PRO  73   4.844  12.108  -6.027
  338   1HB   PRO  73          1HB       PRO  73   3.272  14.502  -5.201
  339   2HB   PRO  73          2HB       PRO  73   4.813  14.406  -6.062
  340   1HG   PRO  73          1HG       PRO  73   2.582  14.985  -7.376
  341   2HG   PRO  73          2HG       PRO  73   3.796  13.909  -8.095
  342   1HD   PRO  73          1HD       PRO  73   1.174  13.242  -6.831
  343   2HD   PRO  73          2HD       PRO  73   1.971  12.503  -8.234
  344    H    GLU  74           H        GLU  74   1.880  12.517  -4.092
  345    HA   GLU  74           HA       GLU  74   3.511  12.521  -1.673
  346   1HB   GLU  74          1HB       GLU  74   1.308  13.072  -0.546
  347   2HB   GLU  74          2HB       GLU  74   1.976  14.284  -1.626
  348   1HG   GLU  74          1HG       GLU  74   0.436  13.499  -3.390
  349   2HG   GLU  74          2HG       GLU  74  -0.276  12.383  -2.224
  350    H    PHE  75           H        PHE  75   2.534  10.118  -3.458
  351    HA   PHE  75           HA       PHE  75   2.226   8.429  -1.074
  352   1HB   PHE  75          1HB       PHE  75   0.017   8.609  -2.257
  353   2HB   PHE  75          2HB       PHE  75   0.772   7.898  -3.680
  354    HD1  PHE  75           HD1      PHE  75   1.478   5.539  -3.657
  355    HD2  PHE  75           HD2      PHE  75  -0.568   7.280  -0.362
  356    HE1  PHE  75           HE1      PHE  75   0.976   3.295  -2.787
  357    HE2  PHE  75           HE2      PHE  75  -1.077   5.039   0.511
  358    HZ   PHE  75           HZ       PHE  75  -0.304   3.042  -0.701
  359    H    TYR  76           H        TYR  76   2.417   7.786  -4.555
  360    HA   TYR  76           HA       TYR  76   4.380   5.785  -4.337
  361   1HB   TYR  76          1HB       TYR  76   2.836   6.049  -6.260
  362   2HB   TYR  76          2HB       TYR  76   3.693   7.512  -6.728
  363    HD1  TYR  76           HD1      TYR  76   5.344   7.347  -8.334
  364    HD2  TYR  76           HD2      TYR  76   4.365   3.901  -6.039
  365    HE1  TYR  76           HE1      TYR  76   6.874   6.003  -9.710
  366    HE2  TYR  76           HE2      TYR  76   5.890   2.548  -7.412
  367    HH   TYR  76           HH       TYR  76   6.921   2.578  -9.596
  368    H    GLY  77           H        GLY  77   4.565   9.260  -4.902
  369   1HA   GLY  77          1HA       GLY  77   7.320   9.416  -5.476
  370   2HA   GLY  77          2HA       GLY  77   6.334  10.723  -4.835
  371    H    LYS  78           H        LYS  78   5.592   9.162  -2.444
  372    HA   LYS  78           HA       LYS  78   7.995   9.678  -0.899
  373   1HB   LYS  78          1HB       LYS  78   5.183   8.932  -0.080
  374   2HB   LYS  78          2HB       LYS  78   6.499   9.175   1.062
  375   1HG   LYS  78          1HG       LYS  78   6.735  11.474   0.344
  376   2HG   LYS  78          2HG       LYS  78   5.477  11.245  -0.870
  377   1HD   LYS  78          1HD       LYS  78   3.850  10.807   0.898
  378   2HD   LYS  78          2HD       LYS  78   5.114  11.008   2.113
  379   1HE   LYS  78          1HE       LYS  78   4.237  13.135   0.163
  380   2HE   LYS  78          2HE       LYS  78   3.692  13.015   1.836
  381   1HZ   LYS  78          1HZ       LYS  78   5.885  13.415   2.613
  382   2HZ   LYS  78          2HZ       LYS  78   5.549  14.608   1.452
  383   3HZ   LYS  78          3HZ       LYS  78   6.543  13.299   1.054
  384    H    PHE  79           H        PHE  79   6.110   7.000  -2.049
  385    HA   PHE  79           HA       PHE  79   7.398   4.898  -0.690
  386   1HB   PHE  79          1HB       PHE  79   5.418   4.490  -2.022
  387   2HB   PHE  79          2HB       PHE  79   6.225   5.072  -3.474
  388    HD1  PHE  79           HD1      PHE  79   6.393   2.406  -0.896
  389    HD2  PHE  79           HD2      PHE  79   7.308   3.591  -4.878
  390    HE1  PHE  79           HE1      PHE  79   7.111   0.111  -1.410
  391    HE2  PHE  79           HE2      PHE  79   8.022   1.301  -5.399
  392    HZ   PHE  79           HZ       PHE  79   7.942  -0.430  -3.657
  393    H    LYS  80           H        LYS  80   8.158   6.606  -3.670
  394    HA   LYS  80           HA       LYS  80  10.567   5.113  -4.166
  395   1HB   LYS  80          1HB       LYS  80   9.590   7.688  -5.418
  396   2HB   LYS  80          2HB       LYS  80  10.877   6.665  -6.040
  397   1HG   LYS  80          1HG       LYS  80   8.034   5.745  -5.702
  398   2HG   LYS  80          2HG       LYS  80   8.675   6.430  -7.195
  399   1HD   LYS  80          1HD       LYS  80   9.949   4.063  -5.843
  400   2HD   LYS  80          2HD       LYS  80   8.625   3.886  -7.002
  401   1HE   LYS  80          1HE       LYS  80   9.992   5.180  -8.644
  402   2HE   LYS  80          2HE       LYS  80  11.326   5.131  -7.495
  403   1HZ   LYS  80          1HZ       LYS  80  10.009   2.747  -8.695
  404   2HZ   LYS  80          2HZ       LYS  80  11.332   2.728  -7.636
  405   3HZ   LYS  80          3HZ       LYS  80  11.496   3.397  -9.181
  406    H    GLU  81           H        GLU  81   9.707   7.781  -2.269
  407    HA   GLU  81           HA       GLU  81  12.005   9.369  -2.280
  408   1HB   GLU  81          1HB       GLU  81   9.850   9.985  -1.231
  409   2HB   GLU  81          2HB       GLU  81  10.126   8.785   0.019
  410   1HG   GLU  81          1HG       GLU  81  12.049  10.017   0.815
  411   2HG   GLU  81          2HG       GLU  81  11.848  11.202  -0.475
  412    H    GLY  82           H        GLY  82  11.204   6.461  -0.455
  413   1HA   GLY  82          1HA       GLY  82  13.700   6.550   1.019
  414   2HA   GLY  82          2HA       GLY  82  12.465   5.302   1.127
  415    H    VAL  83           H        VAL  83  12.237   4.515  -1.478
  416    HA   VAL  83           HA       VAL  83  14.221   2.614  -1.773
  417    HB   VAL  83           HB       VAL  83  12.686   3.872  -3.855
  418   1HG1  VAL  83          1HG1      VAL  83  13.928   1.133  -3.597
  419   2HG1  VAL  83          2HG1      VAL  83  14.526   2.433  -4.629
  420   3HG1  VAL  83          3HG1      VAL  83  12.948   1.712  -4.944
  421   1HG2  VAL  83          1HG2      VAL  83  11.273   3.206  -2.001
  422   2HG2  VAL  83          2HG2      VAL  83  12.022   1.610  -1.991
  423   3HG2  VAL  83          3HG2      VAL  83  11.062   2.124  -3.380
  424    H    ALA  84           H        ALA  84  13.893   5.695  -3.558
  425    HA   ALA  84           HA       ALA  84  16.248   5.261  -5.096
  426   1HB   ALA  84          1HB       ALA  84  14.370   6.655  -5.864
  427   2HB   ALA  84          2HB       ALA  84  15.916   7.500  -5.930
  428   3HB   ALA  84          3HB       ALA  84  14.777   7.849  -4.630
  429    H    SER  85           H        SER  85  15.849   6.240  -1.890
  430    HA   SER  85           HA       SER  85  18.358   7.741  -1.884
  431   1HB   SER  85          1HB       SER  85  16.355   7.290   0.342
  432   2HB   SER  85          2HB       SER  85  17.785   8.320   0.439
  433    HG   SER  85           HG       SER  85  15.334   8.788  -0.734
  434    H    GLY  86           H        GLY  86  16.978   5.417   0.440
  435   1HA   GLY  86          1HA       GLY  86  19.119   3.546   0.112
  436   2HA   GLY  86          2HA       GLY  86  19.327   4.535   1.553
  437    H    ASN  87           H        ASN  87  17.354   4.673   2.968
  438    HA   ASN  87           HA       ASN  87  16.041   2.044   3.098
  439   1HB   ASN  87          1HB       ASN  87  15.736   2.464   5.500
  440   2HB   ASN  87          2HB       ASN  87  17.437   2.539   5.057
  441   1HD2  ASN  87          1HD2      ASN  87  18.493   4.533   5.057
  442   2HD2  ASN  87          2HD2      ASN  87  17.848   5.903   5.902
  443    H    LEU  88           H        LEU  88  13.775   2.062   3.853
  444    HA   LEU  88           HA       LEU  88  12.406   4.544   3.131
  445   1HB   LEU  88          1HB       LEU  88  12.298   3.189   1.168
  446   2HB   LEU  88          2HB       LEU  88  11.845   1.775   2.097
  447    HG   LEU  88           HG       LEU  88   9.670   2.799   2.606
  448   1HD1  LEU  88          1HD1      LEU  88  10.293   5.139   2.537
  449   2HD1  LEU  88          2HD1      LEU  88   8.965   4.824   1.420
  450   3HD1  LEU  88          3HD1      LEU  88  10.606   5.027   0.806
  451   1HD2  LEU  88          1HD2      LEU  88  10.357   2.709  -0.329
  452   2HD2  LEU  88          2HD2      LEU  88   8.729   2.639   0.349
  453   3HD2  LEU  88          3HD2      LEU  88   9.879   1.342   0.678
  454    H    ASN  89           H        ASN  89  11.649   5.098   5.088
  455    HA   ASN  89           HA       ASN  89   9.575   3.366   6.213
  456   1HB   ASN  89          1HB       ASN  89  11.904   4.484   7.787
  457   2HB   ASN  89          2HB       ASN  89  10.378   4.055   8.539
  458   1HD2  ASN  89          1HD2      ASN  89  13.018   2.980   9.001
  459   2HD2  ASN  89          2HD2      ASN  89  12.911   1.279   8.681
  460    H    THR  90           H        THR  90   7.964   4.691   5.641
  461    HA   THR  90           HA       THR  90   8.079   7.430   6.678
  462    HB   THR  90           HB       THR  90   6.716   7.964   4.783
  463    HG1  THR  90           HG1      THR  90   8.103   5.941   3.450
  464   1HG2  THR  90          1HG2      THR  90   9.633   7.293   4.453
  465   2HG2  THR  90          2HG2      THR  90   8.987   8.766   5.177
  466   3HG2  THR  90          3HG2      THR  90   8.704   8.428   3.470
  467    H    MET  91           H        MET  91   6.098   8.381   7.168
  468    HA   MET  91           HA       MET  91   3.695   6.754   6.828
  469   1HB   MET  91          1HB       MET  91   2.920   7.371   9.124
  470   2HB   MET  91          2HB       MET  91   4.277   6.256   9.092
  471   1HG   MET  91          1HG       MET  91   5.798   8.101   9.595
  472   2HG   MET  91          2HG       MET  91   4.431   9.214   9.630
  473   1HE   MET  91          1HE       MET  91   6.552   8.858  12.036
  474   2HE   MET  91          2HE       MET  91   5.451   8.923  13.413
  475   3HE   MET  91          3HE       MET  91   5.218  10.012  12.046
  476    H    PHE  92           H        PHE  92   2.527   7.953   5.520
  477    HA   PHE  92           HA       PHE  92   2.324  10.844   6.034
  478   1HB   PHE  92          1HB       PHE  92   2.225  11.169   3.548
  479   2HB   PHE  92          2HB       PHE  92   3.787  10.616   4.139
  480    HD1  PHE  92           HD1      PHE  92   0.661   9.488   2.507
  481    HD2  PHE  92           HD2      PHE  92   4.751   8.640   3.321
  482    HE1  PHE  92           HE1      PHE  92   0.589   7.625   0.904
  483    HE2  PHE  92           HE2      PHE  92   4.690   6.772   1.725
  484    HZ   PHE  92           HZ       PHE  92   2.615   6.243   0.534
  485    H    GLU  93           H        GLU  93   0.395  11.815   4.873
  486    HA   GLU  93           HA       GLU  93  -1.886   9.986   5.203
  487   1HB   GLU  93          1HB       GLU  93  -1.898  13.006   5.102
  488   2HB   GLU  93          2HB       GLU  93  -3.244  11.964   5.532
  489   1HG   GLU  93          1HG       GLU  93  -2.045  11.236   7.531
  490   2HG   GLU  93          2HG       GLU  93  -0.695  12.283   7.096
  491    H    TYR  94           H        TYR  94  -2.903   9.310   3.440
  492    HA   TYR  94           HA       TYR  94  -3.049  11.061   1.105
  493   1HB   TYR  94          1HB       TYR  94  -1.072   9.506   0.836
  494   2HB   TYR  94          2HB       TYR  94  -2.213   8.165   0.845
  495    HD1  TYR  94           HD1      TYR  94  -2.934   7.370  -1.189
  496    HD2  TYR  94           HD2      TYR  94  -1.705  11.427  -0.913
  497    HE1  TYR  94           HE1      TYR  94  -3.272   7.630  -3.610
  498    HE2  TYR  94           HE2      TYR  94  -2.035  11.698  -3.337
  499    HH   TYR  94           HH       TYR  94  -2.082  10.252  -5.356
  500    H    THR  95           H        THR  95  -4.761  10.337  -0.428
  501    HA   THR  95           HA       THR  95  -6.891   9.060   1.124
  502    HB   THR  95           HB       THR  95  -8.309   9.989  -0.457
  503    HG1  THR  95           HG1      THR  95  -7.370  10.731  -2.203
  504   1HG2  THR  95          1HG2      THR  95  -7.901  11.017   1.702
  505   2HG2  THR  95          2HG2      THR  95  -8.087  12.246   0.449
  506   3HG2  THR  95          3HG2      THR  95  -6.481  11.840   1.055
  507    H    PHE  96           H        PHE  96  -8.342   7.644   0.149
  508    HA   PHE  96           HA       PHE  96  -7.507   6.504  -2.433
  509   1HB   PHE  96          1HB       PHE  96  -8.702   5.085  -0.040
  510   2HB   PHE  96          2HB       PHE  96  -8.583   4.363  -1.641
  511    HD1  PHE  96           HD1      PHE  96  -6.055   4.778  -2.656
  512    HD2  PHE  96           HD2      PHE  96  -7.124   4.330   1.438
  513    HE1  PHE  96           HE1      PHE  96  -3.781   3.990  -2.154
  514    HE2  PHE  96           HE2      PHE  96  -4.848   3.546   1.947
  515    HZ   PHE  96           HZ       PHE  96  -3.174   3.373   0.151
  516    H    ASP  97           H        ASP  97  -8.944   7.018  -3.946
  517    HA   ASP  97           HA       ASP  97 -11.622   7.805  -3.001
  518   1HB   ASP  97          1HB       ASP  97 -10.120   9.192  -5.214
  519   2HB   ASP  97          2HB       ASP  97 -11.556   9.743  -4.349
  520    H    TYR  98           H        TYR  98 -10.344   5.435  -4.620
  521    HA   TYR  98           HA       TYR  98 -12.179   5.594  -6.922
  522   1HB   TYR  98          1HB       TYR  98  -9.807   5.370  -7.523
  523   2HB   TYR  98          2HB       TYR  98  -9.702   3.892  -6.577
  524    HD1  TYR  98           HD1      TYR  98 -10.165   1.824  -7.564
  525    HD2  TYR  98           HD2      TYR  98 -11.406   5.392  -9.523
  526    HE1  TYR  98           HE1      TYR  98 -10.777   0.515  -9.550
  527    HE2  TYR  98           HE2      TYR  98 -12.023   4.089 -11.516
  528    HH   TYR  98           HH       TYR  98 -12.271   0.702 -11.486
  529    H    GLN  99           H        GLN  99 -10.891   3.268  -4.531
  530    HA   GLN  99           HA       GLN  99 -13.160   1.512  -5.023
  531   1HB   GLN  99          1HB       GLN  99 -10.642   1.262  -3.410
  532   2HB   GLN  99          2HB       GLN  99 -11.969   0.126  -3.200
  533   1HG   GLN  99          1HG       GLN  99 -10.565   0.684  -5.802
  534   2HG   GLN  99          2HG       GLN  99 -10.244  -0.691  -4.746
  535   1HE2  GLN  99          1HE2      GLN  99 -12.535   0.785  -6.911
  536   2HE2  GLN  99          2HE2      GLN  99 -13.523  -0.615  -7.143
  537    H    MET 100           H        MET 100 -13.070   4.226  -3.571
  538    HA   MET 100           HA       MET 100 -15.192   3.715  -1.784
  539   1HB   MET 100          1HB       MET 100 -14.023   4.583   0.287
  540   2HB   MET 100          2HB       MET 100 -13.605   2.940  -0.189
  541   1HG   MET 100          1HG       MET 100 -11.560   3.833  -1.254
  542   2HG   MET 100          2HG       MET 100 -11.975   5.430  -0.635
  543   1HE   MET 100          1HE       MET 100 -10.834   1.800   0.212
  544   2HE   MET 100          2HE       MET 100 -12.375   1.878   1.064
  545   3HE   MET 100          3HE       MET 100 -10.864   1.790   1.974
  546    H    THR 101           H        THR 101 -16.174   5.649  -1.059
  547    HA   THR 101           HA       THR 101 -15.741   7.972  -2.547
  548    HB   THR 101           HB       THR 101 -17.662   7.513  -1.436
  549    HG1  THR 101           HG1      THR 101 -17.971   9.621  -0.736
  550   1HG2  THR 101          1HG2      THR 101 -16.077   7.946   1.085
  551   2HG2  THR 101          2HG2      THR 101 -16.850   6.447   0.569
  552   3HG2  THR 101          3HG2      THR 101 -17.836   7.847   0.987
  553    HA   PRO 102           HA       PRO 102 -11.985   9.911  -1.414
  554   1HB   PRO 102          1HB       PRO 102 -13.797  12.055  -0.357
  555   2HB   PRO 102          2HB       PRO 102 -12.300  12.216  -1.285
  556   1HG   PRO 102          1HG       PRO 102 -14.728  12.360  -2.448
  557   2HG   PRO 102          2HG       PRO 102 -13.319  11.679  -3.276
  558   1HD   PRO 102          1HD       PRO 102 -15.726  10.330  -2.322
  559   2HD   PRO 102          2HD       PRO 102 -14.457   9.724  -3.402
  560    H    THR 103           H        THR 103 -11.624   8.284   0.277
  561    HA   THR 103           HA       THR 103 -11.901   9.479   2.967
  562    HB   THR 103           HB       THR 103 -11.273   6.778   2.202
  563    HG1  THR 103           HG1      THR 103 -13.419   7.537   1.646
  564   1HG2  THR 103          1HG2      THR 103 -10.401   7.395   4.399
  565   2HG2  THR 103          2HG2      THR 103 -11.788   6.315   4.542
  566   3HG2  THR 103          3HG2      THR 103 -11.980   8.041   4.844
  567    H    LYS 104           H        LYS 104 -10.113   9.787   4.264
  568    HA   LYS 104           HA       LYS 104  -7.516   9.563   2.907
  569   1HB   LYS 104          1HB       LYS 104  -8.164  11.826   3.611
  570   2HB   LYS 104          2HB       LYS 104  -8.353  11.268   5.267
  571   1HG   LYS 104          1HG       LYS 104  -5.916  10.654   5.231
  572   2HG   LYS 104          2HG       LYS 104  -5.805  11.491   3.681
  573   1HD   LYS 104          1HD       LYS 104  -6.786  12.754   6.241
  574   2HD   LYS 104          2HD       LYS 104  -5.132  12.878   5.637
  575   1HE   LYS 104          1HE       LYS 104  -7.505  13.716   3.995
  576   2HE   LYS 104          2HE       LYS 104  -6.722  14.810   5.133
  577   1HZ   LYS 104          1HZ       LYS 104  -5.872  15.094   2.889
  578   2HZ   LYS 104          2HZ       LYS 104  -5.381  13.475   2.837
  579   3HZ   LYS 104          3HZ       LYS 104  -4.653  14.549   3.928
  580    H    VAL 105           H        VAL 105  -5.921   8.334   3.719
  581    HA   VAL 105           HA       VAL 105  -6.237   7.263   6.442
  582    HB   VAL 105           HB       VAL 105  -5.140   5.359   5.755
  583   1HG1  VAL 105          1HG1      VAL 105  -7.752   6.024   4.406
  584   2HG1  VAL 105          2HG1      VAL 105  -7.541   5.403   6.044
  585   3HG1  VAL 105          3HG1      VAL 105  -7.124   4.395   4.658
  586   1HG2  VAL 105          1HG2      VAL 105  -5.113   4.799   3.376
  587   2HG2  VAL 105          2HG2      VAL 105  -4.032   6.137   3.764
  588   3HG2  VAL 105          3HG2      VAL 105  -5.585   6.454   2.992
  589    H    LYS 106           H        LYS 106  -4.149   6.421   7.315
  590    HA   LYS 106           HA       LYS 106  -1.921   8.120   6.425
  591   1HB   LYS 106          1HB       LYS 106  -2.885   8.473   8.761
  592   2HB   LYS 106          2HB       LYS 106  -2.264   6.880   9.161
  593   1HG   LYS 106          1HG       LYS 106  -0.037   7.567   8.946
  594   2HG   LYS 106          2HG       LYS 106  -0.488   9.039   8.082
  595   1HD   LYS 106          1HD       LYS 106  -1.096   8.431  10.976
  596   2HD   LYS 106          2HD       LYS 106   0.163   9.522  10.393
  597   1HE   LYS 106          1HE       LYS 106  -1.627  10.861   9.272
  598   2HE   LYS 106          2HE       LYS 106  -2.820   9.835  10.063
  599   1HZ   LYS 106          1HZ       LYS 106  -2.459  11.888  11.282
  600   2HZ   LYS 106          2HZ       LYS 106  -0.811  11.532  11.444
  601   3HZ   LYS 106          3HZ       LYS 106  -1.971  10.555  12.208
  602    H    VAL 107           H        VAL 107  -0.284   7.059   5.500
  603    HA   VAL 107           HA       VAL 107  -0.441   4.131   5.570
  604    HB   VAL 107           HB       VAL 107   0.689   5.967   3.670
  605   1HG1  VAL 107          1HG1      VAL 107   0.331   2.973   3.601
  606   2HG1  VAL 107          2HG1      VAL 107   1.873   3.813   3.761
  607   3HG1  VAL 107          3HG1      VAL 107   0.929   3.978   2.281
  608   1HG2  VAL 107          1HG2      VAL 107  -1.735   6.069   3.786
  609   2HG2  VAL 107          2HG2      VAL 107  -1.818   4.314   3.621
  610   3HG2  VAL 107          3HG2      VAL 107  -1.189   5.295   2.297
  611    H    HIS 108           H        HIS 108   1.112   3.115   6.590
  612    HA   HIS 108           HA       HIS 108   3.649   4.524   7.051
  613   1HB   HIS 108          1HB       HIS 108   2.318   3.698   9.041
  614   2HB   HIS 108          2HB       HIS 108   2.618   2.058   8.479
  615    HD1  HIS 108           HD1      HIS 108   3.998   1.394  10.524
  616    HD2  HIS 108           HD2      HIS 108   5.500   4.717   8.512
  617    HE1  HIS 108           HE1      HIS 108   6.274   1.819  11.511
  618    HE2  HIS 108           HE2      HIS 108   7.205   3.780  10.222
  619    H    MET 109           H        MET 109   5.073   4.048   5.572
  620    HA   MET 109           HA       MET 109   5.126   1.362   4.361
  621   1HB   MET 109          1HB       MET 109   4.964   3.281   2.830
  622   2HB   MET 109          2HB       MET 109   6.430   3.964   3.512
  623   1HG   MET 109          1HG       MET 109   6.978   2.964   1.430
  624   2HG   MET 109          2HG       MET 109   7.659   1.963   2.715
  625   1HE   MET 109          1HE       MET 109   3.912   0.893   0.250
  626   2HE   MET 109          2HE       MET 109   4.937   2.292  -0.059
  627   3HE   MET 109          3HE       MET 109   3.949   2.231   1.400
  628    H    LYS 110           H        LYS 110   6.881   0.007   4.655
  629    HA   LYS 110           HA       LYS 110   9.172   1.094   6.148
  630   1HB   LYS 110          1HB       LYS 110   7.462  -1.251   6.991
  631   2HB   LYS 110          2HB       LYS 110   9.095  -1.003   7.589
  632   1HG   LYS 110          1HG       LYS 110   8.372   1.196   8.483
  633   2HG   LYS 110          2HG       LYS 110   6.722   0.803   7.989
  634   1HD   LYS 110          1HD       LYS 110   7.085   0.286  10.350
  635   2HD   LYS 110          2HD       LYS 110   6.759  -1.177   9.419
  636   1HE   LYS 110          1HE       LYS 110   9.190  -1.599   9.302
  637   2HE   LYS 110          2HE       LYS 110   9.464  -0.183  10.317
  638   1HZ   LYS 110          1HZ       LYS 110   8.173  -1.251  12.069
  639   2HZ   LYS 110          2HZ       LYS 110   9.502  -2.200  11.619
  640   3HZ   LYS 110          3HZ       LYS 110   7.947  -2.619  11.090
  641    H    LYS 111           H        LYS 111  11.057   0.269   5.466
  642    HA   LYS 111           HA       LYS 111  10.929  -1.683   3.306
  643   1HB   LYS 111          1HB       LYS 111  12.267   0.412   3.057
  644   2HB   LYS 111          2HB       LYS 111  13.313  -0.134   4.363
  645   1HG   LYS 111          1HG       LYS 111  13.805  -2.170   2.980
  646   2HG   LYS 111          2HG       LYS 111  12.941  -1.378   1.663
  647   1HD   LYS 111          1HD       LYS 111  14.522   0.411   1.604
  648   2HD   LYS 111          2HD       LYS 111  15.313  -0.172   3.072
  649   1HE   LYS 111          1HE       LYS 111  15.939  -2.237   1.882
  650   2HE   LYS 111          2HE       LYS 111  15.199  -1.599   0.415
  651   1HZ   LYS 111          1HZ       LYS 111  17.601  -1.283   0.446
  652   2HZ   LYS 111          2HZ       LYS 111  17.479  -0.361   1.863
  653   3HZ   LYS 111          3HZ       LYS 111  16.785   0.205   0.419
  654    H    ALA 112           H        ALA 112  11.281  -3.729   3.604
  655    HA   ALA 112           HA       ALA 112  12.984  -4.599   5.844
  656   1HB   ALA 112          1HB       ALA 112  10.647  -5.338   6.084
  657   2HB   ALA 112          2HB       ALA 112  11.737  -6.702   5.832
  658   3HB   ALA 112          3HB       ALA 112  10.739  -6.115   4.502
  659    H    LEU 113           H        LEU 113  13.716  -7.060   5.125
  660    HA   LEU 113           HA       LEU 113  15.156  -6.658   2.643
  661   1HB   LEU 113          1HB       LEU 113  16.263  -7.654   4.620
  662   2HB   LEU 113          2HB       LEU 113  15.176  -9.023   4.529
  663    HG   LEU 113           HG       LEU 113  16.125  -9.639   2.353
  664   1HD1  LEU 113          1HD1      LEU 113  18.113  -8.494   1.510
  665   2HD1  LEU 113          2HD1      LEU 113  17.982  -7.305   2.804
  666   3HD1  LEU 113          3HD1      LEU 113  16.728  -7.405   1.569
  667   1HD2  LEU 113          1HD2      LEU 113  18.182  -9.198   4.515
  668   2HD2  LEU 113          2HD2      LEU 113  18.343 -10.313   3.158
  669   3HD2  LEU 113          3HD2      LEU 113  17.096 -10.582   4.376
  670    H    SER 114           H        SER 114  14.080  -9.889   3.346
  671    HA   SER 114           HA       SER 114  12.519 -11.272   2.446
  672   1HB   SER 114          1HB       SER 114  10.838  -8.775   2.231
  673   2HB   SER 114          2HB       SER 114  10.282 -10.430   2.487
  674    HG   SER 114           HG       SER 114  11.177 -10.399   4.537
  675    H    GLY 115           H        GLY 115  14.357 -10.413   0.513
  676   1HA   GLY 115          1HA       GLY 115  14.621 -10.516  -1.771
  677   2HA   GLY 115          2HA       GLY 115  12.924 -10.960  -1.883
  678    H    ASP 116           H        ASP 116  14.217  -8.028  -0.465
  679    HA   ASP 116           HA       ASP 116  14.060  -5.836  -0.965
  680   1HB   ASP 116          1HB       ASP 116  13.867  -6.913  -3.774
  681   2HB   ASP 116          2HB       ASP 116  13.855  -5.189  -3.416
  682    H    SER 117           H        SER 117  11.957  -6.376   0.253
  683    HA   SER 117           HA       SER 117   9.852  -5.063  -1.230
  684   1HB   SER 117          1HB       SER 117   8.168  -6.600  -0.117
  685   2HB   SER 117          2HB       SER 117   9.135  -7.330  -1.400
  686    HG   SER 117           HG       SER 117  10.324  -8.406   0.106
  687    H    TYR 118           H        TYR 118   8.083  -4.281   0.284
  688    HA   TYR 118           HA       TYR 118   9.299  -3.325   2.778
  689   1HB   TYR 118          1HB       TYR 118   7.366  -1.711   1.114
  690   2HB   TYR 118          2HB       TYR 118   8.519  -1.151   2.324
  691    HD1  TYR 118           HD1      TYR 118   8.014  -1.976  -1.167
  692    HD2  TYR 118           HD2      TYR 118  10.919  -1.051   1.788
  693    HE1  TYR 118           HE1      TYR 118   9.629  -1.431  -2.941
  694    HE2  TYR 118           HE2      TYR 118  12.544  -0.503   0.027
  695    HH   TYR 118           HH       TYR 118  11.685   0.003  -3.174
  696    H    TRP 119           H        TRP 119   7.739  -2.911   4.422
  697    HA   TRP 119           HA       TRP 119   5.226  -4.378   4.069
  698   1HB   TRP 119          1HB       TRP 119   6.928  -3.744   6.464
  699   2HB   TRP 119          2HB       TRP 119   5.217  -4.111   6.668
  700    HD1  TRP 119           HD1      TRP 119   8.548  -5.756   5.831
  701    HE1  TRP 119           HE1      TRP 119   8.234  -8.317   5.822
  702    HE3  TRP 119           HE3      TRP 119   3.451  -5.942   6.213
  703    HZ2  TRP 119           HZ2      TRP 119   6.095 -10.162   5.965
  704    HZ3  TRP 119           HZ3      TRP 119   2.350  -8.141   6.271
  705    HH2  TRP 119           HH2      TRP 119   3.647 -10.205   6.150
  706    H    VAL 120           H        VAL 120   3.673  -3.050   3.422
  707    HA   VAL 120           HA       VAL 120   3.659  -0.345   4.555
  708    HB   VAL 120           HB       VAL 120   3.623  -0.602   2.291
  709   1HG1  VAL 120          1HG1      VAL 120   0.953  -1.926   2.731
  710   2HG1  VAL 120          2HG1      VAL 120   2.397  -2.680   2.056
  711   3HG1  VAL 120          3HG1      VAL 120   1.586  -1.383   1.177
  712   1HG2  VAL 120          1HG2      VAL 120   1.772   0.925   1.904
  713   2HG2  VAL 120          2HG2      VAL 120   2.685   1.357   3.351
  714   3HG2  VAL 120          3HG2      VAL 120   1.126   0.547   3.501
  715    H    PHE 121           H        PHE 121   2.120   0.406   5.831
  716    HA   PHE 121           HA       PHE 121  -0.023  -1.455   6.612
  717   1HB   PHE 121          1HB       PHE 121   1.458   0.494   8.395
  718   2HB   PHE 121          2HB       PHE 121   0.181  -0.608   8.899
  719    HD1  PHE 121           HD1      PHE 121   3.700  -0.230   8.167
  720    HD2  PHE 121           HD2      PHE 121   0.604  -3.045   8.928
  721    HE1  PHE 121           HE1      PHE 121   5.392  -1.950   8.650
  722    HE2  PHE 121           HE2      PHE 121   2.289  -4.772   9.415
  723    HZ   PHE 121           HZ       PHE 121   4.686  -4.225   9.275
  724    H    VAL 122           H        VAL 122  -2.024  -0.676   6.610
  725    HA   VAL 122           HA       VAL 122  -2.367   2.160   5.930
  726    HB   VAL 122           HB       VAL 122  -4.241  -0.021   5.841
  727   1HG1  VAL 122          1HG1      VAL 122  -5.438   1.544   4.362
  728   2HG1  VAL 122          2HG1      VAL 122  -4.236   2.782   4.726
  729   3HG1  VAL 122          3HG1      VAL 122  -5.280   2.163   6.007
  730   1HG2  VAL 122          1HG2      VAL 122  -2.367  -0.469   4.373
  731   2HG2  VAL 122          2HG2      VAL 122  -2.494   1.153   3.692
  732   3HG2  VAL 122          3HG2      VAL 122  -3.795  -0.012   3.445
  733    H    LYS 123           H        LYS 123  -2.554   3.295   7.743
  734    HA   LYS 123           HA       LYS 123  -4.360   2.334   9.856
  735   1HB   LYS 123          1HB       LYS 123  -2.263   4.522   9.857
  736   2HB   LYS 123          2HB       LYS 123  -3.345   4.201  11.204
  737   1HG   LYS 123          1HG       LYS 123  -1.350   2.241  10.081
  738   2HG   LYS 123          2HG       LYS 123  -1.110   3.228  11.525
  739   1HD   LYS 123          1HD       LYS 123  -3.051   2.152  12.570
  740   2HD   LYS 123          2HD       LYS 123  -3.277   1.163  11.128
  741   1HE   LYS 123          1HE       LYS 123  -2.146  -0.123  12.828
  742   2HE   LYS 123          2HE       LYS 123  -1.048   0.180  11.484
  743   1HZ   LYS 123          1HZ       LYS 123  -0.150   0.476  13.821
  744   2HZ   LYS 123          2HZ       LYS 123  -1.062   1.906  13.891
  745   3HZ   LYS 123          3HZ       LYS 123   0.154   1.732  12.726
  746    H    ARG 124           H        ARG 124  -6.376   3.038   9.642
  747    HA   ARG 124           HA       ARG 124  -6.955   5.155   7.785
  748   1HB   ARG 124          1HB       ARG 124  -9.276   4.590   8.112
  749   2HB   ARG 124          2HB       ARG 124  -8.348   3.108   7.937
  750   1HG   ARG 124          1HG       ARG 124  -8.778   2.426  10.050
  751   2HG   ARG 124          2HG       ARG 124  -8.760   4.070  10.697
  752   1HD   ARG 124          1HD       ARG 124 -10.980   2.782   9.111
  753   2HD   ARG 124          2HD       ARG 124 -11.001   3.169  10.833
  754    HE   ARG 124           HE       ARG 124 -10.781   5.555  10.120
  755   1HH1  ARG 124          1HH1      ARG 124 -12.238   3.166   8.025
  756   2HH1  ARG 124          2HH1      ARG 124 -13.109   4.328   7.075
  757   1HH2  ARG 124          1HH2      ARG 124 -11.890   7.102   8.877
  758   2HH2  ARG 124          2HH2      ARG 124 -12.930   6.577   7.580
  759    H    VAL 125           H        VAL 125  -8.260   7.003   8.245
  760    HA   VAL 125           HA       VAL 125  -7.850   8.094  10.918
  761    HB   VAL 125           HB       VAL 125  -9.102   9.247   8.598
  762   1HG1  VAL 125          1HG1      VAL 125  -8.601  11.332   9.788
  763   2HG1  VAL 125          2HG1      VAL 125  -7.987  10.402  11.155
  764   3HG1  VAL 125          3HG1      VAL 125  -9.692  10.304  10.717
  765   1HG2  VAL 125          1HG2      VAL 125  -6.827   8.584   8.084
  766   2HG2  VAL 125          2HG2      VAL 125  -6.252   9.378   9.551
  767   3HG2  VAL 125          3HG2      VAL 125  -6.953  10.336   8.248
  768    H2   HC4 169           H2       HC4 169  -7.874   3.845  -3.326
  769    H3   HC4 169           H3       HC4 169  -7.720   1.553  -5.212
  770    H2'  HC4 169           H2'      HC4 169  -7.793  -0.680  -4.038
  771    H3'  HC4 169           H3'      HC4 169  -8.283  -2.043  -2.051
  772    H5'  HC4 169           H5'      HC4 169  -8.548   1.505   0.292
  773    H6'  HC4 169           H6'      HC4 169  -8.200   2.859  -1.727
  Start of MODEL   11
    1    H    LEU  26           H        LEU  26 -10.892  -8.779  11.883
    2    HA   LEU  26           HA       LEU  26  -9.010  -8.244  13.320
    3   1HB   LEU  26          1HB       LEU  26  -9.153  -7.931  10.460
    4   2HB   LEU  26          2HB       LEU  26  -7.907  -6.896  11.109
    5    HG   LEU  26           HG       LEU  26  -7.013  -8.991  10.409
    6   1HD1  LEU  26          1HD1      LEU  26  -5.911  -7.920  12.259
    7   2HD1  LEU  26          2HD1      LEU  26  -5.884  -9.665  12.503
    8   3HD1  LEU  26          3HD1      LEU  26  -7.028  -8.667  13.400
    9   1HD2  LEU  26          1HD2      LEU  26  -8.845 -10.254  12.434
   10   2HD2  LEU  26          2HD2      LEU  26  -7.600 -11.091  11.506
   11   3HD2  LEU  26          3HD2      LEU  26  -8.988 -10.383  10.681
   12    H    ALA  27           H        ALA  27  -7.155  -6.317  12.941
   13    HA   ALA  27           HA       ALA  27  -8.451  -4.061  14.308
   14   1HB   ALA  27          1HB       ALA  27  -6.269  -3.609  15.295
   15   2HB   ALA  27          2HB       ALA  27  -5.561  -4.925  14.359
   16   3HB   ALA  27          3HB       ALA  27  -6.763  -5.274  15.601
   17    H    PHE  28           H        PHE  28  -5.443  -4.396  12.431
   18    HA   PHE  28           HA       PHE  28  -6.299  -2.126  10.777
   19   1HB   PHE  28          1HB       PHE  28  -4.058  -1.157  10.877
   20   2HB   PHE  28          2HB       PHE  28  -4.720  -1.306  12.499
   21    HD1  PHE  28           HD1      PHE  28  -2.059  -2.236  10.264
   22    HD2  PHE  28           HD2      PHE  28  -3.903  -3.145  13.992
   23    HE1  PHE  28           HE1      PHE  28  -0.041  -3.461  10.960
   24    HE2  PHE  28           HE2      PHE  28  -1.888  -4.367  14.693
   25    HZ   PHE  28           HZ       PHE  28   0.047  -4.527  13.178
   26    H    GLY  29           H        GLY  29  -4.931  -1.974   8.736
   27   1HA   GLY  29          1HA       GLY  29  -4.546  -4.729   7.778
   28   2HA   GLY  29          2HA       GLY  29  -4.957  -3.351   6.765
   29    H    ALA  30           H        ALA  30  -2.593  -5.424   7.516
   30    HA   ALA  30           HA       ALA  30  -0.477  -3.533   6.731
   31   1HB   ALA  30          1HB       ALA  30  -0.156  -4.350   9.029
   32   2HB   ALA  30          2HB       ALA  30   1.119  -4.913   7.947
   33   3HB   ALA  30          3HB       ALA  30  -0.175  -6.011   8.431
   34    H    ILE  31           H        ILE  31   0.428  -3.988   4.807
   35    HA   ILE  31           HA       ILE  31   0.257  -6.746   3.837
   36    HB   ILE  31           HB       ILE  31   0.080  -5.723   1.675
   37   1HG1  ILE  31          1HG1      ILE  31  -1.044  -3.518   3.393
   38   2HG1  ILE  31          2HG1      ILE  31   0.372  -3.396   2.354
   39   1HG2  ILE  31          1HG2      ILE  31  -1.551  -7.168   2.794
   40   2HG2  ILE  31          2HG2      ILE  31  -2.350  -5.874   1.906
   41   3HG2  ILE  31          3HG2      ILE  31  -2.193  -5.772   3.660
   42   1HD1  ILE  31          1HD1      ILE  31  -1.585  -2.381   1.325
   43   2HD1  ILE  31          2HD1      ILE  31  -2.447  -3.916   1.434
   44   3HD1  ILE  31          3HD1      ILE  31  -1.030  -3.772   0.394
   45    H    GLN  32           H        GLN  32   1.663  -7.123   1.914
   46    HA   GLN  32           HA       GLN  32   4.201  -5.679   2.303
   47   1HB   GLN  32          1HB       GLN  32   4.205  -8.041   3.084
   48   2HB   GLN  32          2HB       GLN  32   3.811  -8.556   1.450
   49   1HG   GLN  32          1HG       GLN  32   5.925  -7.551   0.664
   50   2HG   GLN  32          2HG       GLN  32   6.325  -7.156   2.334
   51   1HE2  GLN  32          1HE2      GLN  32   7.749  -8.866   0.463
   52   2HE2  GLN  32          2HE2      GLN  32   7.836 -10.422   1.212
   53    H    LEU  33           H        LEU  33   4.812  -4.509   0.621
   54    HA   LEU  33           HA       LEU  33   4.329  -5.580  -2.052
   55   1HB   LEU  33          1HB       LEU  33   3.734  -3.521  -3.010
   56   2HB   LEU  33          2HB       LEU  33   2.747  -3.675  -1.585
   57    HG   LEU  33           HG       LEU  33   5.202  -1.932  -1.844
   58   1HD1  LEU  33          1HD1      LEU  33   3.621  -0.078  -1.774
   59   2HD1  LEU  33          2HD1      LEU  33   2.277  -1.218  -1.726
   60   3HD1  LEU  33          3HD1      LEU  33   3.308  -1.133  -3.152
   61   1HD2  LEU  33          1HD2      LEU  33   5.052  -2.546   0.439
   62   2HD2  LEU  33          2HD2      LEU  33   3.297  -2.377   0.445
   63   3HD2  LEU  33          3HD2      LEU  33   4.321  -0.947   0.311
   64    H    ASP  34           H        ASP  34   5.975  -5.107  -3.593
   65    HA   ASP  34           HA       ASP  34   8.499  -4.428  -2.247
   66   1HB   ASP  34          1HB       ASP  34   9.561  -6.018  -3.455
   67   2HB   ASP  34          2HB       ASP  34   7.940  -6.679  -3.619
   68    H    GLY  35           H        GLY  35  10.192  -3.506  -3.865
   69   1HA   GLY  35          1HA       GLY  35   9.483  -0.884  -4.357
   70   2HA   GLY  35          2HA       GLY  35  10.879  -1.679  -5.057
   71    H    ASP  36           H        ASP  36   8.992  -3.602  -6.464
   72    HA   ASP  36           HA       ASP  36   8.700  -2.091  -8.873
   73   1HB   ASP  36          1HB       ASP  36   9.223  -4.506  -8.864
   74   2HB   ASP  36          2HB       ASP  36   7.645  -4.846  -8.162
   75    H    GLY  37           H        GLY  37   6.728  -2.638  -6.122
   76   1HA   GLY  37          1HA       GLY  37   4.637  -1.598  -5.744
   77   2HA   GLY  37          2HA       GLY  37   4.418  -1.457  -7.489
   78    H    ASN  38           H        ASN  38   5.686  -4.392  -6.782
   79    HA   ASN  38           HA       ASN  38   3.258  -5.748  -7.504
   80   1HB   ASN  38          1HB       ASN  38   5.642  -6.304  -8.269
   81   2HB   ASN  38          2HB       ASN  38   5.868  -7.015  -6.676
   82   1HD2  ASN  38          1HD2      ASN  38   5.965  -8.222  -9.303
   83   2HD2  ASN  38          2HD2      ASN  38   4.796  -9.497  -9.286
   84    H    ILE  39           H        ILE  39   1.954  -6.874  -6.201
   85    HA   ILE  39           HA       ILE  39   2.446  -6.656  -3.332
   86    HB   ILE  39           HB       ILE  39   0.169  -7.754  -4.680
   87   1HG1  ILE  39          1HG1      ILE  39   0.727  -4.897  -3.878
   88   2HG1  ILE  39          2HG1      ILE  39   0.627  -5.498  -5.532
   89   1HG2  ILE  39          1HG2      ILE  39  -0.897  -7.090  -2.559
   90   2HG2  ILE  39          2HG2      ILE  39   0.668  -6.545  -1.953
   91   3HG2  ILE  39          3HG2      ILE  39   0.402  -8.255  -2.298
   92   1HD1  ILE  39          1HD1      ILE  39  -1.705  -6.108  -5.165
   93   2HD1  ILE  39          2HD1      ILE  39  -1.424  -4.390  -4.884
   94   3HD1  ILE  39          3HD1      ILE  39  -1.607  -5.490  -3.516
   95    H    LEU  40           H        LEU  40   2.675  -8.381  -1.988
   96    HA   LEU  40           HA       LEU  40   3.044 -10.974  -3.302
   97   1HB   LEU  40          1HB       LEU  40   4.078  -9.989  -0.651
   98   2HB   LEU  40          2HB       LEU  40   4.461 -11.533  -1.394
   99    HG   LEU  40           HG       LEU  40   6.335 -10.303  -1.893
  100   1HD1  LEU  40          1HD1      LEU  40   6.241  -9.673  -4.276
  101   2HD1  LEU  40          2HD1      LEU  40   4.478  -9.807  -4.212
  102   3HD1  LEU  40          3HD1      LEU  40   5.486 -11.234  -3.946
  103   1HD2  LEU  40          1HD2      LEU  40   5.600  -8.179  -0.992
  104   2HD2  LEU  40          2HD2      LEU  40   4.600  -7.904  -2.418
  105   3HD2  LEU  40          3HD2      LEU  40   6.356  -7.953  -2.569
  106    H    GLN  41           H        GLN  41   2.153  -9.839  -0.040
  107    HA   GLN  41           HA       GLN  41   0.002 -11.814  -0.067
  108   1HB   GLN  41          1HB       GLN  41   0.572 -12.479   2.252
  109   2HB   GLN  41          2HB       GLN  41   1.795 -12.930   1.075
  110   1HG   GLN  41          1HG       GLN  41   3.153 -11.015   1.770
  111   2HG   GLN  41          2HG       GLN  41   1.930 -10.589   2.966
  112   1HE2  GLN  41          1HE2      GLN  41   4.739 -11.305   3.326
  113   2HE2  GLN  41          2HE2      GLN  41   4.743 -12.675   4.388
  114    H    TYR  42           H        TYR  42  -1.812 -11.215   0.823
  115    HA   TYR  42           HA       TYR  42  -1.953  -8.651   2.236
  116   1HB   TYR  42          1HB       TYR  42  -3.900 -10.234   0.614
  117   2HB   TYR  42          2HB       TYR  42  -4.529  -9.249   1.928
  118    HD1  TYR  42           HD1      TYR  42  -5.808  -8.140   0.039
  119    HD2  TYR  42           HD2      TYR  42  -1.568  -7.881   0.397
  120    HE1  TYR  42           HE1      TYR  42  -5.818  -6.155  -1.391
  121    HE2  TYR  42           HE2      TYR  42  -1.576  -5.891  -1.048
  122    HH   TYR  42           HH       TYR  42  -4.340  -4.150  -1.775
  123    H    ASN  43           H        ASN  43  -2.175  -8.703   4.387
  124    HA   ASN  43           HA       ASN  43  -2.505 -11.017   5.928
  125   1HB   ASN  43          1HB       ASN  43  -2.895  -8.089   6.471
  126   2HB   ASN  43          2HB       ASN  43  -3.373  -9.273   7.679
  127   1HD2  ASN  43          1HD2      ASN  43  -1.849  -8.422   9.100
  128   2HD2  ASN  43          2HD2      ASN  43  -0.145  -8.752   8.921
  129    H    ALA  44           H        ALA  44  -4.338 -11.734   7.163
  130    HA   ALA  44           HA       ALA  44  -6.761 -11.932   5.789
  131   1HB   ALA  44          1HB       ALA  44  -6.301 -12.182   8.765
  132   2HB   ALA  44          2HB       ALA  44  -6.091 -13.471   7.580
  133   3HB   ALA  44          3HB       ALA  44  -7.694 -12.799   7.875
  134    H    ALA  45           H        ALA  45  -5.576  -9.608   8.090
  135    HA   ALA  45           HA       ALA  45  -7.809  -8.149   8.756
  136   1HB   ALA  45          1HB       ALA  45  -5.557  -7.805   9.662
  137   2HB   ALA  45          2HB       ALA  45  -6.291  -6.295   9.120
  138   3HB   ALA  45          3HB       ALA  45  -5.064  -7.087   8.129
  139    H    GLU  46           H        GLU  46  -5.842  -7.864   5.796
  140    HA   GLU  46           HA       GLU  46  -7.041  -5.439   4.956
  141   1HB   GLU  46          1HB       GLU  46  -4.802  -6.332   4.211
  142   2HB   GLU  46          2HB       GLU  46  -5.671  -7.466   3.186
  143   1HG   GLU  46          1HG       GLU  46  -4.947  -5.571   1.883
  144   2HG   GLU  46          2HG       GLU  46  -6.706  -5.580   1.998
  145    HE2  GLU  46           HE2      GLU  46  -6.857  -2.512   2.095
  146    H    GLY  47           H        GLY  47  -7.541  -8.811   3.959
  147   1HA   GLY  47          1HA       GLY  47  -9.715  -8.206   2.214
  148   2HA   GLY  47          2HA       GLY  47  -9.275  -9.799   2.811
  149    H    ASP  48           H        ASP  48  -9.506  -8.227   5.566
  150    HA   ASP  48           HA       ASP  48 -12.263  -9.083   5.986
  151   1HB   ASP  48          1HB       ASP  48 -10.599  -9.917   7.561
  152   2HB   ASP  48          2HB       ASP  48 -10.101  -8.272   7.945
  153    H    ILE  49           H        ILE  49 -10.216  -6.244   6.669
  154    HA   ILE  49           HA       ILE  49 -12.524  -4.694   7.430
  155    HB   ILE  49           HB       ILE  49  -9.833  -3.863   6.892
  156   1HG1  ILE  49          1HG1      ILE  49 -11.184  -4.829   9.397
  157   2HG1  ILE  49          2HG1      ILE  49  -9.851  -5.592   8.539
  158   1HG2  ILE  49          1HG2      ILE  49 -11.470  -2.048   6.867
  159   2HG2  ILE  49          2HG2      ILE  49 -10.488  -1.983   8.331
  160   3HG2  ILE  49          3HG2      ILE  49 -12.131  -2.619   8.400
  161   1HD1  ILE  49          1HD1      ILE  49  -9.751  -2.931   9.930
  162   2HD1  ILE  49          2HD1      ILE  49  -8.418  -3.688   9.057
  163   3HD1  ILE  49          3HD1      ILE  49  -9.059  -4.444  10.517
  164    H    THR  50           H        THR  50  -9.988  -3.911   5.032
  165    HA   THR  50           HA       THR  50 -11.966  -3.389   2.979
  166    HB   THR  50           HB       THR  50 -10.133  -1.349   3.865
  167    HG1  THR  50           HG1      THR  50 -12.648  -2.090   4.741
  168   1HG2  THR  50          1HG2      THR  50 -11.503   0.027   2.378
  169   2HG2  THR  50          2HG2      THR  50 -12.410  -1.407   1.896
  170   3HG2  THR  50          3HG2      THR  50 -10.694  -1.275   1.507
  171    H    GLY  51           H        GLY  51 -10.997  -4.615   1.427
  172   1HA   GLY  51          1HA       GLY  51  -8.712  -3.721   0.104
  173   2HA   GLY  51          2HA       GLY  51  -8.203  -4.979   1.218
  174    H    ARG  52           H        ARG  52  -7.699  -6.589  -0.125
  175    HA   ARG  52           HA       ARG  52  -9.787  -7.555  -1.964
  176   1HB   ARG  52          1HB       ARG  52  -6.889  -7.071  -2.422
  177   2HB   ARG  52          2HB       ARG  52  -7.583  -8.510  -3.153
  178   1HG   ARG  52          1HG       ARG  52  -7.591  -6.666  -4.721
  179   2HG   ARG  52          2HG       ARG  52  -9.238  -7.145  -4.312
  180   1HD   ARG  52          1HD       ARG  52  -9.321  -5.277  -2.684
  181   2HD   ARG  52          2HD       ARG  52  -7.723  -4.771  -3.234
  182    HE   ARG  52           HE       ARG  52  -8.728  -4.383  -5.433
  183   1HH1  ARG  52          1HH1      ARG  52 -10.834  -4.591  -2.644
  184   2HH1  ARG  52          2HH1      ARG  52 -12.148  -3.751  -3.410
  185   1HH2  ARG  52          1HH2      ARG  52 -10.427  -3.255  -6.443
  186   2HH2  ARG  52          2HH2      ARG  52 -11.906  -2.972  -5.569
  187    H    ASP  53           H        ASP  53  -9.256  -9.888  -2.642
  188    HA   ASP  53           HA       ASP  53  -9.310 -11.576  -0.409
  189   1HB   ASP  53          1HB       ASP  53  -8.898 -12.057  -3.346
  190   2HB   ASP  53          2HB       ASP  53  -8.774 -13.379  -2.193
  191    HA   PRO  54           HA       PRO  54  -5.092 -12.021   0.792
  192   1HB   PRO  54          1HB       PRO  54  -5.865 -14.838   1.338
  193   2HB   PRO  54          2HB       PRO  54  -5.124 -13.644   2.411
  194   1HG   PRO  54          1HG       PRO  54  -7.695 -14.295   2.668
  195   2HG   PRO  54          2HG       PRO  54  -7.150 -12.622   2.887
  196   1HD   PRO  54          1HD       PRO  54  -8.544 -13.873   0.559
  197   2HD   PRO  54          2HD       PRO  54  -8.749 -12.256   1.264
  198    H    LYS  55           H        LYS  55  -3.769 -12.004  -0.903
  199    HA   LYS  55           HA       LYS  55  -2.044 -12.903  -2.080
  200   1HB   LYS  55          1HB       LYS  55  -3.394 -15.568  -1.664
  201   2HB   LYS  55          2HB       LYS  55  -1.823 -15.335  -2.417
  202   1HG   LYS  55          1HG       LYS  55  -0.986 -14.364  -0.320
  203   2HG   LYS  55          2HG       LYS  55  -2.554 -14.673   0.427
  204   1HD   LYS  55          1HD       LYS  55  -0.655 -16.735  -0.691
  205   2HD   LYS  55          2HD       LYS  55  -0.984 -16.426   1.016
  206   1HE   LYS  55          1HE       LYS  55  -3.316 -17.091   0.683
  207   2HE   LYS  55          2HE       LYS  55  -2.988 -17.398  -1.022
  208   1HZ   LYS  55          1HZ       LYS  55  -1.855 -18.845   1.310
  209   2HZ   LYS  55          2HZ       LYS  55  -1.324 -19.064  -0.286
  210   3HZ   LYS  55          3HZ       LYS  55  -2.919 -19.459   0.137
  211    H    GLN  56           H        GLN  56  -5.057 -12.435  -3.038
  212    HA   GLN  56           HA       GLN  56  -4.633 -13.437  -5.751
  213   1HB   GLN  56          1HB       GLN  56  -6.951 -12.092  -4.389
  214   2HB   GLN  56          2HB       GLN  56  -6.871 -12.202  -6.144
  215   1HG   GLN  56          1HG       GLN  56  -6.702 -14.646  -5.961
  216   2HG   GLN  56          2HG       GLN  56  -6.836 -14.510  -4.214
  217   1HE2  GLN  56          1HE2      GLN  56  -8.689 -12.504  -6.414
  218   2HE2  GLN  56          2HE2      GLN  56 -10.216 -13.218  -6.047
  219    H    VAL  57           H        VAL  57  -3.018 -11.353  -4.382
  220    HA   VAL  57           HA       VAL  57  -3.315  -9.199  -6.367
  221    HB   VAL  57           HB       VAL  57  -1.928  -8.018  -4.738
  222   1HG1  VAL  57          1HG1      VAL  57  -4.203  -7.436  -5.452
  223   2HG1  VAL  57          2HG1      VAL  57  -4.017  -7.219  -3.712
  224   3HG1  VAL  57          3HG1      VAL  57  -4.865  -8.632  -4.338
  225   1HG2  VAL  57          1HG2      VAL  57  -2.474  -8.621  -2.429
  226   2HG2  VAL  57          2HG2      VAL  57  -1.503  -9.856  -3.229
  227   3HG2  VAL  57          3HG2      VAL  57  -3.234 -10.105  -3.002
  228    H    ILE  58           H        ILE  58  -1.752 -11.732  -6.470
  229    HA   ILE  58           HA       ILE  58   0.980 -10.821  -6.099
  230    HB   ILE  58           HB       ILE  58  -0.028 -13.349  -7.036
  231   1HG1  ILE  58          1HG1      ILE  58   0.814 -12.407  -4.295
  232   2HG1  ILE  58          2HG1      ILE  58  -0.825 -12.830  -4.787
  233   1HG2  ILE  58          1HG2      ILE  58   2.227 -14.105  -6.430
  234   2HG2  ILE  58          2HG2      ILE  58   2.677 -12.442  -6.055
  235   3HG2  ILE  58          3HG2      ILE  58   2.273 -12.894  -7.711
  236   1HD1  ILE  58          1HD1      ILE  58   0.199 -14.620  -3.514
  237   2HD1  ILE  58          2HD1      ILE  58   1.527 -14.704  -4.671
  238   3HD1  ILE  58          3HD1      ILE  58  -0.108 -15.131  -5.174
  239    H    GLY  59           H        GLY  59   2.407 -10.435  -7.704
  240   1HA   GLY  59          1HA       GLY  59   3.160 -10.058  -9.862
  241   2HA   GLY  59          2HA       GLY  59   1.806 -11.015 -10.454
  242    H    LYS  60           H        LYS  60   0.924  -8.595  -8.250
  243    HA   LYS  60           HA       LYS  60  -0.099  -7.017 -10.508
  244   1HB   LYS  60          1HB       LYS  60  -1.442  -8.163  -8.117
  245   2HB   LYS  60          2HB       LYS  60  -1.968  -6.563  -8.652
  246   1HG   LYS  60          1HG       LYS  60  -2.065  -7.715 -11.000
  247   2HG   LYS  60          2HG       LYS  60  -2.176  -9.186 -10.033
  248   1HD   LYS  60          1HD       LYS  60  -4.158  -8.416  -8.955
  249   2HD   LYS  60          2HD       LYS  60  -3.979  -6.804  -9.654
  250   1HE   LYS  60          1HE       LYS  60  -4.560  -9.364 -11.141
  251   2HE   LYS  60          2HE       LYS  60  -5.686  -8.040 -10.849
  252   1HZ   LYS  60          1HZ       LYS  60  -3.226  -7.921 -12.515
  253   2HZ   LYS  60          2HZ       LYS  60  -4.228  -6.596 -12.185
  254   3HZ   LYS  60          3HZ       LYS  60  -4.823  -7.906 -13.077
  255    H    ASN  61           H        ASN  61  -0.099  -4.813 -10.348
  256    HA   ASN  61           HA       ASN  61   1.742  -3.753  -8.363
  257   1HB   ASN  61          1HB       ASN  61   1.958  -3.174 -10.781
  258   2HB   ASN  61          2HB       ASN  61   0.400  -2.357 -10.694
  259   1HD2  ASN  61          1HD2      ASN  61   3.763  -2.193  -9.967
  260   2HD2  ASN  61          2HD2      ASN  61   3.767  -0.573  -9.363
  261    H    PHE  62           H        PHE  62   0.989  -3.052  -6.490
  262    HA   PHE  62           HA       PHE  62  -1.679  -2.688  -5.803
  263   1HB   PHE  62          1HB       PHE  62   0.071  -3.030  -4.140
  264   2HB   PHE  62          2HB       PHE  62   0.791  -1.476  -4.539
  265    HD1  PHE  62           HD1      PHE  62   0.101   0.471  -3.449
  266    HD2  PHE  62           HD2      PHE  62  -2.267  -3.054  -3.159
  267    HE1  PHE  62           HE1      PHE  62  -1.293   1.552  -1.733
  268    HE2  PHE  62           HE2      PHE  62  -3.663  -1.979  -1.442
  269    HZ   PHE  62           HZ       PHE  62  -3.155   0.341  -0.719
  270    H    PHE  63           H        PHE  63   0.597  -0.408  -7.146
  271    HA   PHE  63           HA       PHE  63  -0.921   1.917  -6.444
  272   1HB   PHE  63          1HB       PHE  63   1.348   1.625  -8.422
  273   2HB   PHE  63          2HB       PHE  63   0.738   3.137  -7.759
  274    HD1  PHE  63           HD1      PHE  63   2.682   0.113  -7.066
  275    HD2  PHE  63           HD2      PHE  63   1.302   3.832  -5.528
  276    HE1  PHE  63           HE1      PHE  63   4.274  -0.068  -5.201
  277    HE2  PHE  63           HE2      PHE  63   2.900   3.658  -3.667
  278    HZ   PHE  63           HZ       PHE  63   4.424   1.723  -3.535
  279    H    LYS  64           H        LYS  64  -1.381  -0.422  -8.770
  280    HA   LYS  64           HA       LYS  64  -2.891   1.439 -10.454
  281   1HB   LYS  64          1HB       LYS  64  -0.827  -0.535 -11.382
  282   2HB   LYS  64          2HB       LYS  64  -2.071   0.096 -12.455
  283   1HG   LYS  64          1HG       LYS  64  -1.277   2.378 -12.008
  284   2HG   LYS  64          2HG       LYS  64  -0.006   1.718 -10.976
  285   1HD   LYS  64          1HD       LYS  64  -0.314   0.817 -13.810
  286   2HD   LYS  64          2HD       LYS  64   0.554   2.304 -13.423
  287   1HE   LYS  64          1HE       LYS  64   1.205  -0.325 -12.117
  288   2HE   LYS  64          2HE       LYS  64   1.933   0.170 -13.646
  289   1HZ   LYS  64          1HZ       LYS  64   2.948   2.021 -12.625
  290   2HZ   LYS  64          2HZ       LYS  64   3.243   0.710 -11.597
  291   3HZ   LYS  64          3HZ       LYS  64   2.053   1.844 -11.198
  292    H    ASP  65           H        ASP  65  -2.150  -2.053 -10.217
  293    HA   ASP  65           HA       ASP  65  -4.582  -2.845 -11.431
  294   1HB   ASP  65          1HB       ASP  65  -2.623  -4.389  -9.730
  295   2HB   ASP  65          2HB       ASP  65  -3.983  -5.121 -10.569
  296    H    VAL  66           H        VAL  66  -3.789  -2.060  -8.143
  297    HA   VAL  66           HA       VAL  66  -6.367  -3.228  -7.310
  298    HB   VAL  66           HB       VAL  66  -4.178  -2.885  -5.516
  299   1HG1  VAL  66          1HG1      VAL  66  -6.525  -4.764  -5.727
  300   2HG1  VAL  66          2HG1      VAL  66  -6.378  -3.390  -4.630
  301   3HG1  VAL  66          3HG1      VAL  66  -5.312  -4.783  -4.447
  302   1HG2  VAL  66          1HG2      VAL  66  -3.450  -5.150  -5.975
  303   2HG2  VAL  66          2HG2      VAL  66  -3.227  -4.121  -7.390
  304   3HG2  VAL  66          3HG2      VAL  66  -4.577  -5.254  -7.327
  305    H    ALA  67           H        ALA  67  -5.168  -0.419  -8.007
  306    HA   ALA  67           HA       ALA  67  -6.822   1.189  -6.498
  307   1HB   ALA  67          1HB       ALA  67  -4.069   1.058  -5.261
  308   2HB   ALA  67          2HB       ALA  67  -5.566   0.488  -4.522
  309   3HB   ALA  67          3HB       ALA  67  -5.337   2.209  -4.836
  310    HA   PRO  68           HA       PRO  68  -4.586   3.256  -9.988
  311   1HB   PRO  68          1HB       PRO  68  -6.813   4.668 -10.773
  312   2HB   PRO  68          2HB       PRO  68  -6.368   3.074 -11.390
  313   1HG   PRO  68          1HG       PRO  68  -8.342   3.801  -9.266
  314   2HG   PRO  68          2HG       PRO  68  -8.473   2.585 -10.549
  315   1HD   PRO  68          1HD       PRO  68  -7.893   1.908  -8.011
  316   2HD   PRO  68          2HD       PRO  68  -7.188   1.043  -9.393
  317    H    CYS  69           H        CYS  69  -6.440   4.495  -7.261
  318    HA   CYS  69           HA       CYS  69  -5.862   7.185  -7.345
  319   1HB   CYS  69          1HB       CYS  69  -5.517   5.436  -4.900
  320   2HB   CYS  69          2HB       CYS  69  -5.719   7.179  -4.893
  321    H    THR  70           H        THR  70  -3.618   4.591  -7.020
  322    HA   THR  70           HA       THR  70  -2.292   5.982  -4.916
  323    HB   THR  70           HB       THR  70  -1.710   3.430  -6.098
  324    HG1  THR  70           HG1      THR  70  -3.643   2.888  -5.455
  325   1HG2  THR  70          1HG2      THR  70  -1.518   4.514  -3.300
  326   2HG2  THR  70          2HG2      THR  70  -0.158   4.259  -4.393
  327   3HG2  THR  70          3HG2      THR  70  -1.104   2.883  -3.825
  328    H    ASP  71           H        ASP  71  -1.602   5.033  -8.177
  329    HA   ASP  71           HA       ASP  71   1.270   5.290  -7.971
  330   1HB   ASP  71          1HB       ASP  71   0.151   3.720  -9.518
  331   2HB   ASP  71          2HB       ASP  71  -0.503   5.084 -10.418
  332    H    SER  72           H        SER  72   1.979   7.307  -7.498
  333    HA   SER  72           HA       SER  72   1.444   9.547  -9.203
  334   1HB   SER  72          1HB       SER  72   0.169   9.536  -6.446
  335   2HB   SER  72          2HB       SER  72   0.271  10.935  -7.509
  336    HG   SER  72           HG       SER  72  -1.593   9.044  -7.452
  337    HA   PRO  73           HA       PRO  73   5.283  10.854  -7.387
  338   1HB   PRO  73          1HB       PRO  73   4.196  13.615  -7.403
  339   2HB   PRO  73          2HB       PRO  73   5.674  12.981  -8.135
  340   1HG   PRO  73          1HG       PRO  73   3.565  13.594  -9.644
  341   2HG   PRO  73          2HG       PRO  73   4.557  12.166 -10.000
  342   1HD   PRO  73          1HD       PRO  73   1.876  12.330  -8.680
  343   2HD   PRO  73          2HD       PRO  73   2.490  11.138  -9.844
  344    H    GLU  74           H        GLU  74   2.270  12.035  -6.004
  345    HA   GLU  74           HA       GLU  74   3.551  12.834  -3.533
  346   1HB   GLU  74          1HB       GLU  74   1.219  13.404  -2.836
  347   2HB   GLU  74          2HB       GLU  74   1.780  14.232  -4.280
  348   1HG   GLU  74          1HG       GLU  74   0.569  12.490  -5.622
  349   2HG   GLU  74          2HG       GLU  74  -0.139  11.932  -4.107
  350    H    PHE  75           H        PHE  75   2.852   9.887  -4.671
  351    HA   PHE  75           HA       PHE  75   2.727   8.865  -1.937
  352   1HB   PHE  75          1HB       PHE  75   0.414   8.691  -2.838
  353   2HB   PHE  75          2HB       PHE  75   1.032   7.699  -4.159
  354    HD1  PHE  75           HD1      PHE  75   1.770   5.414  -3.769
  355    HD2  PHE  75           HD2      PHE  75   0.264   7.828  -0.600
  356    HE1  PHE  75           HE1      PHE  75   1.562   3.419  -2.340
  357    HE2  PHE  75           HE2      PHE  75   0.043   5.834   0.819
  358    HZ   PHE  75           HZ       PHE  75   0.695   3.626  -0.049
  359    H    TYR  76           H        TYR  76   2.612   7.389  -5.144
  360    HA   TYR  76           HA       TYR  76   4.505   5.408  -4.765
  361   1HB   TYR  76          1HB       TYR  76   2.984   5.498  -6.682
  362   2HB   TYR  76          2HB       TYR  76   3.810   6.924  -7.293
  363    HD1  TYR  76           HD1      TYR  76   5.608   6.703  -8.765
  364    HD2  TYR  76           HD2      TYR  76   4.325   3.324  -6.526
  365    HE1  TYR  76           HE1      TYR  76   7.096   5.268 -10.093
  366    HE2  TYR  76           HE2      TYR  76   5.811   1.876  -7.844
  367    HH   TYR  76           HH       TYR  76   8.246   3.111  -9.867
  368    H    GLY  77           H        GLY  77   4.939   8.768  -5.764
  369   1HA   GLY  77          1HA       GLY  77   7.718   8.634  -6.300
  370   2HA   GLY  77          2HA       GLY  77   6.813  10.090  -5.924
  371    H    LYS  78           H        LYS  78   5.909   9.092  -3.326
  372    HA   LYS  78           HA       LYS  78   8.263   9.773  -1.790
  373   1HB   LYS  78          1HB       LYS  78   5.529   8.971  -0.768
  374   2HB   LYS  78          2HB       LYS  78   6.796   9.793   0.134
  375   1HG   LYS  78          1HG       LYS  78   5.174  10.886  -2.148
  376   2HG   LYS  78          2HG       LYS  78   5.155  11.408  -0.461
  377   1HD   LYS  78          1HD       LYS  78   7.347  12.315  -0.632
  378   2HD   LYS  78          2HD       LYS  78   7.613  11.550  -2.201
  379   1HE   LYS  78          1HE       LYS  78   5.747  12.955  -3.099
  380   2HE   LYS  78          2HE       LYS  78   5.729  13.813  -1.558
  381   1HZ   LYS  78          1HZ       LYS  78   7.058  14.926  -3.299
  382   2HZ   LYS  78          2HZ       LYS  78   8.106  13.594  -3.325
  383   3HZ   LYS  78          3HZ       LYS  78   7.968  14.534  -1.921
  384    H    PHE  79           H        PHE  79   6.258   7.005  -2.434
  385    HA   PHE  79           HA       PHE  79   7.461   5.083  -0.794
  386   1HB   PHE  79          1HB       PHE  79   5.387   4.742  -2.061
  387   2HB   PHE  79          2HB       PHE  79   6.277   4.845  -3.571
  388    HD1  PHE  79           HD1      PHE  79   5.774   2.825  -0.534
  389    HD2  PHE  79           HD2      PHE  79   7.353   2.962  -4.480
  390    HE1  PHE  79           HE1      PHE  79   6.134   0.397  -0.466
  391    HE2  PHE  79           HE2      PHE  79   7.712   0.530  -4.421
  392    HZ   PHE  79           HZ       PHE  79   7.033  -0.757  -2.479
  393    H    LYS  80           H        LYS  80   8.404   6.535  -3.807
  394    HA   LYS  80           HA       LYS  80  10.703   4.803  -4.166
  395   1HB   LYS  80          1HB       LYS  80   9.317   6.903  -5.748
  396   2HB   LYS  80          2HB       LYS  80  11.034   6.685  -6.050
  397   1HG   LYS  80          1HG       LYS  80   9.284   5.389  -7.464
  398   2HG   LYS  80          2HG       LYS  80  10.755   4.574  -6.926
  399   1HD   LYS  80          1HD       LYS  80   9.442   3.709  -4.970
  400   2HD   LYS  80          2HD       LYS  80   7.990   4.384  -5.733
  401   1HE   LYS  80          1HE       LYS  80   8.366   1.946  -6.169
  402   2HE   LYS  80          2HE       LYS  80   8.206   2.942  -7.613
  403   1HZ   LYS  80          1HZ       LYS  80  10.776   1.980  -6.461
  404   2HZ   LYS  80          2HZ       LYS  80  10.599   2.909  -7.870
  405   3HZ   LYS  80          3HZ       LYS  80   9.998   1.330  -7.820
  406    H    GLU  81           H        GLU  81   9.953   7.689  -2.570
  407    HA   GLU  81           HA       GLU  81  12.344   9.157  -2.845
  408   1HB   GLU  81          1HB       GLU  81  10.185  10.062  -1.983
  409   2HB   GLU  81          2HB       GLU  81  10.419   9.136  -0.508
  410   1HG   GLU  81          1HG       GLU  81  11.067  11.355  -0.043
  411   2HG   GLU  81          2HG       GLU  81  12.551  10.411  -0.166
  412    H    GLY  82           H        GLY  82  11.224   6.977  -0.277
  413   1HA   GLY  82          1HA       GLY  82  13.551   7.090   1.293
  414   2HA   GLY  82          2HA       GLY  82  12.363   5.793   1.324
  415    H    VAL  83           H        VAL  83  12.576   4.780  -1.222
  416    HA   VAL  83           HA       VAL  83  14.759   3.068  -1.132
  417    HB   VAL  83           HB       VAL  83  13.459   4.052  -3.498
  418   1HG1  VAL  83          1HG1      VAL  83  13.973   1.779  -4.282
  419   2HG1  VAL  83          2HG1      VAL  83  14.851   1.472  -2.784
  420   3HG1  VAL  83          3HG1      VAL  83  15.432   2.697  -3.912
  421   1HG2  VAL  83          1HG2      VAL  83  11.791   3.459  -1.852
  422   2HG2  VAL  83          2HG2      VAL  83  12.612   1.928  -1.547
  423   3HG2  VAL  83          3HG2      VAL  83  11.877   2.237  -3.121
  424    H    ALA  84           H        ALA  84  14.334   5.972  -3.163
  425    HA   ALA  84           HA       ALA  84  16.839   5.936  -4.400
  426   1HB   ALA  84          1HB       ALA  84  14.969   7.328  -5.157
  427   2HB   ALA  84          2HB       ALA  84  16.436   8.279  -4.929
  428   3HB   ALA  84          3HB       ALA  84  15.148   8.343  -3.725
  429    H    SER  85           H        SER  85  15.798   7.445  -1.380
  430    HA   SER  85           HA       SER  85  18.245   8.738  -0.811
  431   1HB   SER  85          1HB       SER  85  16.124   7.786   1.127
  432   2HB   SER  85          2HB       SER  85  17.354   9.012   1.442
  433    HG   SER  85           HG       SER  85  15.053   9.143  -0.175
  434    H    GLY  86           H        GLY  86  16.909   6.074   1.131
  435   1HA   GLY  86          1HA       GLY  86  19.190   4.397   0.782
  436   2HA   GLY  86          2HA       GLY  86  19.262   5.265   2.312
  437    H    ASN  87           H        ASN  87  17.372   5.085   3.718
  438    HA   ASN  87           HA       ASN  87  16.334   2.354   3.660
  439   1HB   ASN  87          1HB       ASN  87  15.709   2.814   6.046
  440   2HB   ASN  87          2HB       ASN  87  17.436   2.909   5.724
  441   1HD2  ASN  87          1HD2      ASN  87  18.455   4.928   5.735
  442   2HD2  ASN  87          2HD2      ASN  87  17.730   6.296   6.514
  443    H    LEU  88           H        LEU  88  14.105   1.927   3.965
  444    HA   LEU  88           HA       LEU  88  12.411   4.131   3.040
  445   1HB   LEU  88          1HB       LEU  88  12.776   2.218   1.459
  446   2HB   LEU  88          2HB       LEU  88  11.962   1.184   2.613
  447    HG   LEU  88           HG       LEU  88  10.603   2.004   0.622
  448   1HD1  LEU  88          1HD1      LEU  88   9.562   2.545   3.396
  449   2HD1  LEU  88          2HD1      LEU  88   9.547   0.996   2.552
  450   3HD1  LEU  88          3HD1      LEU  88   8.576   2.339   1.950
  451   1HD2  LEU  88          1HD2      LEU  88  11.350   4.311   0.612
  452   2HD2  LEU  88          2HD2      LEU  88  10.655   4.563   2.214
  453   3HD2  LEU  88          3HD2      LEU  88   9.602   4.229   0.838
  454    H    ASN  89           H        ASN  89  11.299   4.911   4.713
  455    HA   ASN  89           HA       ASN  89   9.309   3.412   5.952
  456   1HB   ASN  89          1HB       ASN  89  10.030   3.313   8.277
  457   2HB   ASN  89          2HB       ASN  89  11.097   2.368   7.261
  458   1HD2  ASN  89          1HD2      ASN  89  12.673   4.515   6.275
  459   2HD2  ASN  89          2HD2      ASN  89  13.627   5.105   7.588
  460    H    THR  90           H        THR  90   8.078   5.089   5.352
  461    HA   THR  90           HA       THR  90   8.307   7.466   7.057
  462    HB   THR  90           HB       THR  90   7.359   7.452   4.341
  463    HG1  THR  90           HG1      THR  90   9.927   8.121   5.418
  464   1HG2  THR  90          1HG2      THR  90   6.529   9.277   5.699
  465   2HG2  THR  90          2HG2      THR  90   7.758   9.869   4.581
  466   3HG2  THR  90          3HG2      THR  90   8.159   9.618   6.281
  467    H    MET  91           H        MET  91   6.260   8.437   7.571
  468    HA   MET  91           HA       MET  91   3.908   6.840   6.835
  469   1HB   MET  91          1HB       MET  91   2.982   7.378   9.115
  470   2HB   MET  91          2HB       MET  91   4.329   6.251   9.102
  471   1HG   MET  91          1HG       MET  91   5.846   8.025   9.773
  472   2HG   MET  91          2HG       MET  91   4.518   9.187   9.738
  473   1HE   MET  91          1HE       MET  91   6.427   8.803  12.234
  474   2HE   MET  91          2HE       MET  91   5.271   8.808  13.565
  475   3HE   MET  91          3HE       MET  91   5.082   9.943  12.229
  476    H    PHE  92           H        PHE  92   2.902   8.114   5.424
  477    HA   PHE  92           HA       PHE  92   2.367  10.879   6.285
  478   1HB   PHE  92          1HB       PHE  92   2.447  11.596   3.921
  479   2HB   PHE  92          2HB       PHE  92   3.994  10.997   4.495
  480    HD1  PHE  92           HD1      PHE  92   1.466  10.734   1.993
  481    HD2  PHE  92           HD2      PHE  92   4.639   8.609   3.870
  482    HE1  PHE  92           HE1      PHE  92   1.556   9.185   0.085
  483    HE2  PHE  92           HE2      PHE  92   4.735   7.063   1.964
  484    HZ   PHE  92           HZ       PHE  92   3.238   7.404   0.026
  485    H    GLU  93           H        GLU  93   0.413  11.807   5.065
  486    HA   GLU  93           HA       GLU  93  -1.647   9.721   5.214
  487   1HB   GLU  93          1HB       GLU  93  -1.899  12.719   5.520
  488   2HB   GLU  93          2HB       GLU  93  -3.225  11.570   5.649
  489   1HG   GLU  93          1HG       GLU  93  -2.143  10.532   7.576
  490   2HG   GLU  93          2HG       GLU  93  -0.811  11.678   7.442
  491    H    TYR  94           H        TYR  94  -2.907   9.255   3.533
  492    HA   TYR  94           HA       TYR  94  -2.792  10.956   1.147
  493   1HB   TYR  94          1HB       TYR  94  -1.058   9.126   1.004
  494   2HB   TYR  94          2HB       TYR  94  -2.371   7.958   1.050
  495    HD1  TYR  94           HD1      TYR  94  -3.333   7.244  -0.938
  496    HD2  TYR  94           HD2      TYR  94  -1.174  10.910  -0.899
  497    HE1  TYR  94           HE1      TYR  94  -3.579   7.406  -3.378
  498    HE2  TYR  94           HE2      TYR  94  -1.410  11.081  -3.341
  499    HH   TYR  94           HH       TYR  94  -1.825   9.674  -5.260
  500    H    THR  95           H        THR  95  -4.501  10.382  -0.417
  501    HA   THR  95           HA       THR  95  -6.907   9.583   1.052
  502    HB   THR  95           HB       THR  95  -6.724  10.853  -1.508
  503    HG1  THR  95           HG1      THR  95  -6.938  12.789  -0.085
  504   1HG2  THR  95          1HG2      THR  95  -8.889   9.952  -0.792
  505   2HG2  THR  95          2HG2      THR  95  -8.883  11.716  -0.827
  506   3HG2  THR  95          3HG2      THR  95  -8.758  10.865   0.712
  507    H    PHE  96           H        PHE  96  -7.607   7.585   0.674
  508    HA   PHE  96           HA       PHE  96  -7.002   6.343  -1.924
  509   1HB   PHE  96          1HB       PHE  96  -7.223   5.198   0.844
  510   2HB   PHE  96          2HB       PHE  96  -7.492   4.179  -0.564
  511    HD1  PHE  96           HD1      PHE  96  -5.645   3.777  -2.161
  512    HD2  PHE  96           HD2      PHE  96  -5.063   5.891   1.483
  513    HE1  PHE  96           HE1      PHE  96  -3.215   3.456  -2.367
  514    HE2  PHE  96           HE2      PHE  96  -2.632   5.573   1.285
  515    HZ   PHE  96           HZ       PHE  96  -1.719   4.257  -0.642
  516    H    ASP  97           H        ASP  97  -8.742   6.664  -3.124
  517    HA   ASP  97           HA       ASP  97 -11.350   5.896  -1.994
  518   1HB   ASP  97          1HB       ASP  97 -10.887   8.058  -4.060
  519   2HB   ASP  97          2HB       ASP  97 -12.428   7.603  -3.346
  520    H    TYR  98           H        TYR  98 -11.470   3.849  -2.926
  521    HA   TYR  98           HA       TYR  98 -10.956   3.475  -5.718
  522   1HB   TYR  98          1HB       TYR  98 -11.094   1.666  -3.814
  523   2HB   TYR  98          2HB       TYR  98 -12.818   1.692  -4.171
  524    HD1  TYR  98           HD1      TYR  98  -9.516   0.753  -5.381
  525    HD2  TYR  98           HD2      TYR  98 -13.653   0.891  -6.352
  526    HE1  TYR  98           HE1      TYR  98  -9.112  -0.766  -7.263
  527    HE2  TYR  98           HE2      TYR  98 -13.261  -0.639  -8.241
  528    HH   TYR  98           HH       TYR  98 -10.351  -2.367  -8.628
  529    H    GLN  99           H        GLN  99 -12.148   5.553  -6.098
  530    HA   GLN  99           HA       GLN  99 -13.908   6.762  -6.858
  531   1HB   GLN  99          1HB       GLN  99 -15.352   4.125  -7.149
  532   2HB   GLN  99          2HB       GLN  99 -15.676   5.615  -8.015
  533   1HG   GLN  99          1HG       GLN  99 -13.895   5.372  -9.426
  534   2HG   GLN  99          2HG       GLN  99 -12.952   4.440  -8.261
  535   1HE2  GLN  99          1HE2      GLN  99 -14.854   2.444  -7.661
  536   2HE2  GLN  99          2HE2      GLN  99 -15.083   1.473  -9.067
  537    H    MET 100           H        MET 100 -13.744   7.205  -4.443
  538    HA   MET 100           HA       MET 100 -16.189   6.443  -3.006
  539   1HB   MET 100          1HB       MET 100 -14.173   5.004  -2.417
  540   2HB   MET 100          2HB       MET 100 -13.456   6.457  -1.734
  541   1HG   MET 100          1HG       MET 100 -14.468   5.108  -0.006
  542   2HG   MET 100          2HG       MET 100 -15.324   6.641  -0.170
  543   1HE   MET 100          1HE       MET 100 -15.387   2.793  -0.921
  544   2HE   MET 100          2HE       MET 100 -15.559   3.495  -2.530
  545   3HE   MET 100          3HE       MET 100 -16.906   2.622  -1.801
  546    H    THR 101           H        THR 101 -16.672   7.836  -1.150
  547    HA   THR 101           HA       THR 101 -16.167  10.573  -1.449
  548    HB   THR 101           HB       THR 101 -16.634  10.676   0.862
  549    HG1  THR 101           HG1      THR 101 -15.848   8.291   0.994
  550   1HG2  THR 101          1HG2      THR 101 -18.954  10.042   0.522
  551   2HG2  THR 101          2HG2      THR 101 -18.504   9.130  -0.919
  552   3HG2  THR 101          3HG2      THR 101 -18.318  10.884  -0.891
  553    HA   PRO 102           HA       PRO 102 -12.015  11.216  -0.435
  554   1HB   PRO 102          1HB       PRO 102 -12.770  13.192   1.657
  555   2HB   PRO 102          2HB       PRO 102 -11.716  13.383   0.253
  556   1HG   PRO 102          1HG       PRO 102 -14.156  14.425   0.260
  557   2HG   PRO 102          2HG       PRO 102 -13.491  13.680  -1.204
  558   1HD   PRO 102          1HD       PRO 102 -15.495  12.602   0.728
  559   2HD   PRO 102          2HD       PRO 102 -15.432  12.451  -1.036
  560    H    THR 103           H        THR 103 -11.758   9.119   0.519
  561    HA   THR 103           HA       THR 103 -11.719   8.975   3.441
  562    HB   THR 103           HB       THR 103 -10.696   7.103   1.526
  563    HG1  THR 103           HG1      THR 103 -12.922   7.851   1.098
  564   1HG2  THR 103          1HG2      THR 103 -11.886   6.840   4.281
  565   2HG2  THR 103          2HG2      THR 103 -10.166   6.765   3.903
  566   3HG2  THR 103          3HG2      THR 103 -11.259   5.533   3.276
  567    H    LYS 104           H        LYS 104 -10.022   9.994   4.381
  568    HA   LYS 104           HA       LYS 104  -7.395   9.782   3.080
  569   1HB   LYS 104          1HB       LYS 104  -8.277  11.626   5.311
  570   2HB   LYS 104          2HB       LYS 104  -6.704  11.633   4.530
  571   1HG   LYS 104          1HG       LYS 104  -7.876  12.159   2.377
  572   2HG   LYS 104          2HG       LYS 104  -9.349  12.382   3.324
  573   1HD   LYS 104          1HD       LYS 104  -8.205  14.107   4.660
  574   2HD   LYS 104          2HD       LYS 104  -6.764  13.902   3.662
  575   1HE   LYS 104          1HE       LYS 104  -8.181  14.492   1.678
  576   2HE   LYS 104          2HE       LYS 104  -9.468  14.910   2.806
  577   1HZ   LYS 104          1HZ       LYS 104  -8.284  16.881   2.221
  578   2HZ   LYS 104          2HZ       LYS 104  -6.792  16.177   2.616
  579   3HZ   LYS 104          3HZ       LYS 104  -7.920  16.516   3.838
  580    H    VAL 105           H        VAL 105  -6.002   8.385   3.848
  581    HA   VAL 105           HA       VAL 105  -6.241   7.558   6.664
  582    HB   VAL 105           HB       VAL 105  -5.383   5.527   6.076
  583   1HG1  VAL 105          1HG1      VAL 105  -7.785   5.860   6.299
  584   2HG1  VAL 105          2HG1      VAL 105  -7.431   4.691   5.027
  585   3HG1  VAL 105          3HG1      VAL 105  -7.887   6.342   4.606
  586   1HG2  VAL 105          1HG2      VAL 105  -5.374   4.827   3.737
  587   2HG2  VAL 105          2HG2      VAL 105  -4.181   6.084   4.061
  588   3HG2  VAL 105          3HG2      VAL 105  -5.692   6.492   3.249
  589    H    LYS 106           H        LYS 106  -4.169   6.604   7.510
  590    HA   LYS 106           HA       LYS 106  -1.913   8.193   6.493
  591   1HB   LYS 106          1HB       LYS 106  -2.649   8.431   8.913
  592   2HB   LYS 106          2HB       LYS 106  -2.108   6.776   9.157
  593   1HG   LYS 106          1HG       LYS 106   0.162   7.420   8.537
  594   2HG   LYS 106          2HG       LYS 106  -0.380   9.081   8.278
  595   1HD   LYS 106          1HD       LYS 106  -1.121   9.143  10.656
  596   2HD   LYS 106          2HD       LYS 106  -0.409   7.544  10.874
  597   1HE   LYS 106          1HE       LYS 106   1.783   8.433  10.285
  598   2HE   LYS 106          2HE       LYS 106   1.074  10.030  10.034
  599   1HZ   LYS 106          1HZ       LYS 106   2.053   9.954  12.202
  600   2HZ   LYS 106          2HZ       LYS 106   1.228   8.529  12.592
  601   3HZ   LYS 106          3HZ       LYS 106   0.367   9.977  12.392
  602    H    VAL 107           H        VAL 107  -0.347   7.161   5.429
  603    HA   VAL 107           HA       VAL 107  -0.437   4.242   5.505
  604    HB   VAL 107           HB       VAL 107  -1.031   5.066   3.536
  605   1HG1  VAL 107          1HG1      VAL 107  -0.060   7.269   3.538
  606   2HG1  VAL 107          2HG1      VAL 107   0.526   6.375   2.135
  607   3HG1  VAL 107          3HG1      VAL 107   1.568   6.590   3.541
  608   1HG2  VAL 107          1HG2      VAL 107   1.741   3.927   3.514
  609   2HG2  VAL 107          2HG2      VAL 107   0.648   3.986   2.132
  610   3HG2  VAL 107          3HG2      VAL 107   0.222   3.030   3.551
  611    H    HIS 108           H        HIS 108   1.114   3.336   6.540
  612    HA   HIS 108           HA       HIS 108   3.691   4.727   6.803
  613   1HB   HIS 108          1HB       HIS 108   2.317   4.122   8.869
  614   2HB   HIS 108          2HB       HIS 108   2.660   2.439   8.490
  615    HD1  HIS 108           HD1      HIS 108   3.771   2.562  10.961
  616    HD2  HIS 108           HD2      HIS 108   5.749   4.600   7.914
  617    HE1  HIS 108           HE1      HIS 108   6.080   3.030  11.837
  618    HE2  HIS 108           HE2      HIS 108   7.294   4.160   9.945
  619    H    MET 109           H        MET 109   4.926   4.026   5.137
  620    HA   MET 109           HA       MET 109   4.908   1.136   4.590
  621   1HB   MET 109          1HB       MET 109   5.621   1.564   2.395
  622   2HB   MET 109          2HB       MET 109   4.452   2.830   2.735
  623   1HG   MET 109          1HG       MET 109   7.417   3.233   2.958
  624   2HG   MET 109          2HG       MET 109   6.509   3.521   1.477
  625   1HE   MET 109          1HE       MET 109   8.282   5.774   2.585
  626   2HE   MET 109          2HE       MET 109   7.188   7.158   2.522
  627   3HE   MET 109          3HE       MET 109   7.192   5.975   1.214
  628    H    LYS 110           H        LYS 110   6.728  -0.122   4.796
  629    HA   LYS 110           HA       LYS 110   9.164   1.186   5.782
  630   1HB   LYS 110          1HB       LYS 110   7.626  -0.926   7.313
  631   2HB   LYS 110          2HB       LYS 110   9.246  -0.380   7.723
  632   1HG   LYS 110          1HG       LYS 110   8.397   1.872   8.113
  633   2HG   LYS 110          2HG       LYS 110   6.775   1.337   7.682
  634   1HD   LYS 110          1HD       LYS 110   6.952   1.421  10.074
  635   2HD   LYS 110          2HD       LYS 110   6.856  -0.267   9.576
  636   1HE   LYS 110          1HE       LYS 110   9.545   0.964   9.913
  637   2HE   LYS 110          2HE       LYS 110   8.624   0.559  11.359
  638   1HZ   LYS 110          1HZ       LYS 110   8.457  -1.719  10.577
  639   2HZ   LYS 110          2HZ       LYS 110  10.084  -1.247  10.701
  640   3HZ   LYS 110          3HZ       LYS 110   9.341  -1.336   9.182
  641    H    LYS 111           H        LYS 111  10.986   0.126   5.253
  642    HA   LYS 111           HA       LYS 111  10.753  -1.988   3.309
  643   1HB   LYS 111          1HB       LYS 111  12.308   0.013   3.160
  644   2HB   LYS 111          2HB       LYS 111  13.277  -0.746   4.413
  645   1HG   LYS 111          1HG       LYS 111  13.704  -2.646   2.970
  646   2HG   LYS 111          2HG       LYS 111  12.656  -1.946   1.733
  647   1HD   LYS 111          1HD       LYS 111  14.995  -1.545   1.201
  648   2HD   LYS 111          2HD       LYS 111  14.157  -0.030   1.531
  649   1HE   LYS 111          1HE       LYS 111  16.289   0.057   2.598
  650   2HE   LYS 111          2HE       LYS 111  15.063  -0.117   3.852
  651   1HZ   LYS 111          1HZ       LYS 111  15.583  -2.452   4.026
  652   2HZ   LYS 111          2HZ       LYS 111  17.001  -1.544   4.218
  653   3HZ   LYS 111          3HZ       LYS 111  16.701  -2.342   2.753
  654    H    ALA 112           H        ALA 112  11.335  -4.092   3.529
  655    HA   ALA 112           HA       ALA 112  12.649  -4.954   5.996
  656   1HB   ALA 112          1HB       ALA 112  10.245  -5.085   6.435
  657   2HB   ALA 112          2HB       ALA 112  10.981  -6.687   6.391
  658   3HB   ALA 112          3HB       ALA 112  10.043  -6.111   5.013
  659    H    LEU 113           H        LEU 113  12.624  -7.608   5.750
  660    HA   LEU 113           HA       LEU 113  13.932  -8.076   3.154
  661   1HB   LEU 113          1HB       LEU 113  14.279  -9.521   5.786
  662   2HB   LEU 113          2HB       LEU 113  15.119  -9.915   4.300
  663    HG   LEU 113           HG       LEU 113  15.395  -7.324   5.826
  664   1HD1  LEU 113          1HD1      LEU 113  17.320  -9.624   5.508
  665   2HD1  LEU 113          2HD1      LEU 113  16.400  -9.253   6.966
  666   3HD1  LEU 113          3HD1      LEU 113  17.619  -8.121   6.382
  667   1HD2  LEU 113          1HD2      LEU 113  16.812  -8.339   3.363
  668   2HD2  LEU 113          2HD2      LEU 113  17.239  -6.881   4.258
  669   3HD2  LEU 113          3HD2      LEU 113  15.682  -6.989   3.438
  670    H    SER 114           H        SER 114  13.965 -10.879   3.248
  671    HA   SER 114           HA       SER 114  12.780 -12.707   2.647
  672   1HB   SER 114          1HB       SER 114  10.521 -11.426   4.212
  673   2HB   SER 114          2HB       SER 114  10.580 -13.108   3.677
  674    HG   SER 114           HG       SER 114  12.836 -12.514   5.000
  675    H    GLY 115           H        GLY 115  13.110 -11.086   0.688
  676   1HA   GLY 115          1HA       GLY 115  11.844 -11.380  -1.447
  677   2HA   GLY 115          2HA       GLY 115  10.467 -10.709  -0.582
  678    H    ASP 116           H        ASP 116  13.023  -9.131   0.638
  679    HA   ASP 116           HA       ASP 116  13.768  -6.987   0.494
  680   1HB   ASP 116          1HB       ASP 116  13.908  -7.899  -2.367
  681   2HB   ASP 116          2HB       ASP 116  14.374  -6.262  -1.921
  682    H    SER 117           H        SER 117  11.080  -7.135   0.807
  683    HA   SER 117           HA       SER 117  10.004  -5.132  -1.002
  684   1HB   SER 117          1HB       SER 117   8.153  -6.836   0.582
  685   2HB   SER 117          2HB       SER 117   7.980  -6.217  -1.066
  686    HG   SER 117           HG       SER 117   9.902  -7.800  -1.374
  687    H    TYR 118           H        TYR 118   7.886  -4.191   0.329
  688    HA   TYR 118           HA       TYR 118   8.965  -3.278   2.899
  689   1HB   TYR 118          1HB       TYR 118   7.066  -1.681   1.191
  690   2HB   TYR 118          2HB       TYR 118   8.128  -1.115   2.476
  691    HD1  TYR 118           HD1      TYR 118   7.843  -1.950  -1.028
  692    HD2  TYR 118           HD2      TYR 118  10.543  -0.830   2.043
  693    HE1  TYR 118           HE1      TYR 118   9.526  -1.376  -2.727
  694    HE2  TYR 118           HE2      TYR 118  12.237  -0.247   0.357
  695    HH   TYR 118           HH       TYR 118  12.803  -0.731  -1.926
  696    H    TRP 119           H        TRP 119   7.461  -2.981   4.524
  697    HA   TRP 119           HA       TRP 119   4.901  -4.351   4.153
  698   1HB   TRP 119          1HB       TRP 119   6.633  -3.733   6.540
  699   2HB   TRP 119          2HB       TRP 119   4.921  -4.118   6.749
  700    HD1  TRP 119           HD1      TRP 119   8.263  -5.710   5.876
  701    HE1  TRP 119           HE1      TRP 119   8.001  -8.275   5.866
  702    HE3  TRP 119           HE3      TRP 119   3.180  -5.986   6.321
  703    HZ2  TRP 119           HZ2      TRP 119   5.898 -10.156   6.022
  704    HZ3  TRP 119           HZ3      TRP 119   2.118  -8.206   6.380
  705    HH2  TRP 119           HH2      TRP 119   3.450 -10.246   6.234
  706    H    VAL 120           H        VAL 120   3.367  -2.947   3.524
  707    HA   VAL 120           HA       VAL 120   3.527  -0.255   4.700
  708    HB   VAL 120           HB       VAL 120   3.508  -0.506   2.423
  709   1HG1  VAL 120          1HG1      VAL 120   2.047  -2.442   2.198
  710   2HG1  VAL 120          2HG1      VAL 120   1.446  -1.067   1.271
  711   3HG1  VAL 120          3HG1      VAL 120   0.690  -1.492   2.806
  712   1HG2  VAL 120          1HG2      VAL 120   2.816   1.534   3.477
  713   2HG2  VAL 120          2HG2      VAL 120   1.173   0.917   3.660
  714   3HG2  VAL 120          3HG2      VAL 120   1.826   1.220   2.049
  715    H    PHE 121           H        PHE 121   1.948   0.624   5.895
  716    HA   PHE 121           HA       PHE 121  -0.181  -1.203   6.799
  717   1HB   PHE 121          1HB       PHE 121   1.126   1.054   8.339
  718   2HB   PHE 121          2HB       PHE 121  -0.049  -0.097   8.966
  719    HD1  PHE 121           HD1      PHE 121   3.435   0.500   8.171
  720    HD2  PHE 121           HD2      PHE 121   0.600  -2.453   9.332
  721    HE1  PHE 121           HE1      PHE 121   5.268  -0.983   8.873
  722    HE2  PHE 121           HE2      PHE 121   2.429  -3.936  10.037
  723    HZ   PHE 121           HZ       PHE 121   4.773  -3.198   9.797
  724    H    VAL 122           H        VAL 122  -2.206  -0.580   6.416
  725    HA   VAL 122           HA       VAL 122  -2.688   2.264   5.797
  726    HB   VAL 122           HB       VAL 122  -4.243  -0.062   5.127
  727   1HG1  VAL 122          1HG1      VAL 122  -5.565   1.973   5.363
  728   2HG1  VAL 122          2HG1      VAL 122  -5.386   1.549   3.660
  729   3HG1  VAL 122          3HG1      VAL 122  -4.418   2.850   4.352
  730   1HG2  VAL 122          1HG2      VAL 122  -3.404   0.334   2.876
  731   2HG2  VAL 122          2HG2      VAL 122  -2.102  -0.081   3.989
  732   3HG2  VAL 122          3HG2      VAL 122  -2.339   1.595   3.493
  733    H    LYS 123           H        LYS 123  -3.601   3.307   7.431
  734    HA   LYS 123           HA       LYS 123  -5.826   2.026   8.852
  735   1HB   LYS 123          1HB       LYS 123  -3.734   1.823  10.223
  736   2HB   LYS 123          2HB       LYS 123  -3.630   3.576  10.245
  737   1HG   LYS 123          1HG       LYS 123  -4.578   2.892  12.303
  738   2HG   LYS 123          2HG       LYS 123  -5.877   3.608  11.348
  739   1HD   LYS 123          1HD       LYS 123  -6.625   1.366  10.695
  740   2HD   LYS 123          2HD       LYS 123  -5.322   0.658  11.651
  741   1HE   LYS 123          1HE       LYS 123  -6.273   1.695  13.672
  742   2HE   LYS 123          2HE       LYS 123  -7.600   2.332  12.703
  743   1HZ   LYS 123          1HZ       LYS 123  -8.192   0.024  12.138
  744   2HZ   LYS 123          2HZ       LYS 123  -8.286   0.325  13.803
  745   3HZ   LYS 123          3HZ       LYS 123  -6.970  -0.533  13.175
  746    H    ARG 124           H        ARG 124  -7.554   3.334   8.954
  747    HA   ARG 124           HA       ARG 124  -7.373   6.004   7.923
  748   1HB   ARG 124          1HB       ARG 124  -9.798   6.140   8.390
  749   2HB   ARG 124          2HB       ARG 124  -9.375   4.714   7.457
  750   1HG   ARG 124          1HG       ARG 124  -9.690   3.288   9.310
  751   2HG   ARG 124          2HG       ARG 124  -9.742   4.644  10.437
  752   1HD   ARG 124          1HD       ARG 124 -11.974   3.835  10.107
  753   2HD   ARG 124          2HD       ARG 124 -11.828   5.412   9.334
  754    HE   ARG 124           HE       ARG 124 -11.317   3.343   7.469
  755   1HH1  ARG 124          1HH1      ARG 124 -13.933   4.885   9.218
  756   2HH1  ARG 124          2HH1      ARG 124 -15.143   4.460   8.042
  757   1HH2  ARG 124          1HH2      ARG 124 -12.906   2.795   5.907
  758   2HH2  ARG 124          2HH2      ARG 124 -14.551   3.317   6.141
  759    H    VAL 125           H        VAL 125  -6.631   7.652   9.058
  760    HA   VAL 125           HA       VAL 125  -7.342   7.785  11.903
  761    HB   VAL 125           HB       VAL 125  -5.511   9.265  12.095
  762   1HG1  VAL 125          1HG1      VAL 125  -5.094   6.361  11.400
  763   2HG1  VAL 125          2HG1      VAL 125  -5.559   7.002  12.975
  764   3HG1  VAL 125          3HG1      VAL 125  -3.964   7.361  12.312
  765   1HG2  VAL 125          1HG2      VAL 125  -5.067   9.751   9.772
  766   2HG2  VAL 125          2HG2      VAL 125  -4.779   8.040   9.450
  767   3HG2  VAL 125          3HG2      VAL 125  -3.684   8.935  10.504
  768    H2   HC4 169           H2       HC4 169  -7.977   4.003  -3.147
  769    H3   HC4 169           H3       HC4 169  -8.104   1.778  -5.102
  770    H2'  HC4 169           H2'      HC4 169  -8.038  -0.496  -3.981
  771    H3'  HC4 169           H3'      HC4 169  -8.434  -1.913  -2.010
  772    H5'  HC4 169           H5'      HC4 169  -8.270   1.546   0.464
  773    H6'  HC4 169           H6'      HC4 169  -8.116   2.967  -1.537
  Start of MODEL   12
    1    H    LEU  26           H        LEU  26  -9.349  -9.581  12.966
    2    HA   LEU  26           HA       LEU  26  -7.669  -9.012  11.496
    3   1HB   LEU  26          1HB       LEU  26  -8.059  -7.795   9.399
    4   2HB   LEU  26          2HB       LEU  26  -8.751  -9.387   9.378
    5    HG   LEU  26           HG       LEU  26 -10.124  -7.884   8.197
    6   1HD1  LEU  26          1HD1      LEU  26 -12.278  -8.147   9.311
    7   2HD1  LEU  26          2HD1      LEU  26 -11.439  -8.586  10.800
    8   3HD1  LEU  26          3HD1      LEU  26 -11.305  -9.617   9.376
    9   1HD2  LEU  26          1HD2      LEU  26 -10.271  -6.206  10.684
   10   2HD2  LEU  26          2HD2      LEU  26 -11.273  -5.977   9.252
   11   3HD2  LEU  26          3HD2      LEU  26  -9.525  -5.770   9.148
   12    H    ALA  27           H        ALA  27  -6.666  -6.918  11.371
   13    HA   ALA  27           HA       ALA  27  -8.186  -4.742  12.603
   14   1HB   ALA  27          1HB       ALA  27  -6.353  -4.252  14.141
   15   2HB   ALA  27          2HB       ALA  27  -5.471  -5.660  13.547
   16   3HB   ALA  27          3HB       ALA  27  -6.990  -5.875  14.417
   17    H    PHE  28           H        PHE  28  -8.185  -3.403  10.927
   18    HA   PHE  28           HA       PHE  28  -7.488  -1.830   9.464
   19   1HB   PHE  28          1HB       PHE  28  -4.879  -2.167  10.950
   20   2HB   PHE  28          2HB       PHE  28  -5.158  -0.927   9.731
   21    HD1  PHE  28           HD1      PHE  28  -6.937   0.792  10.134
   22    HD2  PHE  28           HD2      PHE  28  -5.621  -1.898  13.152
   23    HE1  PHE  28           HE1      PHE  28  -7.881   2.271  11.855
   24    HE2  PHE  28           HE2      PHE  28  -6.563  -0.427  14.882
   25    HZ   PHE  28           HZ       PHE  28  -7.748   1.650  14.215
   26    H    GLY  29           H        GLY  29  -5.273  -1.454   7.925
   27   1HA   GLY  29          1HA       GLY  29  -5.337  -3.928   6.342
   28   2HA   GLY  29          2HA       GLY  29  -5.067  -2.314   5.699
   29    H    ALA  30           H        ALA  30  -3.568  -5.055   5.954
   30    HA   ALA  30           HA       ALA  30  -0.952  -3.825   6.497
   31   1HB   ALA  30          1HB       ALA  30  -1.552  -5.320   8.347
   32   2HB   ALA  30          2HB       ALA  30  -0.176  -5.942   7.434
   33   3HB   ALA  30          3HB       ALA  30  -1.777  -6.642   7.200
   34    H    ILE  31           H        ILE  31  -0.128  -3.586   4.508
   35    HA   ILE  31           HA       ILE  31  -0.445  -5.810   2.597
   36    HB   ILE  31           HB       ILE  31   0.223  -3.098   1.962
   37   1HG1  ILE  31          1HG1      ILE  31  -1.903  -3.093   3.230
   38   2HG1  ILE  31          2HG1      ILE  31  -2.113  -2.674   1.534
   39   1HG2  ILE  31          1HG2      ILE  31  -0.698  -3.785  -0.197
   40   2HG2  ILE  31          2HG2      ILE  31  -1.008  -5.396   0.450
   41   3HG2  ILE  31          3HG2      ILE  31   0.649  -4.814   0.287
   42   1HD1  ILE  31          1HD1      ILE  31  -2.708  -5.354   2.775
   43   2HD1  ILE  31          2HD1      ILE  31  -2.929  -4.929   1.078
   44   3HD1  ILE  31          3HD1      ILE  31  -3.892  -4.129   2.321
   45    H    GLN  32           H        GLN  32   1.381  -6.351   1.306
   46    HA   GLN  32           HA       GLN  32   3.927  -5.149   2.172
   47   1HB   GLN  32          1HB       GLN  32   3.664  -7.444   3.044
   48   2HB   GLN  32          2HB       GLN  32   3.427  -8.037   1.406
   49   1HG   GLN  32          1HG       GLN  32   5.679  -7.414   0.813
   50   2HG   GLN  32          2HG       GLN  32   5.925  -6.692   2.403
   51   1HE2  GLN  32          1HE2      GLN  32   7.677  -8.051   2.800
   52   2HE2  GLN  32          2HE2      GLN  32   7.467  -9.721   3.191
   53    H    LEU  33           H        LEU  33   4.466  -3.833   0.529
   54    HA   LEU  33           HA       LEU  33   4.034  -4.768  -2.213
   55   1HB   LEU  33          1HB       LEU  33   4.661  -1.968  -1.289
   56   2HB   LEU  33          2HB       LEU  33   4.299  -2.452  -2.927
   57    HG   LEU  33           HG       LEU  33   2.376  -1.389  -2.141
   58   1HD1  LEU  33          1HD1      LEU  33   0.676  -3.129  -2.120
   59   2HD1  LEU  33          2HD1      LEU  33   1.924  -4.343  -1.841
   60   3HD1  LEU  33          3HD1      LEU  33   1.904  -3.427  -3.349
   61   1HD2  LEU  33          1HD2      LEU  33   2.544  -3.072   0.342
   62   2HD2  LEU  33          2HD2      LEU  33   1.240  -1.950  -0.051
   63   3HD2  LEU  33          3HD2      LEU  33   2.875  -1.344   0.217
   64    H    ASP  34           H        ASP  34   5.767  -4.859  -3.686
   65    HA   ASP  34           HA       ASP  34   8.410  -4.424  -2.472
   66   1HB   ASP  34          1HB       ASP  34   9.352  -5.907  -4.147
   67   2HB   ASP  34          2HB       ASP  34   8.040  -6.709  -3.300
   68    H    GLY  35           H        GLY  35  10.135  -3.804  -4.171
   69   1HA   GLY  35          1HA       GLY  35   9.676  -1.110  -4.662
   70   2HA   GLY  35          2HA       GLY  35  11.019  -2.033  -5.301
   71    H    ASP  36           H        ASP  36   8.973  -3.773  -6.785
   72    HA   ASP  36           HA       ASP  36   8.958  -2.188  -9.191
   73   1HB   ASP  36          1HB       ASP  36   7.973  -4.955  -8.514
   74   2HB   ASP  36          2HB       ASP  36   7.616  -4.216 -10.070
   75    H    GLY  37           H        GLY  37   6.896  -2.587  -6.556
   76   1HA   GLY  37          1HA       GLY  37   4.943  -1.248  -6.254
   77   2HA   GLY  37          2HA       GLY  37   4.694  -1.275  -7.996
   78    H    ASN  38           H        ASN  38   5.643  -4.264  -6.809
   79    HA   ASN  38           HA       ASN  38   2.998  -5.304  -7.398
   80   1HB   ASN  38          1HB       ASN  38   5.665  -6.650  -6.964
   81   2HB   ASN  38          2HB       ASN  38   4.161  -7.544  -7.187
   82   1HD2  ASN  38          1HD2      ASN  38   6.523  -7.554  -8.841
   83   2HD2  ASN  38          2HD2      ASN  38   6.018  -7.039 -10.420
   84    H    ILE  39           H        ILE  39   1.775  -6.538  -6.054
   85    HA   ILE  39           HA       ILE  39   2.313  -6.213  -3.204
   86    HB   ILE  39           HB       ILE  39   0.048  -7.478  -4.409
   87   1HG1  ILE  39          1HG1      ILE  39   0.410  -4.538  -3.870
   88   2HG1  ILE  39          2HG1      ILE  39   0.482  -5.259  -5.474
   89   1HG2  ILE  39          1HG2      ILE  39  -0.991  -6.626  -2.353
   90   2HG2  ILE  39          2HG2      ILE  39   0.565  -5.962  -1.853
   91   3HG2  ILE  39          3HG2      ILE  39   0.358  -7.708  -2.003
   92   1HD1  ILE  39          1HD1      ILE  39  -1.893  -5.299  -3.630
   93   2HD1  ILE  39          2HD1      ILE  39  -1.822  -6.012  -5.242
   94   3HD1  ILE  39          3HD1      ILE  39  -1.684  -4.265  -5.044
   95    H    LEU  40           H        LEU  40   2.467  -7.926  -1.789
   96    HA   LEU  40           HA       LEU  40   2.619 -10.606  -2.979
   97   1HB   LEU  40          1HB       LEU  40   3.663  -9.572  -0.343
   98   2HB   LEU  40          2HB       LEU  40   3.790 -11.237  -0.883
   99    HG   LEU  40           HG       LEU  40   5.118  -8.840  -2.159
  100   1HD1  LEU  40          1HD1      LEU  40   6.239 -11.196  -0.650
  101   2HD1  LEU  40          2HD1      LEU  40   6.181  -9.522  -0.093
  102   3HD1  LEU  40          3HD1      LEU  40   7.187  -9.959  -1.473
  103   1HD2  LEU  40          1HD2      LEU  40   4.429 -10.466  -3.846
  104   2HD2  LEU  40          2HD2      LEU  40   5.230 -11.752  -2.943
  105   3HD2  LEU  40          3HD2      LEU  40   6.182 -10.448  -3.654
  106    H    GLN  41           H        GLN  41   1.945  -9.573   0.338
  107    HA   GLN  41           HA       GLN  41  -0.514 -11.173   0.202
  108   1HB   GLN  41          1HB       GLN  41  -0.127 -11.591   2.661
  109   2HB   GLN  41          2HB       GLN  41   1.004 -12.363   1.563
  110   1HG   GLN  41          1HG       GLN  41   2.606 -10.515   2.005
  111   2HG   GLN  41          2HG       GLN  41   1.485  -9.901   3.218
  112   1HE2  GLN  41          1HE2      GLN  41   4.236 -10.930   3.437
  113   2HE2  GLN  41          2HE2      GLN  41   4.161 -12.206   4.609
  114    H    TYR  42           H        TYR  42  -2.338 -10.352   0.889
  115    HA   TYR  42           HA       TYR  42  -2.413  -7.600   1.892
  116   1HB   TYR  42          1HB       TYR  42  -4.299  -9.404   0.475
  117   2HB   TYR  42          2HB       TYR  42  -5.005  -8.272   1.613
  118    HD1  TYR  42           HD1      TYR  42  -6.247  -7.335  -0.250
  119    HD2  TYR  42           HD2      TYR  42  -1.994  -7.197  -0.154
  120    HE1  TYR  42           HE1      TYR  42  -6.284  -5.582  -1.961
  121    HE2  TYR  42           HE2      TYR  42  -2.023  -5.437  -1.878
  122    HH   TYR  42           HH       TYR  42  -4.804  -3.741  -2.737
  123    H    ASN  43           H        ASN  43  -4.509  -7.352   3.359
  124    HA   ASN  43           HA       ASN  43  -4.530  -9.493   5.379
  125   1HB   ASN  43          1HB       ASN  43  -3.596  -7.264   6.155
  126   2HB   ASN  43          2HB       ASN  43  -5.193  -6.577   5.874
  127   1HD2  ASN  43          1HD2      ASN  43  -5.480  -6.049   8.037
  128   2HD2  ASN  43          2HD2      ASN  43  -5.741  -7.269   9.261
  129    H    ALA  44           H        ALA  44  -6.668  -9.696   6.490
  130    HA   ALA  44           HA       ALA  44  -8.681 -10.187   4.623
  131   1HB   ALA  44          1HB       ALA  44  -9.003  -9.862   7.597
  132   2HB   ALA  44          2HB       ALA  44  -8.476 -11.334   6.782
  133   3HB   ALA  44          3HB       ALA  44 -10.103 -10.708   6.507
  134    H    ALA  45           H        ALA  45  -7.951  -7.270   6.321
  135    HA   ALA  45           HA       ALA  45 -10.465  -6.030   6.370
  136   1HB   ALA  45          1HB       ALA  45  -9.252  -3.936   6.590
  137   2HB   ALA  45          2HB       ALA  45  -7.767  -4.718   6.050
  138   3HB   ALA  45          3HB       ALA  45  -8.502  -5.186   7.583
  139    H    GLU  46           H        GLU  46  -7.923  -6.020   3.897
  140    HA   GLU  46           HA       GLU  46  -9.190  -4.258   2.107
  141   1HB   GLU  46          1HB       GLU  46  -7.016  -6.292   1.881
  142   2HB   GLU  46          2HB       GLU  46  -7.704  -5.626   0.409
  143   1HG   GLU  46          1HG       GLU  46  -5.645  -4.488   1.219
  144   2HG   GLU  46          2HG       GLU  46  -7.035  -3.433   0.979
  145    HE2  GLU  46           HE2      GLU  46  -7.339  -1.826   2.684
  146    H    GLY  47           H        GLY  47  -9.633  -7.642   2.734
  147   1HA   GLY  47          1HA       GLY  47 -11.140  -8.036   0.277
  148   2HA   GLY  47          2HA       GLY  47 -10.802  -9.256   1.501
  149    H    ASP  48           H        ASP  48 -11.785  -7.000   3.450
  150    HA   ASP  48           HA       ASP  48 -14.578  -7.834   3.293
  151   1HB   ASP  48          1HB       ASP  48 -13.440  -8.085   5.457
  152   2HB   ASP  48          2HB       ASP  48 -13.122  -6.352   5.493
  153    H    ILE  49           H        ILE  49 -12.738  -4.830   3.789
  154    HA   ILE  49           HA       ILE  49 -15.000  -3.148   3.368
  155    HB   ILE  49           HB       ILE  49 -12.207  -2.583   3.030
  156   1HG1  ILE  49          1HG1      ILE  49 -12.566  -3.579   5.172
  157   2HG1  ILE  49          2HG1      ILE  49 -12.300  -1.854   5.355
  158   1HG2  ILE  49          1HG2      ILE  49 -14.621  -0.862   3.579
  159   2HG2  ILE  49          2HG2      ILE  49 -13.669  -0.882   2.094
  160   3HG2  ILE  49          3HG2      ILE  49 -12.948  -0.304   3.595
  161   1HD1  ILE  49          1HD1      ILE  49 -14.972  -3.243   5.460
  162   2HD1  ILE  49          2HD1      ILE  49 -14.697  -1.511   5.651
  163   3HD1  ILE  49          3HD1      ILE  49 -14.056  -2.642   6.843
  164    H    THR  50           H        THR  50 -12.081  -3.680   1.389
  165    HA   THR  50           HA       THR  50 -13.276  -2.444  -0.902
  166    HB   THR  50           HB       THR  50 -10.949  -4.099  -0.853
  167    HG1  THR  50           HG1      THR  50 -10.030  -1.875  -0.342
  168   1HG2  THR  50          1HG2      THR  50 -11.734  -3.296  -3.017
  169   2HG2  THR  50          2HG2      THR  50 -10.248  -2.475  -2.537
  170   3HG2  THR  50          3HG2      THR  50 -11.799  -1.650  -2.387
  171    H    GLY  51           H        GLY  51 -12.129  -5.757  -0.221
  172   1HA   GLY  51          1HA       GLY  51 -13.677  -7.585  -0.831
  173   2HA   GLY  51          2HA       GLY  51 -14.009  -6.688  -2.307
  174    H    ARG  52           H        ARG  52 -10.776  -6.556  -1.295
  175    HA   ARG  52           HA       ARG  52 -10.020  -8.322  -3.507
  176   1HB   ARG  52          1HB       ARG  52  -8.293  -6.411  -1.921
  177   2HB   ARG  52          2HB       ARG  52  -7.855  -7.236  -3.408
  178   1HG   ARG  52          1HG       ARG  52 -10.055  -5.201  -3.170
  179   2HG   ARG  52          2HG       ARG  52  -8.417  -4.861  -3.730
  180   1HD   ARG  52          1HD       ARG  52  -8.733  -6.484  -5.558
  181   2HD   ARG  52          2HD       ARG  52 -10.391  -6.746  -5.015
  182    HE   ARG  52           HE       ARG  52 -10.491  -4.157  -5.398
  183   1HH1  ARG  52          1HH1      ARG  52  -8.897  -6.554  -7.391
  184   2HH1  ARG  52          2HH1      ARG  52  -9.062  -5.632  -8.856
  185   1HH2  ARG  52          1HH2      ARG  52 -10.726  -2.957  -7.308
  186   2HH2  ARG  52          2HH2      ARG  52 -10.107  -3.580  -8.807
  187    H    ASP  53           H        ASP  53  -9.696 -10.370  -2.909
  188    HA   ASP  53           HA       ASP  53  -9.211 -11.197  -0.262
  189   1HB   ASP  53          1HB       ASP  53  -8.877 -12.657  -2.885
  190   2HB   ASP  53          2HB       ASP  53  -8.694 -13.426  -1.311
  191    HA   PRO  54           HA       PRO  54  -5.135 -10.363   0.669
  192   1HB   PRO  54          1HB       PRO  54  -4.898 -13.177   1.611
  193   2HB   PRO  54          2HB       PRO  54  -4.546 -11.668   2.461
  194   1HG   PRO  54          1HG       PRO  54  -6.769 -13.013   2.999
  195   2HG   PRO  54          2HG       PRO  54  -6.792 -11.242   2.904
  196   1HD   PRO  54          1HD       PRO  54  -7.752 -13.263   0.926
  197   2HD   PRO  54          2HD       PRO  54  -8.445 -11.686   1.359
  198    H    LYS  55           H        LYS  55  -5.617 -13.278  -1.235
  199    HA   LYS  55           HA       LYS  55  -2.825 -13.039  -2.131
  200   1HB   LYS  55          1HB       LYS  55  -4.386 -15.538  -1.493
  201   2HB   LYS  55          2HB       LYS  55  -2.891 -15.556  -2.424
  202   1HG   LYS  55          1HG       LYS  55  -1.671 -14.620  -0.569
  203   2HG   LYS  55          2HG       LYS  55  -3.159 -14.446   0.363
  204   1HD   LYS  55          1HD       LYS  55  -3.437 -16.826   0.474
  205   2HD   LYS  55          2HD       LYS  55  -2.079 -17.079  -0.626
  206   1HE   LYS  55          1HE       LYS  55  -1.483 -17.491   1.728
  207   2HE   LYS  55          2HE       LYS  55  -0.540 -16.190   1.006
  208   1HZ   LYS  55          1HZ       LYS  55  -2.941 -15.770   2.710
  209   2HZ   LYS  55          2HZ       LYS  55  -1.887 -14.577   2.130
  210   3HZ   LYS  55          3HZ       LYS  55  -1.344 -15.703   3.274
  211    H    GLN  56           H        GLN  56  -5.353 -11.995  -3.300
  212    HA   GLN  56           HA       GLN  56  -5.421 -13.495  -5.806
  213   1HB   GLN  56          1HB       GLN  56  -7.088 -11.232  -4.734
  214   2HB   GLN  56          2HB       GLN  56  -7.174 -11.731  -6.418
  215   1HG   GLN  56          1HG       GLN  56  -7.742 -13.465  -4.029
  216   2HG   GLN  56          2HG       GLN  56  -8.936 -12.750  -5.110
  217   1HE2  GLN  56          1HE2      GLN  56  -8.411 -15.553  -4.473
  218   2HE2  GLN  56          2HE2      GLN  56  -8.059 -16.332  -5.984
  219    H    VAL  57           H        VAL  57  -3.539 -11.195  -4.500
  220    HA   VAL  57           HA       VAL  57  -3.106  -9.803  -6.997
  221    HB   VAL  57           HB       VAL  57  -1.291  -8.813  -5.627
  222   1HG1  VAL  57          1HG1      VAL  57  -3.234  -7.727  -6.643
  223   2HG1  VAL  57          2HG1      VAL  57  -2.975  -7.146  -4.998
  224   3HG1  VAL  57          3HG1      VAL  57  -4.255  -8.313  -5.330
  225   1HG2  VAL  57          1HG2      VAL  57  -1.803 -10.435  -3.696
  226   2HG2  VAL  57          2HG2      VAL  57  -3.285  -9.505  -3.486
  227   3HG2  VAL  57          3HG2      VAL  57  -1.718  -8.714  -3.324
  228    H    ILE  58           H        ILE  58  -0.413 -10.573  -4.872
  229    HA   ILE  58           HA       ILE  58   1.572 -11.569  -5.232
  230    HB   ILE  58           HB       ILE  58  -0.036 -13.361  -6.798
  231   1HG1  ILE  58          1HG1      ILE  58  -0.826 -12.947  -4.452
  232   2HG1  ILE  58          2HG1      ILE  58  -0.331 -14.601  -4.791
  233   1HG2  ILE  58          1HG2      ILE  58   1.744 -14.953  -6.265
  234   2HG2  ILE  58          2HG2      ILE  58   2.653 -13.673  -5.463
  235   3HG2  ILE  58          3HG2      ILE  58   2.363 -13.592  -7.201
  236   1HD1  ILE  58          1HD1      ILE  58   1.790 -14.208  -3.672
  237   2HD1  ILE  58          2HD1      ILE  58   0.433 -13.849  -2.605
  238   3HD1  ILE  58          3HD1      ILE  58   1.326 -12.533  -3.366
  239    H    GLY  59           H        GLY  59   2.850 -10.260  -6.435
  240   1HA   GLY  59          1HA       GLY  59   4.034  -9.561  -8.299
  241   2HA   GLY  59          2HA       GLY  59   3.352 -10.931  -9.172
  242    H    LYS  60           H        LYS  60   1.466  -8.628  -7.500
  243    HA   LYS  60           HA       LYS  60   0.211  -7.772 -10.009
  244   1HB   LYS  60          1HB       LYS  60  -0.725  -8.728  -7.410
  245   2HB   LYS  60          2HB       LYS  60  -1.506  -7.222  -7.906
  246   1HG   LYS  60          1HG       LYS  60  -1.367  -9.661  -9.659
  247   2HG   LYS  60          2HG       LYS  60  -2.696  -9.337  -8.543
  248   1HD   LYS  60          1HD       LYS  60  -2.956  -7.120  -9.686
  249   2HD   LYS  60          2HD       LYS  60  -1.835  -7.707 -10.915
  250   1HE   LYS  60          1HE       LYS  60  -4.011  -8.103 -11.754
  251   2HE   LYS  60          2HE       LYS  60  -3.397  -9.668 -11.216
  252   1HZ   LYS  60          1HZ       LYS  60  -4.697  -9.516  -9.234
  253   2HZ   LYS  60          2HZ       LYS  60  -5.722  -9.204 -10.544
  254   3HZ   LYS  60          3HZ       LYS  60  -5.160  -7.920  -9.580
  255    H    ASN  61           H        ASN  61   0.544  -5.657 -10.499
  256    HA   ASN  61           HA       ASN  61   1.942  -3.980  -8.677
  257   1HB   ASN  61          1HB       ASN  61   2.197  -3.910 -11.170
  258   2HB   ASN  61          2HB       ASN  61   0.609  -3.159 -11.263
  259   1HD2  ASN  61          1HD2      ASN  61   3.448  -2.292 -11.872
  260   2HD2  ASN  61          2HD2      ASN  61   3.578  -0.746 -11.106
  261    H    PHE  62           H        PHE  62   0.966  -3.314  -6.929
  262    HA   PHE  62           HA       PHE  62  -1.716  -2.815  -6.462
  263   1HB   PHE  62          1HB       PHE  62  -0.051  -2.993  -4.680
  264   2HB   PHE  62          2HB       PHE  62   0.701  -1.493  -5.207
  265    HD1  PHE  62           HD1      PHE  62   0.073   0.504  -4.232
  266    HD2  PHE  62           HD2      PHE  62  -2.535  -2.848  -3.954
  267    HE1  PHE  62           HE1      PHE  62  -1.382   1.766  -2.704
  268    HE2  PHE  62           HE2      PHE  62  -3.999  -1.588  -2.428
  269    HZ   PHE  62           HZ       PHE  62  -3.422   0.725  -1.801
  270    H    PHE  63           H        PHE  63   0.752  -0.712  -7.774
  271    HA   PHE  63           HA       PHE  63  -0.899   1.648  -7.569
  272   1HB   PHE  63          1HB       PHE  63   1.804   1.248  -8.871
  273   2HB   PHE  63          2HB       PHE  63   1.038   2.798  -8.538
  274    HD1  PHE  63           HD1      PHE  63   2.702  -0.113  -7.062
  275    HD2  PHE  63           HD2      PHE  63   0.998   3.713  -6.321
  276    HE1  PHE  63           HE1      PHE  63   3.757  -0.078  -4.840
  277    HE2  PHE  63           HE2      PHE  63   2.049   3.756  -4.099
  278    HZ   PHE  63           HZ       PHE  63   3.396   1.836  -3.338
  279    H    LYS  64           H        LYS  64  -1.844  -0.558  -9.238
  280    HA   LYS  64           HA       LYS  64  -2.638   1.016 -11.484
  281   1HB   LYS  64          1HB       LYS  64  -0.386   0.040 -12.141
  282   2HB   LYS  64          2HB       LYS  64  -1.176  -1.527 -12.121
  283   1HG   LYS  64          1HG       LYS  64  -1.010  -0.551 -14.377
  284   2HG   LYS  64          2HG       LYS  64  -2.673  -0.866 -13.877
  285   1HD   LYS  64          1HD       LYS  64  -2.527   1.297 -14.971
  286   2HD   LYS  64          2HD       LYS  64  -2.920   1.508 -13.266
  287   1HE   LYS  64          1HE       LYS  64  -1.286   3.151 -13.905
  288   2HE   LYS  64          2HE       LYS  64  -0.534   1.988 -12.818
  289   1HZ   LYS  64          1HZ       LYS  64   0.830   2.623 -14.786
  290   2HZ   LYS  64          2HZ       LYS  64  -0.305   1.839 -15.773
  291   3HZ   LYS  64          3HZ       LYS  64   0.575   0.956 -14.623
  292    H    ASP  65           H        ASP  65  -2.514  -2.205 -10.005
  293    HA   ASP  65           HA       ASP  65  -4.975  -3.022 -11.265
  294   1HB   ASP  65          1HB       ASP  65  -3.221  -4.683 -10.765
  295   2HB   ASP  65          2HB       ASP  65  -3.415  -4.371  -9.044
  296    H    VAL  66           H        VAL  66  -4.214  -3.090  -7.782
  297    HA   VAL  66           HA       VAL  66  -7.044  -2.701  -7.246
  298    HB   VAL  66           HB       VAL  66  -4.966  -2.914  -5.295
  299   1HG1  VAL  66          1HG1      VAL  66  -7.253  -2.400  -4.572
  300   2HG1  VAL  66          2HG1      VAL  66  -6.741  -4.006  -4.052
  301   3HG1  VAL  66          3HG1      VAL  66  -7.835  -3.830  -5.425
  302   1HG2  VAL  66          1HG2      VAL  66  -5.237  -5.343  -5.435
  303   2HG2  VAL  66          2HG2      VAL  66  -4.486  -4.660  -6.878
  304   3HG2  VAL  66          3HG2      VAL  66  -6.185  -5.136  -6.909
  305    H    ALA  67           H        ALA  67  -4.969  -0.521  -8.062
  306    HA   ALA  67           HA       ALA  67  -6.194   1.629  -6.733
  307   1HB   ALA  67          1HB       ALA  67  -4.383   2.446  -5.323
  308   2HB   ALA  67          2HB       ALA  67  -3.422   1.016  -5.704
  309   3HB   ALA  67          3HB       ALA  67  -4.919   0.853  -4.785
  310    HA   PRO  68           HA       PRO  68  -3.846   2.998 -10.397
  311   1HB   PRO  68          1HB       PRO  68  -6.206   4.579 -11.001
  312   2HB   PRO  68          2HB       PRO  68  -5.474   3.278 -11.942
  313   1HG   PRO  68          1HG       PRO  68  -7.883   3.034 -10.716
  314   2HG   PRO  68          2HG       PRO  68  -6.789   1.661 -10.978
  315   1HD   PRO  68          1HD       PRO  68  -7.226   3.292  -8.495
  316   2HD   PRO  68          2HD       PRO  68  -7.065   1.529  -8.671
  317    H    CYS  69           H        CYS  69  -5.488   4.664  -7.802
  318    HA   CYS  69           HA       CYS  69  -4.628   7.280  -8.630
  319   1HB   CYS  69          1HB       CYS  69  -5.597   8.128  -6.632
  320   2HB   CYS  69          2HB       CYS  69  -6.675   6.871  -7.218
  321    H    THR  70           H        THR  70  -3.060   4.695  -7.205
  322    HA   THR  70           HA       THR  70  -1.564   6.156  -5.202
  323    HB   THR  70           HB       THR  70  -0.350   4.129  -5.122
  324    HG1  THR  70           HG1      THR  70  -2.091   2.505  -6.107
  325   1HG2  THR  70          1HG2      THR  70  -3.320   4.135  -4.641
  326   2HG2  THR  70          2HG2      THR  70  -2.090   4.763  -3.545
  327   3HG2  THR  70          3HG2      THR  70  -2.158   3.037  -3.899
  328    H    ASP  71           H        ASP  71  -1.065   4.775  -8.422
  329    HA   ASP  71           HA       ASP  71   1.671   5.380  -8.687
  330   1HB   ASP  71          1HB       ASP  71   0.327   3.980 -10.276
  331   2HB   ASP  71          2HB       ASP  71  -0.427   5.461 -10.857
  332    H    SER  72           H        SER  72   2.262   7.374  -7.974
  333    HA   SER  72           HA       SER  72   2.014   9.660  -9.521
  334   1HB   SER  72          1HB       SER  72   0.459  11.013  -8.049
  335   2HB   SER  72          2HB       SER  72  -0.344   9.757  -8.990
  336    HG   SER  72           HG       SER  72  -0.703   8.606  -7.206
  337    HA   PRO  73           HA       PRO  73   5.240  11.031  -6.798
  338   1HB   PRO  73          1HB       PRO  73   3.791  13.628  -6.609
  339   2HB   PRO  73          2HB       PRO  73   5.478  13.309  -7.028
  340   1HG   PRO  73          1HG       PRO  73   3.721  13.949  -8.914
  341   2HG   PRO  73          2HG       PRO  73   4.961  12.716  -9.209
  342   1HD   PRO  73          1HD       PRO  73   2.048  12.381  -8.652
  343   2HD   PRO  73          2HD       PRO  73   3.107  11.446  -9.727
  344    H    GLU  74           H        GLU  74   1.916  11.803  -5.882
  345    HA   GLU  74           HA       GLU  74   2.301  12.362  -3.181
  346   1HB   GLU  74          1HB       GLU  74  -0.049  10.979  -4.484
  347   2HB   GLU  74          2HB       GLU  74  -0.052  11.671  -2.869
  348   1HG   GLU  74          1HG       GLU  74  -1.001  13.377  -3.980
  349   2HG   GLU  74          2HG       GLU  74   0.684  13.834  -4.203
  350    H    PHE  75           H        PHE  75   1.331   9.253  -4.619
  351    HA   PHE  75           HA       PHE  75   1.999   7.932  -2.093
  352   1HB   PHE  75          1HB       PHE  75   0.726   6.658  -4.514
  353   2HB   PHE  75          2HB       PHE  75   0.740   6.056  -2.862
  354    HD1  PHE  75           HD1      PHE  75  -0.951   8.108  -5.276
  355    HD2  PHE  75           HD2      PHE  75  -0.592   7.267  -1.116
  356    HE1  PHE  75           HE1      PHE  75  -3.110   9.219  -4.862
  357    HE2  PHE  75           HE2      PHE  75  -2.754   8.366  -0.701
  358    HZ   PHE  75           HZ       PHE  75  -4.014   9.345  -2.578
  359    H    TYR  76           H        TYR  76   2.398   7.014  -5.523
  360    HA   TYR  76           HA       TYR  76   4.430   5.135  -4.995
  361   1HB   TYR  76          1HB       TYR  76   2.965   5.165  -7.029
  362   2HB   TYR  76          2HB       TYR  76   3.905   6.526  -7.629
  363    HD1  TYR  76           HD1      TYR  76   5.793   6.137  -8.922
  364    HD2  TYR  76           HD2      TYR  76   4.290   2.987  -6.490
  365    HE1  TYR  76           HE1      TYR  76   7.408   4.590  -9.943
  366    HE2  TYR  76           HE2      TYR  76   5.906   1.433  -7.503
  367    HH   TYR  76           HH       TYR  76   8.526   2.459  -9.403
  368    H    GLY  77           H        GLY  77   4.526   8.554  -5.705
  369   1HA   GLY  77          1HA       GLY  77   7.243   8.812  -6.365
  370   2HA   GLY  77          2HA       GLY  77   6.248  10.072  -5.648
  371    H    LYS  78           H        LYS  78   5.625   8.842  -3.213
  372    HA   LYS  78           HA       LYS  78   8.098   9.218  -1.783
  373   1HB   LYS  78          1HB       LYS  78   5.342   8.442  -0.802
  374   2HB   LYS  78          2HB       LYS  78   6.709   8.832   0.237
  375   1HG   LYS  78          1HG       LYS  78   5.398  10.698  -1.733
  376   2HG   LYS  78          2HG       LYS  78   5.191  10.720   0.021
  377   1HD   LYS  78          1HD       LYS  78   7.429  11.372   0.379
  378   2HD   LYS  78          2HD       LYS  78   7.887  10.989  -1.282
  379   1HE   LYS  78          1HE       LYS  78   6.500  12.823  -2.095
  380   2HE   LYS  78          2HE       LYS  78   6.006  13.191  -0.441
  381   1HZ   LYS  78          1HZ       LYS  78   7.838  14.600  -1.380
  382   2HZ   LYS  78          2HZ       LYS  78   8.839  13.228  -1.317
  383   3HZ   LYS  78          3HZ       LYS  78   8.178  13.866   0.111
  384    H    PHE  79           H        PHE  79   6.091   6.586  -2.801
  385    HA   PHE  79           HA       PHE  79   7.110   4.473  -1.300
  386   1HB   PHE  79          1HB       PHE  79   5.138   4.292  -2.739
  387   2HB   PHE  79          2HB       PHE  79   6.140   4.519  -4.165
  388    HD1  PHE  79           HD1      PHE  79   5.306   2.208  -1.421
  389    HD2  PHE  79           HD2      PHE  79   7.331   2.714  -5.126
  390    HE1  PHE  79           HE1      PHE  79   5.626  -0.225  -1.576
  391    HE2  PHE  79           HE2      PHE  79   7.647   0.286  -5.290
  392    HZ   PHE  79           HZ       PHE  79   6.731  -1.189  -3.519
  393    H    LYS  80           H        LYS  80   8.313   5.974  -4.238
  394    HA   LYS  80           HA       LYS  80  10.596   4.149  -4.291
  395   1HB   LYS  80          1HB       LYS  80   9.800   6.315  -6.247
  396   2HB   LYS  80          2HB       LYS  80  11.103   5.153  -6.470
  397   1HG   LYS  80          1HG       LYS  80   8.164   4.532  -6.269
  398   2HG   LYS  80          2HG       LYS  80   9.161   4.473  -7.727
  399   1HD   LYS  80          1HD       LYS  80   9.770   2.825  -5.281
  400   2HD   LYS  80          2HD       LYS  80   8.688   2.258  -6.562
  401   1HE   LYS  80          1HE       LYS  80  11.558   3.104  -6.955
  402   2HE   LYS  80          2HE       LYS  80  11.010   1.437  -6.803
  403   1HZ   LYS  80          1HZ       LYS  80  10.292   3.348  -8.965
  404   2HZ   LYS  80          2HZ       LYS  80   9.619   1.802  -8.794
  405   3HZ   LYS  80          3HZ       LYS  80  11.276   1.973  -9.104
  406    H    GLU  81           H        GLU  81   9.780   7.108  -2.980
  407    HA   GLU  81           HA       GLU  81  12.139   8.595  -3.564
  408   1HB   GLU  81          1HB       GLU  81   9.938   9.587  -2.857
  409   2HB   GLU  81          2HB       GLU  81  10.264   9.010  -1.229
  410   1HG   GLU  81          1HG       GLU  81  12.230  10.411  -1.094
  411   2HG   GLU  81          2HG       GLU  81  11.999  10.927  -2.764
  412    H    GLY  82           H        GLY  82  11.094   6.632  -0.812
  413   1HA   GLY  82          1HA       GLY  82  13.383   7.121   0.789
  414   2HA   GLY  82          2HA       GLY  82  12.276   5.764   0.964
  415    H    VAL  83           H        VAL  83  12.581   4.559  -1.515
  416    HA   VAL  83           HA       VAL  83  14.819   2.921  -1.084
  417    HB   VAL  83           HB       VAL  83  13.501   3.396  -3.588
  418   1HG1  VAL  83          1HG1      VAL  83  14.915   1.047  -2.333
  419   2HG1  VAL  83          2HG1      VAL  83  15.483   2.011  -3.697
  420   3HG1  VAL  83          3HG1      VAL  83  14.041   1.006  -3.864
  421   1HG2  VAL  83          1HG2      VAL  83  11.935   1.661  -2.853
  422   2HG2  VAL  83          2HG2      VAL  83  11.802   3.141  -1.903
  423   3HG2  VAL  83          3HG2      VAL  83  12.634   1.737  -1.236
  424    H    ALA  84           H        ALA  84  14.261   5.484  -3.490
  425    HA   ALA  84           HA       ALA  84  16.824   5.229  -4.701
  426   1HB   ALA  84          1HB       ALA  84  14.878   7.526  -4.851
  427   2HB   ALA  84          2HB       ALA  84  14.868   6.101  -5.890
  428   3HB   ALA  84          3HB       ALA  84  16.228   7.222  -5.945
  429    H    SER  85           H        SER  85  16.006   6.455  -1.722
  430    HA   SER  85           HA       SER  85  18.150   8.449  -1.772
  431   1HB   SER  85          1HB       SER  85  16.056   7.887   0.340
  432   2HB   SER  85          2HB       SER  85  17.289   9.145   0.450
  433    HG   SER  85           HG       SER  85  15.065   8.957  -1.282
  434    H    GLY  86           H        GLY  86  17.032   6.164   0.738
  435   1HA   GLY  86          1HA       GLY  86  19.510   4.732   0.768
  436   2HA   GLY  86          2HA       GLY  86  19.412   5.891   2.085
  437    H    ASN  87           H        ASN  87  17.196   5.819   3.214
  438    HA   ASN  87           HA       ASN  87  16.580   2.999   3.792
  439   1HB   ASN  87          1HB       ASN  87  16.345   5.442   5.563
  440   2HB   ASN  87          2HB       ASN  87  15.834   3.819   6.020
  441   1HD2  ASN  87          1HD2      ASN  87  18.553   5.897   5.362
  442   2HD2  ASN  87          2HD2      ASN  87  19.754   4.874   6.074
  443    H    LEU  88           H        LEU  88  14.462   2.340   3.803
  444    HA   LEU  88           HA       LEU  88  12.556   4.278   2.705
  445   1HB   LEU  88          1HB       LEU  88  13.152   2.284   1.311
  446   2HB   LEU  88          2HB       LEU  88  12.462   1.263   2.551
  447    HG   LEU  88           HG       LEU  88  11.046   1.742   0.478
  448   1HD1  LEU  88          1HD1      LEU  88  10.137   0.718   2.490
  449   2HD1  LEU  88          2HD1      LEU  88   8.973   1.815   1.747
  450   3HD1  LEU  88          3HD1      LEU  88   9.861   2.315   3.185
  451   1HD2  LEU  88          1HD2      LEU  88   9.733   3.796   0.520
  452   2HD2  LEU  88          2HD2      LEU  88  11.453   4.137   0.342
  453   3HD2  LEU  88          3HD2      LEU  88  10.664   4.369   1.903
  454    H    ASN  89           H        ASN  89  11.523   5.129   4.395
  455    HA   ASN  89           HA       ASN  89   9.540   3.604   5.669
  456   1HB   ASN  89          1HB       ASN  89  10.222   3.646   7.982
  457   2HB   ASN  89          2HB       ASN  89  11.453   2.815   7.055
  458   1HD2  ASN  89          1HD2      ASN  89  13.479   3.701   6.871
  459   2HD2  ASN  89          2HD2      ASN  89  14.003   5.047   7.833
  460    H    THR  90           H        THR  90   7.944   4.931   5.690
  461    HA   THR  90           HA       THR  90   8.246   7.635   6.712
  462    HB   THR  90           HB       THR  90   7.045   7.081   4.157
  463    HG1  THR  90           HG1      THR  90   9.652   7.463   4.916
  464   1HG2  THR  90          1HG2      THR  90   7.126   9.520   3.971
  465   2HG2  THR  90          2HG2      THR  90   7.728   9.618   5.626
  466   3HG2  THR  90          3HG2      THR  90   6.107   8.996   5.312
  467    H    MET  91           H        MET  91   6.383   8.375   7.653
  468    HA   MET  91           HA       MET  91   3.947   6.764   7.250
  469   1HB   MET  91          1HB       MET  91   3.290   7.388   9.566
  470   2HB   MET  91          2HB       MET  91   4.745   6.407   9.503
  471   1HG   MET  91          1HG       MET  91   6.094   8.461   9.776
  472   2HG   MET  91          2HG       MET  91   4.601   9.382   9.947
  473   1HE   MET  91          1HE       MET  91   3.110   7.799  13.240
  474   2HE   MET  91          2HE       MET  91   2.814   7.258  11.587
  475   3HE   MET  91          3HE       MET  91   2.856   8.983  11.958
  476    H    PHE  92           H        PHE  92   2.322   7.836   6.330
  477    HA   PHE  92           HA       PHE  92   2.248  10.754   6.541
  478   1HB   PHE  92          1HB       PHE  92   1.840  10.762   3.984
  479   2HB   PHE  92          2HB       PHE  92   3.493  10.624   4.574
  480    HD1  PHE  92           HD1      PHE  92   0.623   8.517   3.449
  481    HD2  PHE  92           HD2      PHE  92   4.845   8.928   3.780
  482    HE1  PHE  92           HE1      PHE  92   0.924   6.461   2.132
  483    HE2  PHE  92           HE2      PHE  92   5.152   6.873   2.466
  484    HZ   PHE  92           HZ       PHE  92   3.190   5.635   1.640
  485    H    GLU  93           H        GLU  93   0.274  11.723   5.837
  486    HA   GLU  93           HA       GLU  93  -2.011   9.885   5.995
  487   1HB   GLU  93          1HB       GLU  93  -1.775  12.846   6.541
  488   2HB   GLU  93          2HB       GLU  93  -3.320  12.019   6.433
  489   1HG   GLU  93          1HG       GLU  93  -2.814  12.227   8.720
  490   2HG   GLU  93          2HG       GLU  93  -2.546  10.537   8.301
  491    H    TYR  94           H        TYR  94  -3.068   9.459   4.185
  492    HA   TYR  94           HA       TYR  94  -3.346  11.524   2.135
  493   1HB   TYR  94          1HB       TYR  94  -2.011   8.872   1.740
  494   2HB   TYR  94          2HB       TYR  94  -2.951   9.564   0.425
  495    HD1  TYR  94           HD1      TYR  94   0.186   9.579   2.146
  496    HD2  TYR  94           HD2      TYR  94  -2.303  11.878  -0.423
  497    HE1  TYR  94           HE1      TYR  94   2.135  10.915   1.466
  498    HE2  TYR  94           HE2      TYR  94  -0.360  13.221  -1.112
  499    HH   TYR  94           HH       TYR  94   2.815  12.289  -0.505
  500    H    THR  95           H        THR  95  -4.960  10.822   0.450
  501    HA   THR  95           HA       THR  95  -7.103   9.327   1.791
  502    HB   THR  95           HB       THR  95  -7.263  11.150  -0.427
  503    HG1  THR  95           HG1      THR  95  -6.505  11.683   2.001
  504   1HG2  THR  95          1HG2      THR  95  -9.589  11.281   0.256
  505   2HG2  THR  95          2HG2      THR  95  -9.296  10.109   1.541
  506   3HG2  THR  95          3HG2      THR  95  -9.162   9.617  -0.147
  507    H    PHE  96           H        PHE  96  -8.158   7.689   0.722
  508    HA   PHE  96           HA       PHE  96  -7.098   6.898  -1.917
  509   1HB   PHE  96          1HB       PHE  96  -8.293   5.249   0.316
  510   2HB   PHE  96          2HB       PHE  96  -8.027   4.623  -1.309
  511    HD1  PHE  96           HD1      PHE  96  -5.498   5.390  -2.157
  512    HD2  PHE  96           HD2      PHE  96  -6.732   4.516   1.820
  513    HE1  PHE  96           HE1      PHE  96  -3.180   4.816  -1.568
  514    HE2  PHE  96           HE2      PHE  96  -4.415   3.944   2.415
  515    HZ   PHE  96           HZ       PHE  96  -2.634   4.092   0.722
  516    H    ASP  97           H        ASP  97  -8.420   7.656  -3.420
  517    HA   ASP  97           HA       ASP  97 -11.302   7.211  -3.080
  518   1HB   ASP  97          1HB       ASP  97 -11.095   9.533  -2.704
  519   2HB   ASP  97          2HB       ASP  97  -9.901   9.717  -3.984
  520    H    TYR  98           H        TYR  98 -11.827   5.732  -4.489
  521    HA   TYR  98           HA       TYR  98 -11.779   6.191  -7.254
  522   1HB   TYR  98          1HB       TYR  98  -9.363   5.610  -7.001
  523   2HB   TYR  98          2HB       TYR  98  -9.838   4.037  -6.372
  524    HD1  TYR  98           HD1      TYR  98 -10.248   2.254  -7.830
  525    HD2  TYR  98           HD2      TYR  98 -10.116   6.219  -9.365
  526    HE1  TYR  98           HE1      TYR  98 -10.331   1.362 -10.122
  527    HE2  TYR  98           HE2      TYR  98 -10.191   5.337 -11.661
  528    HH   TYR  98           HH       TYR  98  -9.516   3.091 -12.794
  529    H    GLN  99           H        GLN  99 -11.209   3.101  -5.647
  530    HA   GLN  99           HA       GLN  99 -13.938   2.305  -6.341
  531   1HB   GLN  99          1HB       GLN  99 -13.126  -0.024  -5.812
  532   2HB   GLN  99          2HB       GLN  99 -12.382   0.739  -7.207
  533   1HG   GLN  99          1HG       GLN  99 -10.436   1.324  -5.743
  534   2HG   GLN  99          2HG       GLN  99 -11.179   0.341  -4.480
  535   1HE2  GLN  99          1HE2      GLN  99  -9.645   0.341  -7.584
  536   2HE2  GLN  99          2HE2      GLN  99  -9.310  -1.349  -7.653
  537    H    MET 100           H        MET 100 -11.680   2.514  -3.639
  538    HA   MET 100           HA       MET 100 -13.806   2.188  -1.707
  539   1HB   MET 100          1HB       MET 100 -11.438   1.676  -1.105
  540   2HB   MET 100          2HB       MET 100 -11.040   3.375  -1.348
  541   1HG   MET 100          1HG       MET 100 -12.582   3.990   0.449
  542   2HG   MET 100          2HG       MET 100 -12.951   2.289   0.710
  543   1HE   MET 100          1HE       MET 100 -11.299   0.548   1.740
  544   2HE   MET 100          2HE       MET 100  -9.602   0.879   2.084
  545   3HE   MET 100          3HE       MET 100 -10.174   0.858   0.417
  546    H    THR 101           H        THR 101 -15.059   3.827  -0.877
  547    HA   THR 101           HA       THR 101 -15.093   6.346  -2.143
  548    HB   THR 101           HB       THR 101 -16.294   6.972  -0.144
  549    HG1  THR 101           HG1      THR 101 -16.057   5.480   1.375
  550   1HG2  THR 101          1HG2      THR 101 -18.245   5.806  -1.011
  551   2HG2  THR 101          2HG2      THR 101 -17.198   4.730  -1.938
  552   3HG2  THR 101          3HG2      THR 101 -17.255   6.450  -2.320
  553    HA   PRO 102           HA       PRO 102 -11.898   8.738  -0.617
  554   1HB   PRO 102          1HB       PRO 102 -13.840  10.634   0.621
  555   2HB   PRO 102          2HB       PRO 102 -12.488  10.959  -0.468
  556   1HG   PRO 102          1HG       PRO 102 -14.970  10.975  -1.386
  557   2HG   PRO 102          2HG       PRO 102 -13.661  10.255  -2.343
  558   1HD   PRO 102          1HD       PRO 102 -15.809   8.920  -0.761
  559   2HD   PRO 102          2HD       PRO 102 -15.052   8.429  -2.287
  560    H    THR 103           H        THR 103 -11.311   7.092   0.958
  561    HA   THR 103           HA       THR 103 -11.812   7.958   3.722
  562    HB   THR 103           HB       THR 103 -10.394   5.662   2.731
  563    HG1  THR 103           HG1      THR 103 -12.689   5.858   2.112
  564   1HG2  THR 103          1HG2      THR 103 -10.882   4.835   4.988
  565   2HG2  THR 103          2HG2      THR 103 -11.558   6.409   5.408
  566   3HG2  THR 103          3HG2      THR 103  -9.844   6.260   5.015
  567    H    LYS 104           H        LYS 104 -10.265   8.952   4.882
  568    HA   LYS 104           HA       LYS 104  -7.629   9.231   3.629
  569   1HB   LYS 104          1HB       LYS 104  -7.333  11.208   5.077
  570   2HB   LYS 104          2HB       LYS 104  -8.726  11.359   4.019
  571   1HG   LYS 104          1HG       LYS 104 -10.194  10.751   5.891
  572   2HG   LYS 104          2HG       LYS 104  -8.781  10.663   6.945
  573   1HD   LYS 104          1HD       LYS 104  -8.294  13.028   6.436
  574   2HD   LYS 104          2HD       LYS 104  -9.767  13.100   5.466
  575   1HE   LYS 104          1HE       LYS 104 -10.219  14.019   7.640
  576   2HE   LYS 104          2HE       LYS 104 -11.066  12.481   7.481
  577   1HZ   LYS 104          1HZ       LYS 104  -9.980  12.719   9.640
  578   2HZ   LYS 104          2HZ       LYS 104  -8.476  12.875   8.880
  579   3HZ   LYS 104          3HZ       LYS 104  -9.330  11.417   8.771
  580    H    VAL 105           H        VAL 105  -5.912   8.336   4.529
  581    HA   VAL 105           HA       VAL 105  -6.208   7.201   7.222
  582    HB   VAL 105           HB       VAL 105  -5.051   5.327   6.442
  583   1HG1  VAL 105          1HG1      VAL 105  -7.429   5.316   6.933
  584   2HG1  VAL 105          2HG1      VAL 105  -7.099   4.334   5.505
  585   3HG1  VAL 105          3HG1      VAL 105  -7.782   5.950   5.326
  586   1HG2  VAL 105          1HG2      VAL 105  -5.784   6.460   3.757
  587   2HG2  VAL 105          2HG2      VAL 105  -5.192   4.826   4.062
  588   3HG2  VAL 105          3HG2      VAL 105  -4.152   6.214   4.379
  589    H    LYS 106           H        LYS 106  -4.190   6.397   8.114
  590    HA   LYS 106           HA       LYS 106  -1.872   7.996   7.283
  591   1HB   LYS 106          1HB       LYS 106  -2.601   8.311   9.616
  592   2HB   LYS 106          2HB       LYS 106  -2.456   6.582   9.899
  593   1HG   LYS 106          1HG       LYS 106  -0.012   6.799   9.357
  594   2HG   LYS 106          2HG       LYS 106  -0.244   8.548   9.361
  595   1HD   LYS 106          1HD       LYS 106  -0.757   6.670  11.667
  596   2HD   LYS 106          2HD       LYS 106   0.595   7.793  11.515
  597   1HE   LYS 106          1HE       LYS 106  -2.303   8.617  11.582
  598   2HE   LYS 106          2HE       LYS 106  -1.246   8.598  12.990
  599   1HZ   LYS 106          1HZ       LYS 106  -0.737  10.192  10.533
  600   2HZ   LYS 106          2HZ       LYS 106   0.150  10.243  11.977
  601   3HZ   LYS 106          3HZ       LYS 106  -1.451  10.803  11.949
  602    H    VAL 107           H        VAL 107  -0.500   6.887   6.037
  603    HA   VAL 107           HA       VAL 107  -0.543   3.959   6.244
  604    HB   VAL 107           HB       VAL 107   0.362   5.707   4.150
  605   1HG1  VAL 107          1HG1      VAL 107   0.427   3.623   2.853
  606   2HG1  VAL 107          2HG1      VAL 107   0.037   2.710   4.310
  607   3HG1  VAL 107          3HG1      VAL 107   1.565   3.583   4.199
  608   1HG2  VAL 107          1HG2      VAL 107  -2.035   5.826   4.474
  609   2HG2  VAL 107          2HG2      VAL 107  -2.135   4.064   4.439
  610   3HG2  VAL 107          3HG2      VAL 107  -1.633   4.949   2.998
  611    H    HIS 108           H        HIS 108   1.212   2.952   6.944
  612    HA   HIS 108           HA       HIS 108   3.671   4.537   7.201
  613   1HB   HIS 108          1HB       HIS 108   2.759   3.597   9.307
  614   2HB   HIS 108          2HB       HIS 108   2.909   1.977   8.634
  615    HD1  HIS 108           HD1      HIS 108   4.642   1.096  10.248
  616    HD2  HIS 108           HD2      HIS 108   5.796   4.650   8.409
  617    HE1  HIS 108           HE1      HIS 108   7.076   1.409  10.824
  618    HE2  HIS 108           HE2      HIS 108   7.708   3.637   9.836
  619    H    MET 109           H        MET 109   4.997   4.252   5.662
  620    HA   MET 109           HA       MET 109   5.194   1.704   4.208
  621   1HB   MET 109          1HB       MET 109   4.861   3.721   2.888
  622   2HB   MET 109          2HB       MET 109   6.219   4.509   3.671
  623   1HG   MET 109          1HG       MET 109   7.102   3.916   1.639
  624   2HG   MET 109          2HG       MET 109   7.590   2.557   2.653
  625   1HE   MET 109          1HE       MET 109   3.934   2.410  -0.142
  626   2HE   MET 109          2HE       MET 109   4.950   3.843   0.034
  627   3HE   MET 109          3HE       MET 109   3.974   3.281   1.391
  628    H    LYS 110           H        LYS 110   6.901   0.351   4.685
  629    HA   LYS 110           HA       LYS 110   9.398   1.545   5.591
  630   1HB   LYS 110          1HB       LYS 110   9.563   0.336   7.659
  631   2HB   LYS 110          2HB       LYS 110   8.072   1.268   7.675
  632   1HG   LYS 110          1HG       LYS 110   6.779  -0.706   7.203
  633   2HG   LYS 110          2HG       LYS 110   8.251  -1.661   7.021
  634   1HD   LYS 110          1HD       LYS 110   8.814  -1.144   9.377
  635   2HD   LYS 110          2HD       LYS 110   7.256  -0.329   9.531
  636   1HE   LYS 110          1HE       LYS 110   6.089  -2.387   9.047
  637   2HE   LYS 110          2HE       LYS 110   7.613  -3.218   8.743
  638   1HZ   LYS 110          1HZ       LYS 110   8.220  -2.840  11.060
  639   2HZ   LYS 110          2HZ       LYS 110   6.786  -3.736  10.930
  640   3HZ   LYS 110          3HZ       LYS 110   6.723  -2.091  11.342
  641    H    LYS 111           H        LYS 111  11.181   0.199   5.426
  642    HA   LYS 111           HA       LYS 111  10.833  -1.897   3.443
  643   1HB   LYS 111          1HB       LYS 111  12.576   0.041   3.478
  644   2HB   LYS 111          2HB       LYS 111  13.450  -0.971   4.614
  645   1HG   LYS 111          1HG       LYS 111  13.599  -2.735   2.935
  646   2HG   LYS 111          2HG       LYS 111  12.700  -1.722   1.800
  647   1HD   LYS 111          1HD       LYS 111  14.489   0.003   2.033
  648   2HD   LYS 111          2HD       LYS 111  15.410  -1.152   2.994
  649   1HE   LYS 111          1HE       LYS 111  14.467  -1.682   0.184
  650   2HE   LYS 111          2HE       LYS 111  16.052  -1.021   0.576
  651   1HZ   LYS 111          1HZ       LYS 111  16.073  -3.433   0.220
  652   2HZ   LYS 111          2HZ       LYS 111  15.026  -3.641   1.534
  653   3HZ   LYS 111          3HZ       LYS 111  16.583  -3.014   1.782
  654    H    ALA 112           H        ALA 112  11.297  -4.055   3.754
  655    HA   ALA 112           HA       ALA 112  12.615  -4.925   6.188
  656   1HB   ALA 112          1HB       ALA 112  10.832  -6.451   6.847
  657   2HB   ALA 112          2HB       ALA 112   9.817  -5.853   5.535
  658   3HB   ALA 112          3HB       ALA 112  10.260  -4.783   6.864
  659    H    LEU 113           H        LEU 113  12.223  -7.594   6.057
  660    HA   LEU 113           HA       LEU 113  13.271  -8.247   3.392
  661   1HB   LEU 113          1HB       LEU 113  14.513 -10.083   4.454
  662   2HB   LEU 113          2HB       LEU 113  14.964  -8.521   5.100
  663    HG   LEU 113           HG       LEU 113  12.897 -10.041   6.601
  664   1HD1  LEU 113          1HD1      LEU 113  15.826 -10.764   6.591
  665   2HD1  LEU 113          2HD1      LEU 113  14.494 -11.790   6.059
  666   3HD1  LEU 113          3HD1      LEU 113  14.635 -11.339   7.758
  667   1HD2  LEU 113          1HD2      LEU 113  13.664  -7.824   7.339
  668   2HD2  LEU 113          2HD2      LEU 113  15.316  -8.428   7.419
  669   3HD2  LEU 113          3HD2      LEU 113  14.087  -9.077   8.502
  670    H    SER 114           H        SER 114  13.168 -10.980   3.507
  671    HA   SER 114           HA       SER 114  11.854 -12.810   3.271
  672   1HB   SER 114          1HB       SER 114   9.641 -11.279   4.661
  673   2HB   SER 114          2HB       SER 114   9.724 -13.024   4.402
  674    HG   SER 114           HG       SER 114  10.433 -11.996   6.533
  675    H    GLY 115           H        GLY 115  12.151 -12.057   1.054
  676   1HA   GLY 115          1HA       GLY 115  10.858 -12.257  -0.976
  677   2HA   GLY 115          2HA       GLY 115   9.552 -11.395  -0.170
  678    H    ASP 116           H        ASP 116  12.058  -9.817   0.906
  679    HA   ASP 116           HA       ASP 116  12.903  -7.750   0.585
  680   1HB   ASP 116          1HB       ASP 116  13.168  -8.723  -2.263
  681   2HB   ASP 116          2HB       ASP 116  13.973  -7.306  -1.593
  682    H    SER 117           H        SER 117  10.951  -6.765   1.093
  683    HA   SER 117           HA       SER 117   9.895  -5.078  -0.941
  684   1HB   SER 117          1HB       SER 117   7.487  -5.834  -0.209
  685   2HB   SER 117          2HB       SER 117   8.345  -6.758  -1.449
  686    HG   SER 117           HG       SER 117   8.519  -8.388  -0.104
  687    H    TYR 118           H        TYR 118   7.679  -4.069   0.449
  688    HA   TYR 118           HA       TYR 118   8.965  -3.128   2.917
  689   1HB   TYR 118          1HB       TYR 118   7.039  -1.485   1.282
  690   2HB   TYR 118          2HB       TYR 118   8.243  -0.939   2.448
  691    HD1  TYR 118           HD1      TYR 118   7.490  -1.193  -0.944
  692    HD2  TYR 118           HD2      TYR 118  10.745  -1.534   1.763
  693    HE1  TYR 118           HE1      TYR 118   9.069  -0.832  -2.802
  694    HE2  TYR 118           HE2      TYR 118  12.332  -1.165  -0.077
  695    HH   TYR 118           HH       TYR 118  11.400  -0.027  -3.109
  696    H    TRP 119           H        TRP 119   7.504  -2.658   4.611
  697    HA   TRP 119           HA       TRP 119   4.983  -4.116   4.374
  698   1HB   TRP 119          1HB       TRP 119   6.809  -3.498   6.655
  699   2HB   TRP 119          2HB       TRP 119   5.093  -3.732   6.982
  700    HD1  TRP 119           HD1      TRP 119   8.241  -5.641   6.470
  701    HE1  TRP 119           HE1      TRP 119   7.741  -8.163   6.366
  702    HE3  TRP 119           HE3      TRP 119   3.160  -5.432   6.005
  703    HZ2  TRP 119           HZ2      TRP 119   5.479  -9.840   6.109
  704    HZ3  TRP 119           HZ3      TRP 119   1.901  -7.534   5.833
  705    HH2  TRP 119           HH2      TRP 119   3.038  -9.695   5.884
  706    H    VAL 120           H        VAL 120   3.478  -2.861   3.702
  707    HA   VAL 120           HA       VAL 120   3.338  -0.101   4.679
  708    HB   VAL 120           HB       VAL 120   2.302  -1.582   2.459
  709   1HG1  VAL 120          1HG1      VAL 120   1.584   1.225   3.363
  710   2HG1  VAL 120          2HG1      VAL 120   0.469  -0.137   3.249
  711   3HG1  VAL 120          3HG1      VAL 120   1.197   0.530   1.788
  712   1HG2  VAL 120          1HG2      VAL 120   4.047   0.825   2.798
  713   2HG2  VAL 120          2HG2      VAL 120   3.542   0.115   1.264
  714   3HG2  VAL 120          3HG2      VAL 120   4.569  -0.802   2.367
  715    H    PHE 121           H        PHE 121   2.248  -0.005   6.503
  716    HA   PHE 121           HA       PHE 121  -0.232  -1.552   6.839
  717   1HB   PHE 121          1HB       PHE 121   1.506  -0.161   8.891
  718   2HB   PHE 121          2HB       PHE 121   0.004  -0.998   9.257
  719    HD1  PHE 121           HD1      PHE 121   3.528  -1.348   8.468
  720    HD2  PHE 121           HD2      PHE 121  -0.120  -3.441   9.105
  721    HE1  PHE 121           HE1      PHE 121   4.782  -3.445   8.731
  722    HE2  PHE 121           HE2      PHE 121   1.131  -5.543   9.376
  723    HZ   PHE 121           HZ       PHE 121   3.573  -5.545   9.249
  724    H    VAL 122           H        VAL 122  -2.159  -0.538   7.075
  725    HA   VAL 122           HA       VAL 122  -2.110   2.409   6.884
  726    HB   VAL 122           HB       VAL 122  -4.171   0.581   6.060
  727   1HG1  VAL 122          1HG1      VAL 122  -4.935   2.542   4.804
  728   2HG1  VAL 122          2HG1      VAL 122  -3.660   3.507   5.549
  729   3HG1  VAL 122          3HG1      VAL 122  -4.948   2.829   6.545
  730   1HG2  VAL 122          1HG2      VAL 122  -1.991   1.880   4.448
  731   2HG2  VAL 122          2HG2      VAL 122  -3.364   0.975   3.807
  732   3HG2  VAL 122          3HG2      VAL 122  -2.150   0.157   4.789
  733    H    LYS 123           H        LYS 123  -3.474   3.611   8.202
  734    HA   LYS 123           HA       LYS 123  -5.436   2.183   9.843
  735   1HB   LYS 123          1HB       LYS 123  -4.817   3.478  11.840
  736   2HB   LYS 123          2HB       LYS 123  -3.505   2.439  11.302
  737   1HG   LYS 123          1HG       LYS 123  -2.273   4.261  10.458
  738   2HG   LYS 123          2HG       LYS 123  -3.661   5.345  10.565
  739   1HD   LYS 123          1HD       LYS 123  -2.085   5.787  12.365
  740   2HD   LYS 123          2HD       LYS 123  -3.609   5.172  13.007
  741   1HE   LYS 123          1HE       LYS 123  -2.580   2.916  13.129
  742   2HE   LYS 123          2HE       LYS 123  -1.049   3.628  12.621
  743   1HZ   LYS 123          1HZ       LYS 123  -1.076   3.433  14.992
  744   2HZ   LYS 123          2HZ       LYS 123  -2.558   4.250  15.101
  745   3HZ   LYS 123          3HZ       LYS 123  -1.168   5.082  14.596
  746    H    ARG 124           H        ARG 124  -7.242   3.438  10.416
  747    HA   ARG 124           HA       ARG 124  -7.771   5.545   8.495
  748   1HB   ARG 124          1HB       ARG 124  -9.278   3.519   9.384
  749   2HB   ARG 124          2HB       ARG 124  -9.777   4.737  10.543
  750   1HG   ARG 124          1HG       ARG 124  -9.917   5.084   7.558
  751   2HG   ARG 124          2HG       ARG 124 -11.254   4.532   8.562
  752   1HD   ARG 124          1HD       ARG 124 -11.036   6.671   9.855
  753   2HD   ARG 124          2HD       ARG 124  -9.883   7.215   8.632
  754    HE   ARG 124           HE       ARG 124 -12.365   6.297   7.513
  755   1HH1  ARG 124          1HH1      ARG 124 -10.730   9.080   8.924
  756   2HH1  ARG 124          2HH1      ARG 124 -11.840  10.222   8.209
  757   1HH2  ARG 124          1HH2      ARG 124 -13.746   7.813   6.538
  758   2HH2  ARG 124          2HH2      ARG 124 -13.524   9.511   6.832
  759    H    VAL 125           H        VAL 125  -7.232   7.586   8.994
  760    HA   VAL 125           HA       VAL 125  -7.627   8.465  11.776
  761    HB   VAL 125           HB       VAL 125  -6.000  10.069  11.351
  762   1HG1  VAL 125          1HG1      VAL 125  -5.557   8.077  12.647
  763   2HG1  VAL 125          2HG1      VAL 125  -4.158   8.462  11.645
  764   3HG1  VAL 125          3HG1      VAL 125  -5.248   7.157  11.175
  765   1HG2  VAL 125          1HG2      VAL 125  -4.397   9.608   9.547
  766   2HG2  VAL 125          2HG2      VAL 125  -5.973  10.132   8.957
  767   3HG2  VAL 125          3HG2      VAL 125  -5.525   8.428   8.880
  768    H2   HC4 169           H2       HC4 169  -6.406   4.168  -3.266
  769    H3   HC4 169           H3       HC4 169  -7.817   2.550  -5.333
  770    H2'  HC4 169           H2'      HC4 169  -8.534   0.285  -4.423
  771    H3'  HC4 169           H3'      HC4 169  -9.142  -1.156  -2.529
  772    H5'  HC4 169           H5'      HC4 169  -7.033   1.466   0.078
  773    H6'  HC4 169           H6'      HC4 169  -6.669   3.021  -1.789
  Start of MODEL   13
    1    H    LEU  26           H        LEU  26 -11.944  -3.778  11.895
    2    HA   LEU  26           HA       LEU  26 -11.521  -6.071  12.264
    3   1HB   LEU  26          1HB       LEU  26 -10.267  -6.111   9.912
    4   2HB   LEU  26          2HB       LEU  26  -8.860  -5.896  10.919
    5    HG   LEU  26           HG       LEU  26  -9.137  -8.188  10.416
    6   1HD1  LEU  26          1HD1      LEU  26  -9.923  -7.654  13.271
    7   2HD1  LEU  26          2HD1      LEU  26  -8.280  -7.715  12.631
    8   3HD1  LEU  26          3HD1      LEU  26  -9.271  -9.174  12.661
    9   1HD2  LEU  26          1HD2      LEU  26 -11.496  -8.234   9.899
   10   2HD2  LEU  26          2HD2      LEU  26 -11.894  -7.951  11.594
   11   3HD2  LEU  26          3HD2      LEU  26 -11.124  -9.461  11.110
   12    H    ALA  27           H        ALA  27  -8.313  -4.559  11.906
   13    HA   ALA  27           HA       ALA  27  -8.390  -3.489  14.581
   14   1HB   ALA  27          1HB       ALA  27  -6.461  -5.727  13.962
   15   2HB   ALA  27          2HB       ALA  27  -7.871  -5.856  15.013
   16   3HB   ALA  27          3HB       ALA  27  -6.539  -4.790  15.455
   17    H    PHE  28           H        PHE  28  -6.256  -4.474  11.914
   18    HA   PHE  28           HA       PHE  28  -5.388  -1.732  11.582
   19   1HB   PHE  28          1HB       PHE  28  -2.992  -2.252  11.739
   20   2HB   PHE  28          2HB       PHE  28  -3.796  -2.567  13.271
   21    HD1  PHE  28           HD1      PHE  28  -1.950  -3.996  10.499
   22    HD2  PHE  28           HD2      PHE  28  -4.206  -4.888  13.995
   23    HE1  PHE  28           HE1      PHE  28  -1.038  -6.281  10.501
   24    HE2  PHE  28           HE2      PHE  28  -3.297  -7.172  14.003
   25    HZ   PHE  28           HZ       PHE  28  -1.694  -7.865  12.255
   26    H    GLY  29           H        GLY  29  -4.073  -1.486   9.596
   27   1HA   GLY  29          1HA       GLY  29  -4.786  -3.571   7.642
   28   2HA   GLY  29          2HA       GLY  29  -4.450  -1.887   7.255
   29    H    ALA  30           H        ALA  30  -3.250  -4.739   6.671
   30    HA   ALA  30           HA       ALA  30  -0.474  -3.820   6.830
   31   1HB   ALA  30          1HB       ALA  30  -0.770  -5.335   8.699
   32   2HB   ALA  30          2HB       ALA  30   0.272  -6.069   7.480
   33   3HB   ALA  30          3HB       ALA  30  -1.412  -6.575   7.622
   34    H    ILE  31           H        ILE  31  -0.097  -3.487   4.748
   35    HA   ILE  31           HA       ILE  31  -0.623  -5.702   2.872
   36    HB   ILE  31           HB       ILE  31  -0.036  -2.934   2.318
   37   1HG1  ILE  31          1HG1      ILE  31  -2.698  -4.341   2.424
   38   2HG1  ILE  31          2HG1      ILE  31  -2.130  -3.157   3.594
   39   1HG2  ILE  31          1HG2      ILE  31   0.492  -4.446   0.501
   40   2HG2  ILE  31          2HG2      ILE  31  -0.971  -3.537   0.122
   41   3HG2  ILE  31          3HG2      ILE  31  -1.088  -5.215   0.651
   42   1HD1  ILE  31          1HD1      ILE  31  -2.051  -1.463   1.836
   43   2HD1  ILE  31          2HD1      ILE  31  -3.666  -2.151   2.013
   44   3HD1  ILE  31          3HD1      ILE  31  -2.636  -2.652   0.672
   45    H    GLN  32           H        GLN  32   1.163  -6.107   1.309
   46    HA   GLN  32           HA       GLN  32   3.704  -4.872   2.101
   47   1HB   GLN  32          1HB       GLN  32   3.672  -7.127   3.027
   48   2HB   GLN  32          2HB       GLN  32   3.288  -7.792   1.442
   49   1HG   GLN  32          1HG       GLN  32   5.415  -7.086   0.577
   50   2HG   GLN  32          2HG       GLN  32   5.800  -6.278   2.096
   51   1HE2  GLN  32          1HE2      GLN  32   7.653  -7.498   2.327
   52   2HE2  GLN  32          2HE2      GLN  32   7.606  -9.159   2.792
   53    H    LEU  33           H        LEU  33   4.466  -3.738   0.455
   54    HA   LEU  33           HA       LEU  33   3.949  -4.709  -2.272
   55   1HB   LEU  33          1HB       LEU  33   4.749  -1.905  -1.556
   56   2HB   LEU  33          2HB       LEU  33   4.124  -2.476  -3.084
   57    HG   LEU  33           HG       LEU  33   2.593  -2.091  -0.517
   58   1HD1  LEU  33          1HD1      LEU  33   3.040  -0.057  -1.754
   59   2HD1  LEU  33          2HD1      LEU  33   1.329  -0.476  -1.827
   60   3HD1  LEU  33          3HD1      LEU  33   2.370  -0.784  -3.216
   61   1HD2  LEU  33          1HD2      LEU  33   0.613  -2.827  -1.740
   62   2HD2  LEU  33          2HD2      LEU  33   1.806  -4.123  -1.640
   63   3HD2  LEU  33          3HD2      LEU  33   1.612  -3.217  -3.140
   64    H    ASP  34           H        ASP  34   5.774  -4.209  -3.849
   65    HA   ASP  34           HA       ASP  34   8.372  -4.111  -2.448
   66   1HB   ASP  34          1HB       ASP  34   9.254  -5.795  -3.688
   67   2HB   ASP  34          2HB       ASP  34   7.573  -6.293  -3.802
   68    H    GLY  35           H        GLY  35  10.177  -3.377  -4.021
   69   1HA   GLY  35          1HA       GLY  35   9.724  -0.698  -4.593
   70   2HA   GLY  35          2HA       GLY  35  11.087  -1.627  -5.185
   71    H    ASP  36           H        ASP  36   9.171  -3.436  -6.679
   72    HA   ASP  36           HA       ASP  36   9.097  -1.908  -9.112
   73   1HB   ASP  36          1HB       ASP  36   8.487  -4.713  -8.328
   74   2HB   ASP  36          2HB       ASP  36   7.730  -4.100  -9.794
   75    H    GLY  37           H        GLY  37   6.944  -2.507  -6.534
   76   1HA   GLY  37          1HA       GLY  37   4.949  -1.183  -6.317
   77   2HA   GLY  37          2HA       GLY  37   4.756  -1.265  -8.063
   78    H    ASN  38           H        ASN  38   5.757  -4.244  -7.005
   79    HA   ASN  38           HA       ASN  38   3.153  -5.373  -7.516
   80   1HB   ASN  38          1HB       ASN  38   5.838  -6.593  -6.864
   81   2HB   ASN  38          2HB       ASN  38   4.374  -7.560  -7.007
   82   1HD2  ASN  38          1HD2      ASN  38   6.779  -7.666  -8.598
   83   2HD2  ASN  38          2HD2      ASN  38   6.280  -7.397 -10.229
   84    H    ILE  39           H        ILE  39   1.983  -6.695  -6.115
   85    HA   ILE  39           HA       ILE  39   2.421  -6.111  -3.288
   86    HB   ILE  39           HB       ILE  39   0.278  -7.608  -4.463
   87   1HG1  ILE  39          1HG1      ILE  39   0.592  -4.625  -4.139
   88   2HG1  ILE  39          2HG1      ILE  39   0.406  -5.512  -5.649
   89   1HG2  ILE  39          1HG2      ILE  39  -0.863  -6.785  -2.444
   90   2HG2  ILE  39          2HG2      ILE  39   0.629  -5.995  -1.935
   91   3HG2  ILE  39          3HG2      ILE  39   0.557  -7.754  -2.040
   92   1HD1  ILE  39          1HD1      ILE  39  -1.659  -4.406  -4.972
   93   2HD1  ILE  39          2HD1      ILE  39  -1.659  -5.334  -3.472
   94   3HD1  ILE  39          3HD1      ILE  39  -1.838  -6.160  -5.019
   95    H    LEU  40           H        LEU  40   2.654  -7.700  -1.762
   96    HA   LEU  40           HA       LEU  40   3.558 -10.316  -2.748
   97   1HB   LEU  40          1HB       LEU  40   3.921  -8.838  -0.146
   98   2HB   LEU  40          2HB       LEU  40   4.380 -10.513  -0.346
   99    HG   LEU  40           HG       LEU  40   6.276  -8.889  -0.494
  100   1HD1  LEU  40          1HD1      LEU  40   5.770 -10.576  -2.939
  101   2HD1  LEU  40          2HD1      LEU  40   6.498 -11.110  -1.422
  102   3HD1  LEU  40          3HD1      LEU  40   7.334  -9.935  -2.436
  103   1HD2  LEU  40          1HD2      LEU  40   6.576  -7.676  -2.635
  104   2HD2  LEU  40          2HD2      LEU  40   5.243  -7.060  -1.658
  105   3HD2  LEU  40          3HD2      LEU  40   4.910  -8.080  -3.058
  106    H    GLN  41           H        GLN  41   1.537  -8.773  -0.324
  107    HA   GLN  41           HA       GLN  41  -0.469 -10.758  -0.336
  108   1HB   GLN  41          1HB       GLN  41  -0.101 -11.575   2.000
  109   2HB   GLN  41          2HB       GLN  41   1.124 -12.111   0.860
  110   1HG   GLN  41          1HG       GLN  41   2.601 -10.296   1.659
  111   2HG   GLN  41          2HG       GLN  41   1.387  -9.893   2.871
  112   1HE2  GLN  41          1HE2      GLN  41   4.165 -10.830   3.120
  113   2HE2  GLN  41          2HE2      GLN  41   4.088 -12.261   4.093
  114    H    TYR  42           H        TYR  42  -2.156 -10.262   1.110
  115    HA   TYR  42           HA       TYR  42  -2.092  -7.533   2.210
  116   1HB   TYR  42          1HB       TYR  42  -4.333  -9.200   1.103
  117   2HB   TYR  42          2HB       TYR  42  -4.663  -7.900   2.230
  118    HD1  TYR  42           HD1      TYR  42  -6.106  -7.262   0.098
  119    HD2  TYR  42           HD2      TYR  42  -1.864  -7.055   0.318
  120    HE1  TYR  42           HE1      TYR  42  -6.079  -5.689  -1.795
  121    HE2  TYR  42           HE2      TYR  42  -1.823  -5.508  -1.558
  122    HH   TYR  42           HH       TYR  42  -3.294  -4.934  -3.509
  123    H    ASN  43           H        ASN  43  -3.783  -7.330   4.032
  124    HA   ASN  43           HA       ASN  43  -3.515  -9.591   5.896
  125   1HB   ASN  43          1HB       ASN  43  -2.624  -7.341   6.591
  126   2HB   ASN  43          2HB       ASN  43  -4.256  -6.701   6.468
  127   1HD2  ASN  43          1HD2      ASN  43  -2.120  -8.797   8.221
  128   2HD2  ASN  43          2HD2      ASN  43  -3.102  -8.936   9.665
  129    H    ALA  44           H        ALA  44  -5.591  -9.538   7.466
  130    HA   ALA  44           HA       ALA  44  -7.907 -10.029   5.899
  131   1HB   ALA  44          1HB       ALA  44  -7.646  -9.592   8.875
  132   2HB   ALA  44          2HB       ALA  44  -7.539 -11.141   8.039
  133   3HB   ALA  44          3HB       ALA  44  -9.060 -10.251   8.054
  134    H    ALA  45           H        ALA  45  -6.428  -7.230   6.921
  135    HA   ALA  45           HA       ALA  45  -8.434  -5.412   7.490
  136   1HB   ALA  45          1HB       ALA  45  -5.889  -4.995   5.936
  137   2HB   ALA  45          2HB       ALA  45  -6.072  -4.901   7.691
  138   3HB   ALA  45          3HB       ALA  45  -6.870  -3.716   6.655
  139    H    GLU  46           H        GLU  46  -6.932  -5.945   4.292
  140    HA   GLU  46           HA       GLU  46  -8.781  -4.336   2.896
  141   1HB   GLU  46          1HB       GLU  46  -6.780  -6.408   2.059
  142   2HB   GLU  46          2HB       GLU  46  -7.870  -5.695   0.880
  143   1HG   GLU  46          1HG       GLU  46  -5.647  -4.621   0.978
  144   2HG   GLU  46          2HG       GLU  46  -6.986  -3.515   1.270
  145    HE2  GLU  46           HE2      GLU  46  -6.376  -1.901   2.885
  146    H    GLY  47           H        GLY  47  -8.779  -7.722   3.736
  147   1HA   GLY  47          1HA       GLY  47 -11.027  -8.501   2.210
  148   2HA   GLY  47          2HA       GLY  47 -10.503  -9.257   3.709
  149    H    ASP  48           H        ASP  48 -10.797  -7.359   5.567
  150    HA   ASP  48           HA       ASP  48 -13.558  -7.280   6.112
  151   1HB   ASP  48          1HB       ASP  48 -11.930  -7.216   7.904
  152   2HB   ASP  48          2HB       ASP  48 -11.251  -5.713   7.293
  153    H    ILE  49           H        ILE  49 -11.346  -4.605   5.309
  154    HA   ILE  49           HA       ILE  49 -13.601  -2.974   4.413
  155    HB   ILE  49           HB       ILE  49 -10.817  -2.443   4.133
  156   1HG1  ILE  49          1HG1      ILE  49 -12.564  -2.042   6.546
  157   2HG1  ILE  49          2HG1      ILE  49 -11.132  -3.055   6.421
  158   1HG2  ILE  49          1HG2      ILE  49 -11.648  -0.125   4.271
  159   2HG2  ILE  49          2HG2      ILE  49 -13.294  -0.742   4.400
  160   3HG2  ILE  49          3HG2      ILE  49 -12.370  -1.004   2.922
  161   1HD1  ILE  49          1HD1      ILE  49 -11.188  -0.060   6.219
  162   2HD1  ILE  49          2HD1      ILE  49  -9.754  -1.076   6.079
  163   3HD1  ILE  49          3HD1      ILE  49 -10.639  -1.007   7.603
  164    H    THR  50           H        THR  50 -14.011  -4.667   2.868
  165    HA   THR  50           HA       THR  50 -12.525  -5.996   1.144
  166    HB   THR  50           HB       THR  50 -14.973  -4.729   0.383
  167    HG1  THR  50           HG1      THR  50 -14.249  -6.784   2.208
  168   1HG2  THR  50          1HG2      THR  50 -15.233  -6.760  -0.903
  169   2HG2  THR  50          2HG2      THR  50 -13.687  -7.366  -0.307
  170   3HG2  THR  50          3HG2      THR  50 -13.730  -5.955  -1.366
  171    H    GLY  51           H        GLY  51 -10.763  -4.807   0.489
  172   1HA   GLY  51          1HA       GLY  51 -11.232  -3.185  -1.923
  173   2HA   GLY  51          2HA       GLY  51  -9.696  -3.329  -1.071
  174    H    ARG  52           H        ARG  52  -9.072  -5.807  -0.859
  175    HA   ARG  52           HA       ARG  52  -9.680  -7.347  -3.251
  176   1HB   ARG  52          1HB       ARG  52  -6.873  -6.486  -2.533
  177   2HB   ARG  52          2HB       ARG  52  -7.257  -7.743  -3.698
  178   1HG   ARG  52          1HG       ARG  52  -8.127  -4.880  -3.959
  179   2HG   ARG  52          2HG       ARG  52  -6.685  -5.562  -4.709
  180   1HD   ARG  52          1HD       ARG  52  -8.209  -7.253  -5.803
  181   2HD   ARG  52          2HD       ARG  52  -9.562  -6.272  -5.236
  182    HE   ARG  52           HE       ARG  52  -7.553  -4.840  -6.739
  183   1HH1  ARG  52          1HH1      ARG  52 -10.588  -6.580  -6.867
  184   2HH1  ARG  52          2HH1      ARG  52 -11.051  -5.892  -8.394
  185   1HH2  ARG  52          1HH2      ARG  52  -8.158  -3.947  -8.749
  186   2HH2  ARG  52          2HH2      ARG  52  -9.674  -4.395  -9.471
  187    H    ASP  53           H        ASP  53  -8.628  -9.518  -3.141
  188    HA   ASP  53           HA       ASP  53  -8.562 -10.509  -0.397
  189   1HB   ASP  53          1HB       ASP  53  -8.386 -11.965  -3.046
  190   2HB   ASP  53          2HB       ASP  53  -8.417 -12.746  -1.471
  191    HA   PRO  54           HA       PRO  54  -4.225 -10.288   0.112
  192   1HB   PRO  54          1HB       PRO  54  -4.471 -12.943   1.430
  193   2HB   PRO  54          2HB       PRO  54  -3.773 -11.439   2.040
  194   1HG   PRO  54          1HG       PRO  54  -6.145 -12.260   2.899
  195   2HG   PRO  54          2HG       PRO  54  -5.841 -10.540   2.579
  196   1HD   PRO  54          1HD       PRO  54  -7.330 -12.544   0.924
  197   2HD   PRO  54          2HD       PRO  54  -7.700 -10.834   1.230
  198    H    LYS  55           H        LYS  55  -5.592 -13.198  -1.300
  199    HA   LYS  55           HA       LYS  55  -2.939 -13.957  -2.299
  200   1HB   LYS  55          1HB       LYS  55  -5.492 -15.500  -1.943
  201   2HB   LYS  55          2HB       LYS  55  -4.189 -16.104  -2.961
  202   1HG   LYS  55          1HG       LYS  55  -3.859 -15.364  -0.064
  203   2HG   LYS  55          2HG       LYS  55  -4.177 -17.000  -0.647
  204   1HD   LYS  55          1HD       LYS  55  -2.121 -17.038  -1.866
  205   2HD   LYS  55          2HD       LYS  55  -1.838 -15.327  -1.543
  206   1HE   LYS  55          1HE       LYS  55  -2.012 -17.430   0.606
  207   2HE   LYS  55          2HE       LYS  55  -0.497 -16.921  -0.141
  208   1HZ   LYS  55          1HZ       LYS  55  -0.835 -15.735   1.901
  209   2HZ   LYS  55          2HZ       LYS  55  -2.373 -15.209   1.409
  210   3HZ   LYS  55          3HZ       LYS  55  -0.983 -14.648   0.609
  211    H    GLN  56           H        GLN  56  -5.280 -12.020  -3.346
  212    HA   GLN  56           HA       GLN  56  -5.226 -13.023  -6.111
  213   1HB   GLN  56          1HB       GLN  56  -6.923 -10.840  -4.886
  214   2HB   GLN  56          2HB       GLN  56  -7.015 -11.387  -6.554
  215   1HG   GLN  56          1HG       GLN  56  -7.637 -13.023  -4.107
  216   2HG   GLN  56          2HG       GLN  56  -8.806 -12.332  -5.228
  217   1HE2  GLN  56          1HE2      GLN  56  -8.385 -15.103  -4.452
  218   2HE2  GLN  56          2HE2      GLN  56  -8.065 -15.968  -5.917
  219    H    VAL  57           H        VAL  57  -3.296 -11.265  -4.306
  220    HA   VAL  57           HA       VAL  57  -2.769  -9.256  -6.388
  221    HB   VAL  57           HB       VAL  57  -1.631  -8.088  -4.674
  222   1HG1  VAL  57          1HG1      VAL  57  -3.766  -7.143  -3.886
  223   2HG1  VAL  57          2HG1      VAL  57  -4.618  -8.548  -4.525
  224   3HG1  VAL  57          3HG1      VAL  57  -3.788  -7.445  -5.623
  225   1HG2  VAL  57          1HG2      VAL  57  -3.193  -9.994  -2.936
  226   2HG2  VAL  57          2HG2      VAL  57  -2.414  -8.509  -2.390
  227   3HG2  VAL  57          3HG2      VAL  57  -1.436  -9.839  -3.011
  228    H    ILE  58           H        ILE  58  -1.708 -11.797  -6.627
  229    HA   ILE  58           HA       ILE  58   0.993 -11.672  -5.560
  230    HB   ILE  58           HB       ILE  58  -0.251 -13.620  -7.268
  231   1HG1  ILE  58          1HG1      ILE  58  -1.463 -13.381  -5.162
  232   2HG1  ILE  58          2HG1      ILE  58  -0.569 -14.895  -5.214
  233   1HG2  ILE  58          1HG2      ILE  58   2.251 -13.660  -5.581
  234   2HG2  ILE  58          2HG2      ILE  58   2.189 -13.637  -7.343
  235   3HG2  ILE  58          3HG2      ILE  58   1.581 -15.036  -6.458
  236   1HD1  ILE  58          1HD1      ILE  58   0.263 -12.401  -3.750
  237   2HD1  ILE  58          2HD1      ILE  58   1.159 -13.918  -3.796
  238   3HD1  ILE  58          3HD1      ILE  58  -0.426 -13.855  -3.026
  239    H    GLY  59           H        GLY  59   2.492 -10.578  -6.647
  240   1HA   GLY  59          1HA       GLY  59   3.772  -9.821  -8.402
  241   2HA   GLY  59          2HA       GLY  59   2.977 -11.012  -9.428
  242    H    LYS  60           H        LYS  60   0.821  -9.098  -7.731
  243    HA   LYS  60           HA       LYS  60  -0.051  -7.786 -10.143
  244   1HB   LYS  60          1HB       LYS  60  -1.219  -8.885  -7.835
  245   2HB   LYS  60          2HB       LYS  60  -1.481  -7.143  -7.716
  246   1HG   LYS  60          1HG       LYS  60  -3.275  -8.521  -8.830
  247   2HG   LYS  60          2HG       LYS  60  -2.745  -7.066  -9.670
  248   1HD   LYS  60          1HD       LYS  60  -1.323  -8.441 -11.120
  249   2HD   LYS  60          2HD       LYS  60  -1.854  -9.891 -10.265
  250   1HE   LYS  60          1HE       LYS  60  -4.116  -9.567 -11.013
  251   2HE   LYS  60          2HE       LYS  60  -3.701  -8.007 -11.723
  252   1HZ   LYS  60          1HZ       LYS  60  -2.263  -9.126 -13.292
  253   2HZ   LYS  60          2HZ       LYS  60  -3.838  -9.748 -13.402
  254   3HZ   LYS  60          3HZ       LYS  60  -2.628 -10.636 -12.605
  255    H    ASN  61           H        ASN  61   0.610  -5.776 -10.619
  256    HA   ASN  61           HA       ASN  61   2.073  -4.215  -8.730
  257   1HB   ASN  61          1HB       ASN  61   2.450  -4.160 -11.208
  258   2HB   ASN  61          2HB       ASN  61   0.914  -3.323 -11.379
  259   1HD2  ASN  61          1HD2      ASN  61   3.657  -2.505 -12.038
  260   2HD2  ASN  61          2HD2      ASN  61   3.911  -1.013 -11.205
  261    H    PHE  62           H        PHE  62   1.157  -3.293  -7.079
  262    HA   PHE  62           HA       PHE  62  -1.533  -2.823  -6.649
  263   1HB   PHE  62          1HB       PHE  62   0.172  -2.865  -4.874
  264   2HB   PHE  62          2HB       PHE  62   0.830  -1.345  -5.468
  265    HD1  PHE  62           HD1      PHE  62   0.028   0.675  -4.661
  266    HD2  PHE  62           HD2      PHE  62  -2.256  -2.865  -4.062
  267    HE1  PHE  62           HE1      PHE  62  -1.515   1.923  -3.203
  268    HE2  PHE  62           HE2      PHE  62  -3.803  -1.627  -2.604
  269    HZ   PHE  62           HZ       PHE  62  -3.399   0.743  -2.113
  270    H    PHE  63           H        PHE  63   0.916  -0.710  -8.032
  271    HA   PHE  63           HA       PHE  63  -0.903   1.548  -8.112
  272   1HB   PHE  63          1HB       PHE  63   1.896   1.319  -9.241
  273   2HB   PHE  63          2HB       PHE  63   0.994   2.803  -8.941
  274    HD1  PHE  63           HD1      PHE  63   2.896   0.078  -7.422
  275    HD2  PHE  63           HD2      PHE  63   0.723   3.664  -6.704
  276    HE1  PHE  63           HE1      PHE  63   3.830   0.184  -5.149
  277    HE2  PHE  63           HE2      PHE  63   1.652   3.775  -4.430
  278    HZ   PHE  63           HZ       PHE  63   3.207   2.036  -3.651
  279    H    LYS  64           H        LYS  64  -0.906  -1.101  -9.840
  280    HA   LYS  64           HA       LYS  64  -1.434   0.299 -12.377
  281   1HB   LYS  64          1HB       LYS  64   0.627  -1.117 -12.424
  282   2HB   LYS  64          2HB       LYS  64  -0.379  -2.517 -12.083
  283   1HG   LYS  64          1HG       LYS  64   0.010  -2.529 -14.401
  284   2HG   LYS  64          2HG       LYS  64  -1.650  -1.968 -14.188
  285   1HD   LYS  64          1HD       LYS  64  -0.921   0.338 -14.471
  286   2HD   LYS  64          2HD       LYS  64   0.752  -0.200 -14.631
  287   1HE   LYS  64          1HE       LYS  64   0.002  -1.577 -16.599
  288   2HE   LYS  64          2HE       LYS  64  -1.546  -0.742 -16.497
  289   1HZ   LYS  64          1HZ       LYS  64  -0.440   1.346 -16.893
  290   2HZ   LYS  64          2HZ       LYS  64  -0.024   0.250 -18.123
  291   3HZ   LYS  64          3HZ       LYS  64   1.081   0.592 -16.883
  292    H    ASP  65           H        ASP  65  -2.058  -2.829 -10.756
  293    HA   ASP  65           HA       ASP  65  -4.665  -2.893 -12.120
  294   1HB   ASP  65          1HB       ASP  65  -3.021  -5.109 -10.875
  295   2HB   ASP  65          2HB       ASP  65  -4.627  -5.334 -11.556
  296    H    VAL  66           H        VAL  66  -3.257  -2.599  -8.972
  297    HA   VAL  66           HA       VAL  66  -5.796  -3.499  -7.770
  298    HB   VAL  66           HB       VAL  66  -3.382  -3.188  -6.307
  299   1HG1  VAL  66          1HG1      VAL  66  -4.403  -5.076  -5.101
  300   2HG1  VAL  66          2HG1      VAL  66  -5.778  -5.010  -6.204
  301   3HG1  VAL  66          3HG1      VAL  66  -5.442  -3.651  -5.132
  302   1HG2  VAL  66          1HG2      VAL  66  -4.060  -5.545  -8.049
  303   2HG2  VAL  66          2HG2      VAL  66  -2.765  -5.469  -6.856
  304   3HG2  VAL  66          3HG2      VAL  66  -2.707  -4.438  -8.285
  305    H    ALA  67           H        ALA  67  -4.652  -0.751  -8.676
  306    HA   ALA  67           HA       ALA  67  -6.098   0.959  -7.112
  307   1HB   ALA  67          1HB       ALA  67  -4.702   0.291  -5.201
  308   2HB   ALA  67          2HB       ALA  67  -4.509   2.001  -5.588
  309   3HB   ALA  67          3HB       ALA  67  -3.268   0.842  -6.065
  310    HA   PRO  68           HA       PRO  68  -3.957   2.638 -10.858
  311   1HB   PRO  68          1HB       PRO  68  -6.653   3.704 -11.383
  312   2HB   PRO  68          2HB       PRO  68  -5.601   2.749 -12.430
  313   1HG   PRO  68          1HG       PRO  68  -7.804   1.694 -11.336
  314   2HG   PRO  68          2HG       PRO  68  -6.324   0.738 -11.547
  315   1HD   PRO  68          1HD       PRO  68  -7.387   2.059  -9.071
  316   2HD   PRO  68          2HD       PRO  68  -6.671   0.444  -9.267
  317    H    CYS  69           H        CYS  69  -5.792   4.039  -8.263
  318    HA   CYS  69           HA       CYS  69  -5.393   6.751  -9.119
  319   1HB   CYS  69          1HB       CYS  69  -6.430   7.446  -7.115
  320   2HB   CYS  69          2HB       CYS  69  -7.272   5.981  -7.590
  321    H    THR  70           H        THR  70  -3.695   4.427  -7.258
  322    HA   THR  70           HA       THR  70  -2.259   6.226  -5.680
  323    HB   THR  70           HB       THR  70  -1.365   3.596  -6.311
  324    HG1  THR  70           HG1      THR  70  -3.096   3.168  -4.606
  325   1HG2  THR  70          1HG2      THR  70  -0.985   3.611  -3.892
  326   2HG2  THR  70          2HG2      THR  70  -1.607   5.260  -3.807
  327   3HG2  THR  70          3HG2      THR  70  -0.117   4.922  -4.689
  328    H    ASP  71           H        ASP  71  -1.462   4.611  -8.712
  329    HA   ASP  71           HA       ASP  71   1.259   5.388  -8.867
  330   1HB   ASP  71          1HB       ASP  71   0.177   3.759 -10.414
  331   2HB   ASP  71          2HB       ASP  71  -0.747   5.087 -11.112
  332    H    SER  72           H        SER  72   1.694   7.530  -8.349
  333    HA   SER  72           HA       SER  72   0.946   9.562 -10.193
  334   1HB   SER  72          1HB       SER  72  -1.200   9.191  -8.875
  335   2HB   SER  72          2HB       SER  72  -0.344   9.793  -7.460
  336    HG   SER  72           HG       SER  72  -0.418  11.767  -8.215
  337    HA   PRO  73           HA       PRO  73   4.636  11.578  -8.919
  338   1HB   PRO  73          1HB       PRO  73   3.310  14.042  -8.206
  339   2HB   PRO  73          2HB       PRO  73   4.306  13.689  -9.617
  340   1HG   PRO  73          1HG       PRO  73   1.378  13.689  -9.348
  341   2HG   PRO  73          2HG       PRO  73   2.375  13.831 -10.806
  342   1HD   PRO  73          1HD       PRO  73   0.940  11.620 -10.273
  343   2HD   PRO  73          2HD       PRO  73   2.521  11.538 -11.077
  344    H    GLU  74           H        GLU  74   1.866  12.239  -6.739
  345    HA   GLU  74           HA       GLU  74   3.777  12.556  -4.564
  346   1HB   GLU  74          1HB       GLU  74   1.830  13.224  -3.169
  347   2HB   GLU  74          2HB       GLU  74   2.109  14.259  -4.557
  348   1HG   GLU  74          1HG       GLU  74   0.021  12.096  -4.433
  349   2HG   GLU  74          2HG       GLU  74  -0.271  13.799  -4.094
  350    H    PHE  75           H        PHE  75   0.889  10.531  -5.237
  351    HA   PHE  75           HA       PHE  75   1.061   9.041  -2.863
  352   1HB   PHE  75          1HB       PHE  75   0.019   8.019  -5.508
  353   2HB   PHE  75          2HB       PHE  75  -0.380   7.406  -3.910
  354    HD1  PHE  75           HD1      PHE  75  -1.691   9.089  -6.523
  355    HD2  PHE  75           HD2      PHE  75  -1.198   9.539  -2.317
  356    HE1  PHE  75           HE1      PHE  75  -3.631  10.603  -6.458
  357    HE2  PHE  75           HE2      PHE  75  -3.141  11.048  -2.246
  358    HZ   PHE  75           HZ       PHE  75  -4.358  11.582  -4.319
  359    H    TYR  76           H        TYR  76   1.965   7.934  -6.120
  360    HA   TYR  76           HA       TYR  76   3.492   5.729  -5.205
  361   1HB   TYR  76          1HB       TYR  76   2.466   5.841  -7.452
  362   2HB   TYR  76          2HB       TYR  76   3.565   7.144  -7.883
  363    HD1  TYR  76           HD1      TYR  76   5.213   6.480  -9.339
  364    HD2  TYR  76           HD2      TYR  76   3.937   3.752  -6.339
  365    HE1  TYR  76           HE1      TYR  76   6.870   4.845 -10.133
  366    HE2  TYR  76           HE2      TYR  76   5.589   2.108  -7.121
  367    HH   TYR  76           HH       TYR  76   8.069   2.917  -9.371
  368    H    GLY  77           H        GLY  77   4.189   9.066  -5.833
  369   1HA   GLY  77          1HA       GLY  77   6.991   8.933  -6.018
  370   2HA   GLY  77          2HA       GLY  77   6.066  10.342  -5.524
  371    H    LYS  78           H        LYS  78   4.836   9.055  -3.224
  372    HA   LYS  78           HA       LYS  78   6.999   9.494  -1.357
  373   1HB   LYS  78          1HB       LYS  78   4.228   8.428  -0.779
  374   2HB   LYS  78          2HB       LYS  78   5.371   9.043   0.404
  375   1HG   LYS  78          1HG       LYS  78   3.990  10.620  -1.754
  376   2HG   LYS  78          2HG       LYS  78   3.653  10.670  -0.026
  377   1HD   LYS  78          1HD       LYS  78   5.771  11.673   0.431
  378   2HD   LYS  78          2HD       LYS  78   6.309  11.424  -1.234
  379   1HE   LYS  78          1HE       LYS  78   4.614  12.957  -2.041
  380   2HE   LYS  78          2HE       LYS  78   3.981  13.155  -0.410
  381   1HZ   LYS  78          1HZ       LYS  78   6.094  14.141   0.242
  382   2HZ   LYS  78          2HZ       LYS  78   5.361  15.011  -1.016
  383   3HZ   LYS  78          3HZ       LYS  78   6.676  13.988  -1.347
  384    H    PHE  79           H        PHE  79   5.216   6.745  -2.580
  385    HA   PHE  79           HA       PHE  79   6.260   4.722  -0.949
  386   1HB   PHE  79          1HB       PHE  79   4.363   4.313  -2.394
  387   2HB   PHE  79          2HB       PHE  79   5.325   4.664  -3.826
  388    HD1  PHE  79           HD1      PHE  79   4.786   2.238  -1.096
  389    HD2  PHE  79           HD2      PHE  79   6.692   3.023  -4.822
  390    HE1  PHE  79           HE1      PHE  79   5.394  -0.120  -1.284
  391    HE2  PHE  79           HE2      PHE  79   7.297   0.650  -5.012
  392    HZ   PHE  79           HZ       PHE  79   6.644  -0.921  -3.235
  393    H    LYS  80           H        LYS  80   7.565   6.339  -3.756
  394    HA   LYS  80           HA       LYS  80   9.791   4.451  -3.913
  395   1HB   LYS  80          1HB       LYS  80   9.027   6.747  -5.722
  396   2HB   LYS  80          2HB       LYS  80  10.384   5.664  -5.994
  397   1HG   LYS  80          1HG       LYS  80   7.474   4.886  -5.920
  398   2HG   LYS  80          2HG       LYS  80   8.485   5.024  -7.358
  399   1HD   LYS  80          1HD       LYS  80   9.031   3.129  -5.075
  400   2HD   LYS  80          2HD       LYS  80   8.173   2.681  -6.553
  401   1HE   LYS  80          1HE       LYS  80  10.993   3.747  -6.430
  402   2HE   LYS  80          2HE       LYS  80  10.560   2.046  -6.587
  403   1HZ   LYS  80          1HZ       LYS  80  11.134   3.218  -8.701
  404   2HZ   LYS  80          2HZ       LYS  80   9.709   4.118  -8.536
  405   3HZ   LYS  80          3HZ       LYS  80   9.635   2.433  -8.712
  406    H    GLU  81           H        GLU  81   9.131   7.215  -2.250
  407    HA   GLU  81           HA       GLU  81  11.407   8.820  -2.639
  408   1HB   GLU  81          1HB       GLU  81   9.142   9.204  -1.318
  409   2HB   GLU  81          2HB       GLU  81  10.098   8.648   0.046
  410   1HG   GLU  81          1HG       GLU  81  10.791  10.985  -1.722
  411   2HG   GLU  81          2HG       GLU  81  10.015  11.095  -0.146
  412    H    GLY  82           H        GLY  82  10.713   6.320  -0.203
  413   1HA   GLY  82          1HA       GLY  82  13.279   6.505   1.041
  414   2HA   GLY  82          2HA       GLY  82  12.100   5.220   1.276
  415    H    VAL  83           H        VAL  83  11.873   4.451  -1.416
  416    HA   VAL  83           HA       VAL  83  13.775   2.477  -1.690
  417    HB   VAL  83           HB       VAL  83  12.499   3.879  -3.845
  418   1HG1  VAL  83          1HG1      VAL  83  13.496   1.057  -3.470
  419   2HG1  VAL  83          2HG1      VAL  83  14.180   2.282  -4.540
  420   3HG1  VAL  83          3HG1      VAL  83  12.571   1.632  -4.856
  421   1HG2  VAL  83          1HG2      VAL  83  10.657   2.325  -3.511
  422   2HG2  VAL  83          2HG2      VAL  83  10.861   3.402  -2.130
  423   3HG2  VAL  83          3HG2      VAL  83  11.422   1.732  -2.038
  424    H    ALA  84           H        ALA  84  13.652   5.563  -3.471
  425    HA   ALA  84           HA       ALA  84  16.083   5.058  -4.865
  426   1HB   ALA  84          1HB       ALA  84  14.569   7.641  -4.527
  427   2HB   ALA  84          2HB       ALA  84  14.293   6.439  -5.788
  428   3HB   ALA  84          3HB       ALA  84  15.822   7.314  -5.726
  429    H    SER  85           H        SER  85  15.454   6.207  -1.736
  430    HA   SER  85           HA       SER  85  17.907   7.751  -1.563
  431   1HB   SER  85          1HB       SER  85  15.903   7.050   0.595
  432   2HB   SER  85          2HB       SER  85  17.213   8.222   0.734
  433    HG   SER  85           HG       SER  85  14.786   8.394  -0.653
  434    H    GLY  86           H        GLY  86  16.597   5.214   0.573
  435   1HA   GLY  86          1HA       GLY  86  18.843   3.492   0.235
  436   2HA   GLY  86          2HA       GLY  86  18.983   4.431   1.718
  437    H    ASN  87           H        ASN  87  17.069   4.408   3.135
  438    HA   ASN  87           HA       ASN  87  15.875   1.715   3.218
  439   1HB   ASN  87          1HB       ASN  87  16.068   3.711   5.486
  440   2HB   ASN  87          2HB       ASN  87  15.660   2.005   5.600
  441   1HD2  ASN  87          1HD2      ASN  87  18.209   4.323   5.120
  442   2HD2  ASN  87          2HD2      ASN  87  19.526   3.237   5.436
  443    H    LEU  88           H        LEU  88  13.603   1.566   3.642
  444    HA   LEU  88           HA       LEU  88  12.174   4.086   3.182
  445   1HB   LEU  88          1HB       LEU  88  12.119   1.983   1.507
  446   2HB   LEU  88          2HB       LEU  88  10.829   1.514   2.596
  447    HG   LEU  88           HG       LEU  88  10.965   3.959   0.842
  448   1HD1  LEU  88          1HD1      LEU  88  10.229   1.923  -0.238
  449   2HD1  LEU  88          2HD1      LEU  88   8.882   3.048  -0.063
  450   3HD1  LEU  88          3HD1      LEU  88   9.025   1.665   1.024
  451   1HD2  LEU  88          1HD2      LEU  88   8.816   4.636   1.783
  452   2HD2  LEU  88          2HD2      LEU  88  10.091   4.658   3.001
  453   3HD2  LEU  88          3HD2      LEU  88   8.924   3.336   2.970
  454    H    ASN  89           H        ASN  89  11.669   4.663   5.229
  455    HA   ASN  89           HA       ASN  89   9.678   3.026   6.560
  456   1HB   ASN  89          1HB       ASN  89  12.160   3.973   8.023
  457   2HB   ASN  89          2HB       ASN  89  10.729   3.304   8.782
  458   1HD2  ASN  89          1HD2      ASN  89  13.590   2.635   6.987
  459   2HD2  ASN  89          2HD2      ASN  89  13.533   0.906   7.137
  460    H    THR  90           H        THR  90   8.335   4.669   5.808
  461    HA   THR  90           HA       THR  90   8.531   7.149   7.364
  462    HB   THR  90           HB       THR  90   7.322   8.096   5.524
  463    HG1  THR  90           HG1      THR  90   8.344   6.829   3.571
  464   1HG2  THR  90          1HG2      THR  90   9.578   8.701   6.157
  465   2HG2  THR  90          2HG2      THR  90   9.437   8.605   4.400
  466   3HG2  THR  90          3HG2      THR  90  10.216   7.301   5.297
  467    H    MET  91           H        MET  91   6.524   8.190   7.784
  468    HA   MET  91           HA       MET  91   4.102   6.601   7.314
  469   1HB   MET  91          1HB       MET  91   3.361   7.154   9.661
  470   2HB   MET  91          2HB       MET  91   4.676   5.995   9.542
  471   1HG   MET  91          1HG       MET  91   6.259   7.874   9.988
  472   2HG   MET  91          2HG       MET  91   4.855   8.890  10.313
  473   1HE   MET  91          1HE       MET  91   2.867   6.859  11.730
  474   2HE   MET  91          2HE       MET  91   3.163   8.488  12.337
  475   3HE   MET  91          3HE       MET  91   3.273   7.108  13.429
  476    H    PHE  92           H        PHE  92   2.751   7.835   6.219
  477    HA   PHE  92           HA       PHE  92   2.519  10.680   6.889
  478   1HB   PHE  92          1HB       PHE  92   2.355  11.084   4.338
  479   2HB   PHE  92          2HB       PHE  92   3.950  10.874   5.048
  480    HD1  PHE  92           HD1      PHE  92   1.410   9.410   2.850
  481    HD2  PHE  92           HD2      PHE  92   5.253   8.881   4.616
  482    HE1  PHE  92           HE1      PHE  92   1.899   7.602   1.255
  483    HE2  PHE  92           HE2      PHE  92   5.740   7.074   3.023
  484    HZ   PHE  92           HZ       PHE  92   4.063   6.433   1.338
  485    H    GLU  93           H        GLU  93   0.551  11.685   5.854
  486    HA   GLU  93           HA       GLU  93  -1.619   9.698   5.866
  487   1HB   GLU  93          1HB       GLU  93  -1.682  12.654   6.480
  488   2HB   GLU  93          2HB       GLU  93  -3.114  11.645   6.360
  489   1HG   GLU  93          1HG       GLU  93  -2.772  11.685   8.619
  490   2HG   GLU  93          2HG       GLU  93  -1.927  10.208   8.166
  491    H    TYR  94           H        TYR  94  -2.610   9.278   4.045
  492    HA   TYR  94           HA       TYR  94  -2.910  11.327   2.004
  493   1HB   TYR  94          1HB       TYR  94  -1.176   8.948   1.737
  494   2HB   TYR  94          2HB       TYR  94  -2.239   9.269   0.375
  495    HD1  TYR  94           HD1      TYR  94   0.838  10.108   1.944
  496    HD2  TYR  94           HD2      TYR  94  -2.188  11.653  -0.614
  497    HE1  TYR  94           HE1      TYR  94   2.405  11.819   1.137
  498    HE2  TYR  94           HE2      TYR  94  -0.627  13.368  -1.434
  499    HH   TYR  94           HH       TYR  94   1.484  14.535  -0.520
  500    H    THR  95           H        THR  95  -4.330  10.420   0.166
  501    HA   THR  95           HA       THR  95  -6.540   9.100   1.551
  502    HB   THR  95           HB       THR  95  -6.805  11.255   0.817
  503    HG1  THR  95           HG1      THR  95  -8.527   9.651   0.936
  504   1HG2  THR  95          1HG2      THR  95  -5.418  11.234  -1.187
  505   2HG2  THR  95          2HG2      THR  95  -7.070  11.728  -1.549
  506   3HG2  THR  95          3HG2      THR  95  -6.531  10.097  -1.948
  507    H    PHE  96           H        PHE  96  -7.835   7.571   0.501
  508    HA   PHE  96           HA       PHE  96  -6.747   6.396  -1.978
  509   1HB   PHE  96          1HB       PHE  96  -8.142   5.013   0.328
  510   2HB   PHE  96          2HB       PHE  96  -7.791   4.250  -1.219
  511    HD1  PHE  96           HD1      PHE  96  -5.252   4.433  -1.959
  512    HD2  PHE  96           HD2      PHE  96  -6.662   4.703   2.046
  513    HE1  PHE  96           HE1      PHE  96  -3.024   3.794  -1.138
  514    HE2  PHE  96           HE2      PHE  96  -4.435   4.058   2.877
  515    HZ   PHE  96           HZ       PHE  96  -2.606   3.616   1.270
  516    H    ASP  97           H        ASP  97  -7.996   7.207  -3.502
  517    HA   ASP  97           HA       ASP  97 -10.894   7.416  -3.028
  518   1HB   ASP  97          1HB       ASP  97  -9.643   9.568  -3.309
  519   2HB   ASP  97          2HB       ASP  97  -9.172   9.047  -4.921
  520    H    TYR  98           H        TYR  98 -10.680   8.115  -6.133
  521    HA   TYR  98           HA       TYR  98 -10.877   7.081  -8.132
  522   1HB   TYR  98          1HB       TYR  98  -8.741   5.995  -7.650
  523   2HB   TYR  98          2HB       TYR  98  -9.571   4.724  -6.763
  524    HD1  TYR  98           HD1      TYR  98  -9.892   2.732  -7.854
  525    HD2  TYR  98           HD2      TYR  98  -9.678   6.321 -10.138
  526    HE1  TYR  98           HE1      TYR  98 -10.093   1.424  -9.936
  527    HE2  TYR  98           HE2      TYR  98  -9.876   5.024 -12.215
  528    HH   TYR  98           HH       TYR  98  -9.439   2.737 -13.005
  529    H    GLN  99           H        GLN  99 -11.418   4.360  -5.901
  530    HA   GLN  99           HA       GLN  99 -14.179   4.233  -6.915
  531   1HB   GLN  99          1HB       GLN  99 -13.964   1.733  -6.265
  532   2HB   GLN  99          2HB       GLN  99 -13.247   2.279  -7.773
  533   1HG   GLN  99          1HG       GLN  99 -11.678   0.844  -6.777
  534   2HG   GLN  99          2HG       GLN  99 -11.070   2.476  -6.517
  535   1HE2  GLN  99          1HE2      GLN  99  -9.868   2.021  -4.764
  536   2HE2  GLN  99          2HE2      GLN  99 -10.515   1.538  -3.237
  537    H    MET 100           H        MET 100 -12.337   5.002  -4.361
  538    HA   MET 100           HA       MET 100 -14.399   4.249  -2.395
  539   1HB   MET 100          1HB       MET 100 -12.101   3.284  -2.007
  540   2HB   MET 100          2HB       MET 100 -11.506   4.934  -1.843
  541   1HG   MET 100          1HG       MET 100 -11.890   3.844   0.315
  542   2HG   MET 100          2HG       MET 100 -12.871   5.292   0.100
  543   1HE   MET 100          1HE       MET 100 -13.346   3.026   2.332
  544   2HE   MET 100          2HE       MET 100 -15.104   2.892   2.288
  545   3HE   MET 100          3HE       MET 100 -14.342   4.480   2.200
  546    H    THR 101           H        THR 101 -15.135   5.862  -0.992
  547    HA   THR 101           HA       THR 101 -15.066   8.537  -1.754
  548    HB   THR 101           HB       THR 101 -16.566   7.672  -0.304
  549    HG1  THR 101           HG1      THR 101 -15.301   9.470   1.384
  550   1HG2  THR 101          1HG2      THR 101 -14.288   7.398   1.642
  551   2HG2  THR 101          2HG2      THR 101 -15.201   6.081   0.908
  552   3HG2  THR 101          3HG2      THR 101 -15.998   7.194   2.019
  553    HA   PRO 102           HA       PRO 102 -10.922   9.745  -0.951
  554   1HB   PRO 102          1HB       PRO 102 -11.291  12.370  -0.229
  555   2HB   PRO 102          2HB       PRO 102 -11.312  11.784  -1.895
  556   1HG   PRO 102          1HG       PRO 102 -13.603  12.377  -0.066
  557   2HG   PRO 102          2HG       PRO 102 -13.423  12.738  -1.794
  558   1HD   PRO 102          1HD       PRO 102 -14.897  10.670  -0.929
  559   2HD   PRO 102          2HD       PRO 102 -13.950  10.573  -2.426
  560    H    THR 103           H        THR 103 -11.176   8.258   1.003
  561    HA   THR 103           HA       THR 103 -11.438   9.597   3.551
  562    HB   THR 103           HB       THR 103 -10.515   7.449   4.278
  563    HG1  THR 103           HG1      THR 103 -11.554   6.709   1.742
  564   1HG2  THR 103          1HG2      THR 103 -13.213   7.823   2.998
  565   2HG2  THR 103          2HG2      THR 103 -12.771   8.235   4.655
  566   3HG2  THR 103          3HG2      THR 103 -12.790   6.548   4.140
  567    H    LYS 104           H        LYS 104  -9.840   9.958   5.076
  568    HA   LYS 104           HA       LYS 104  -7.124  10.044   3.950
  569   1HB   LYS 104          1HB       LYS 104  -8.466  11.756   6.041
  570   2HB   LYS 104          2HB       LYS 104  -6.722  11.736   5.830
  571   1HG   LYS 104          1HG       LYS 104  -7.467  13.599   4.626
  572   2HG   LYS 104          2HG       LYS 104  -7.155  12.362   3.408
  573   1HD   LYS 104          1HD       LYS 104  -9.569  11.811   3.417
  574   2HD   LYS 104          2HD       LYS 104  -9.837  13.151   4.534
  575   1HE   LYS 104          1HE       LYS 104  -8.934  14.709   2.879
  576   2HE   LYS 104          2HE       LYS 104  -8.679  13.371   1.758
  577   1HZ   LYS 104          1HZ       LYS 104 -11.271  14.402   2.773
  578   2HZ   LYS 104          2HZ       LYS 104 -11.118  12.958   1.894
  579   3HZ   LYS 104          3HZ       LYS 104 -10.699  14.436   1.174
  580    H    VAL 105           H        VAL 105  -5.781   8.568   4.679
  581    HA   VAL 105           HA       VAL 105  -6.043   7.693   7.473
  582    HB   VAL 105           HB       VAL 105  -5.190   5.644   6.821
  583   1HG1  VAL 105          1HG1      VAL 105  -7.554   6.021   7.278
  584   2HG1  VAL 105          2HG1      VAL 105  -7.347   4.848   5.978
  585   3HG1  VAL 105          3HG1      VAL 105  -7.808   6.509   5.603
  586   1HG2  VAL 105          1HG2      VAL 105  -4.170   6.208   4.708
  587   2HG2  VAL 105          2HG2      VAL 105  -5.741   6.652   4.043
  588   3HG2  VAL 105          3HG2      VAL 105  -5.411   4.975   4.477
  589    H    LYS 106           H        LYS 106  -4.026   6.685   8.307
  590    HA   LYS 106           HA       LYS 106  -1.669   8.101   7.258
  591   1HB   LYS 106          1HB       LYS 106  -2.171   8.532   9.627
  592   2HB   LYS 106          2HB       LYS 106  -2.154   6.805   9.957
  593   1HG   LYS 106          1HG       LYS 106   0.250   6.800   9.197
  594   2HG   LYS 106          2HG       LYS 106   0.167   8.562   9.209
  595   1HD   LYS 106          1HD       LYS 106  -0.468   6.824  11.586
  596   2HD   LYS 106          2HD       LYS 106   1.111   7.548  11.290
  597   1HE   LYS 106          1HE       LYS 106  -1.444   9.124  11.531
  598   2HE   LYS 106          2HE       LYS 106  -0.352   8.812  12.879
  599   1HZ   LYS 106          1HZ       LYS 106   1.418   9.910  11.561
  600   2HZ   LYS 106          2HZ       LYS 106   0.149  10.944  11.982
  601   3HZ   LYS 106          3HZ       LYS 106   0.257  10.340  10.398
  602    H    VAL 107           H        VAL 107  -0.039   6.935   6.351
  603    HA   VAL 107           HA       VAL 107  -0.355   4.027   6.473
  604    HB   VAL 107           HB       VAL 107  -0.979   4.862   4.484
  605   1HG1  VAL 107          1HG1      VAL 107   0.632   5.962   2.998
  606   2HG1  VAL 107          2HG1      VAL 107   1.771   6.075   4.340
  607   3HG1  VAL 107          3HG1      VAL 107   0.237   6.944   4.409
  608   1HG2  VAL 107          1HG2      VAL 107   1.666   3.452   4.399
  609   2HG2  VAL 107          2HG2      VAL 107   0.503   3.548   3.077
  610   3HG2  VAL 107          3HG2      VAL 107   0.076   2.705   4.566
  611    H    HIS 108           H        HIS 108   1.424   2.830   6.764
  612    HA   HIS 108           HA       HIS 108   3.879   4.325   7.416
  613   1HB   HIS 108          1HB       HIS 108   2.467   3.193   9.289
  614   2HB   HIS 108          2HB       HIS 108   3.099   1.684   8.645
  615    HD1  HIS 108           HD1      HIS 108   4.053   1.666  11.232
  616    HD2  HIS 108           HD2      HIS 108   5.857   4.264   8.524
  617    HE1  HIS 108           HE1      HIS 108   6.247   2.320  12.272
  618    HE2  HIS 108           HE2      HIS 108   7.265   3.995  10.681
  619    H    MET 109           H        MET 109   5.376   3.938   5.983
  620    HA   MET 109           HA       MET 109   5.437   1.363   4.547
  621   1HB   MET 109          1HB       MET 109   6.835   4.003   4.045
  622   2HB   MET 109          2HB       MET 109   7.161   2.548   3.119
  623   1HG   MET 109          1HG       MET 109   4.548   4.035   3.257
  624   2HG   MET 109          2HG       MET 109   5.686   4.024   1.906
  625   1HE   MET 109          1HE       MET 109   6.322   1.751   0.587
  626   2HE   MET 109          2HE       MET 109   5.504   0.213   0.864
  627   3HE   MET 109          3HE       MET 109   6.559   0.885   2.106
  628    H    LYS 110           H        LYS 110   6.939  -0.151   5.097
  629    HA   LYS 110           HA       LYS 110   9.426   0.749   6.366
  630   1HB   LYS 110          1HB       LYS 110   7.634  -1.392   7.535
  631   2HB   LYS 110          2HB       LYS 110   9.251  -1.008   8.101
  632   1HG   LYS 110          1HG       LYS 110   8.436   1.308   8.581
  633   2HG   LYS 110          2HG       LYS 110   6.807   0.733   8.224
  634   1HD   LYS 110          1HD       LYS 110   6.912   0.503  10.519
  635   2HD   LYS 110          2HD       LYS 110   7.353  -1.112   9.963
  636   1HE   LYS 110          1HE       LYS 110   9.295   1.053  10.787
  637   2HE   LYS 110          2HE       LYS 110   8.808  -0.309  11.788
  638   1HZ   LYS 110          1HZ       LYS 110   9.725  -1.769   9.980
  639   2HZ   LYS 110          2HZ       LYS 110  10.870  -0.865  10.845
  640   3HZ   LYS 110          3HZ       LYS 110  10.405  -0.372   9.291
  641    H    LYS 111           H        LYS 111  11.078  -0.170   5.408
  642    HA   LYS 111           HA       LYS 111  10.767  -2.190   3.415
  643   1HB   LYS 111          1HB       LYS 111  12.424  -0.212   3.523
  644   2HB   LYS 111          2HB       LYS 111  13.384  -1.248   4.566
  645   1HG   LYS 111          1HG       LYS 111  13.508  -2.918   2.771
  646   2HG   LYS 111          2HG       LYS 111  12.576  -1.833   1.732
  647   1HD   LYS 111          1HD       LYS 111  14.331  -0.140   1.923
  648   2HD   LYS 111          2HD       LYS 111  15.269  -1.226   2.950
  649   1HE   LYS 111          1HE       LYS 111  15.425  -2.834   1.124
  650   2HE   LYS 111          2HE       LYS 111  14.459  -1.775   0.097
  651   1HZ   LYS 111          1HZ       LYS 111  17.077  -1.025   1.282
  652   2HZ   LYS 111          2HZ       LYS 111  16.176  -0.130   0.154
  653   3HZ   LYS 111          3HZ       LYS 111  16.873  -1.607  -0.299
  654    H    ALA 112           H        ALA 112  11.098  -4.374   3.552
  655    HA   ALA 112           HA       ALA 112  12.750  -5.626   5.493
  656   1HB   ALA 112          1HB       ALA 112   9.785  -5.795   6.022
  657   2HB   ALA 112          2HB       ALA 112  10.960  -4.929   7.013
  658   3HB   ALA 112          3HB       ALA 112  11.044  -6.687   6.874
  659    H    LEU 113           H        LEU 113  11.381  -7.997   5.811
  660    HA   LEU 113           HA       LEU 113  11.490 -10.064   4.844
  661   1HB   LEU 113          1HB       LEU 113   9.097  -9.216   4.892
  662   2HB   LEU 113          2HB       LEU 113   9.270  -9.028   3.155
  663    HG   LEU 113           HG       LEU 113   9.666 -11.400   2.874
  664   1HD1  LEU 113          1HD1      LEU 113   9.421 -11.581   5.876
  665   2HD1  LEU 113          2HD1      LEU 113  10.892 -11.823   4.934
  666   3HD1  LEU 113          3HD1      LEU 113   9.546 -12.949   4.769
  667   1HD2  LEU 113          1HD2      LEU 113   7.289 -10.905   4.662
  668   2HD2  LEU 113          2HD2      LEU 113   7.499 -12.271   3.565
  669   3HD2  LEU 113          3HD2      LEU 113   7.346 -10.636   2.920
  670    H    SER 114           H        SER 114  12.995 -10.850   3.765
  671    HA   SER 114           HA       SER 114  14.506 -10.478   1.740
  672   1HB   SER 114          1HB       SER 114  12.764 -12.939   1.673
  673   2HB   SER 114          2HB       SER 114  14.445 -12.795   1.142
  674    HG   SER 114           HG       SER 114  15.116 -12.644   3.234
  675    H    GLY 115           H        GLY 115  14.039  -9.080   0.165
  676   1HA   GLY 115          1HA       GLY 115  13.117  -9.704  -2.276
  677   2HA   GLY 115          2HA       GLY 115  11.626  -9.397  -1.380
  678    H    ASP 116           H        ASP 116  13.680  -7.527   0.158
  679    HA   ASP 116           HA       ASP 116  13.865  -5.298   0.379
  680   1HB   ASP 116          1HB       ASP 116  14.219  -5.536  -2.603
  681   2HB   ASP 116          2HB       ASP 116  14.316  -3.983  -1.777
  682    H    SER 117           H        SER 117  11.303  -6.613  -0.074
  683    HA   SER 117           HA       SER 117   9.616  -4.571  -1.144
  684   1HB   SER 117          1HB       SER 117   7.810  -6.132  -0.107
  685   2HB   SER 117          2HB       SER 117   8.722  -6.713  -1.506
  686    HG   SER 117           HG       SER 117   9.892  -7.247   0.949
  687    H    TYR 118           H        TYR 118   7.683  -3.931   0.390
  688    HA   TYR 118           HA       TYR 118   8.847  -3.181   2.972
  689   1HB   TYR 118          1HB       TYR 118   7.047  -1.297   1.492
  690   2HB   TYR 118          2HB       TYR 118   8.302  -0.940   2.676
  691    HD1  TYR 118           HD1      TYR 118   7.523  -1.260  -0.825
  692    HD2  TYR 118           HD2      TYR 118  10.709  -1.137   1.987
  693    HE1  TYR 118           HE1      TYR 118   9.088  -0.680  -2.630
  694    HE2  TYR 118           HE2      TYR 118  12.282  -0.560   0.187
  695    HH   TYR 118           HH       TYR 118  11.277   0.485  -2.844
  696    H    TRP 119           H        TRP 119   7.335  -2.836   4.606
  697    HA   TRP 119           HA       TRP 119   4.769  -4.161   4.162
  698   1HB   TRP 119          1HB       TRP 119   6.480  -3.637   6.573
  699   2HB   TRP 119          2HB       TRP 119   4.755  -3.940   6.772
  700    HD1  TRP 119           HD1      TRP 119   8.022  -5.711   6.266
  701    HE1  TRP 119           HE1      TRP 119   7.615  -8.251   6.115
  702    HE3  TRP 119           HE3      TRP 119   2.929  -5.700   5.815
  703    HZ2  TRP 119           HZ2      TRP 119   5.432 -10.011   5.831
  704    HZ3  TRP 119           HZ3      TRP 119   1.758  -7.854   5.609
  705    HH2  TRP 119           HH2      TRP 119   2.985  -9.964   5.616
  706    H    VAL 120           H        VAL 120   3.256  -2.819   3.594
  707    HA   VAL 120           HA       VAL 120   3.325  -0.092   4.650
  708    HB   VAL 120           HB       VAL 120   3.355  -0.139   2.479
  709   1HG1  VAL 120          1HG1      VAL 120   1.711  -1.297   1.087
  710   2HG1  VAL 120          2HG1      VAL 120   1.032  -2.051   2.529
  711   3HG1  VAL 120          3HG1      VAL 120   2.685  -2.421   2.035
  712   1HG2  VAL 120          1HG2      VAL 120   1.866   1.511   3.416
  713   2HG2  VAL 120          2HG2      VAL 120   0.530   0.361   3.366
  714   3HG2  VAL 120          3HG2      VAL 120   1.256   0.933   1.865
  715    H    PHE 121           H        PHE 121   2.264   0.135   6.422
  716    HA   PHE 121           HA       PHE 121  -0.196  -1.401   6.910
  717   1HB   PHE 121          1HB       PHE 121   1.485   0.172   8.879
  718   2HB   PHE 121          2HB       PHE 121   0.140  -0.888   9.270
  719    HD1  PHE 121           HD1      PHE 121   3.662  -0.640   8.799
  720    HD2  PHE 121           HD2      PHE 121   0.397  -3.367   8.737
  721    HE1  PHE 121           HE1      PHE 121   5.232  -2.522   9.033
  722    HE2  PHE 121           HE2      PHE 121   1.959  -5.253   8.971
  723    HZ   PHE 121           HZ       PHE 121   4.385  -4.813   9.209
  724    H    VAL 122           H        VAL 122  -2.126  -0.365   7.224
  725    HA   VAL 122           HA       VAL 122  -2.037   2.576   7.187
  726    HB   VAL 122           HB       VAL 122  -4.163   2.516   6.250
  727   1HG1  VAL 122          1HG1      VAL 122  -2.101   2.992   5.010
  728   2HG1  VAL 122          2HG1      VAL 122  -3.282   2.141   4.012
  729   3HG1  VAL 122          3HG1      VAL 122  -1.906   1.268   4.687
  730   1HG2  VAL 122          1HG2      VAL 122  -3.518  -0.389   5.813
  731   2HG2  VAL 122          2HG2      VAL 122  -4.820   0.502   5.028
  732   3HG2  VAL 122          3HG2      VAL 122  -4.847   0.259   6.775
  733    H    LYS 123           H        LYS 123  -3.430   3.724   8.426
  734    HA   LYS 123           HA       LYS 123  -5.482   2.373   9.991
  735   1HB   LYS 123          1HB       LYS 123  -3.209   3.918  11.250
  736   2HB   LYS 123          2HB       LYS 123  -4.730   3.614  12.071
  737   1HG   LYS 123          1HG       LYS 123  -4.255   1.145  11.691
  738   2HG   LYS 123          2HG       LYS 123  -2.617   1.649  11.261
  739   1HD   LYS 123          1HD       LYS 123  -4.030   2.202  13.874
  740   2HD   LYS 123          2HD       LYS 123  -2.734   1.033  13.618
  741   1HE   LYS 123          1HE       LYS 123  -1.150   2.743  13.191
  742   2HE   LYS 123          2HE       LYS 123  -2.407   3.970  13.056
  743   1HZ   LYS 123          1HZ       LYS 123  -1.168   4.012  15.184
  744   2HZ   LYS 123          2HZ       LYS 123  -1.820   2.492  15.560
  745   3HZ   LYS 123          3HZ       LYS 123  -2.844   3.827  15.372
  746    H    ARG 124           H        ARG 124  -7.053   3.865  10.823
  747    HA   ARG 124           HA       ARG 124  -6.968   6.465   9.471
  748   1HB   ARG 124          1HB       ARG 124  -9.406   6.583  10.003
  749   2HB   ARG 124          2HB       ARG 124  -8.970   5.247   8.949
  750   1HG   ARG 124          1HG       ARG 124  -9.213   3.671  10.707
  751   2HG   ARG 124          2HG       ARG 124  -9.347   4.949  11.917
  752   1HD   ARG 124          1HD       ARG 124 -11.525   3.945  11.356
  753   2HD   ARG 124          2HD       ARG 124 -11.452   5.667  10.984
  754    HE   ARG 124           HE       ARG 124 -11.023   3.663   8.873
  755   1HH1  ARG 124          1HH1      ARG 124 -12.781   6.389  10.187
  756   2HH1  ARG 124          2HH1      ARG 124 -13.727   6.639   8.747
  757   1HH2  ARG 124          1HH2      ARG 124 -12.252   3.985   6.968
  758   2HH2  ARG 124          2HH2      ARG 124 -13.432   5.264   6.918
  759    H    VAL 125           H        VAL 125  -6.484   8.201  10.608
  760    HA   VAL 125           HA       VAL 125  -6.606   8.031  13.522
  761    HB   VAL 125           HB       VAL 125  -5.445  10.132  13.358
  762   1HG1  VAL 125          1HG1      VAL 125  -4.240   7.516  12.462
  763   2HG1  VAL 125          2HG1      VAL 125  -4.530   8.009  14.130
  764   3HG1  VAL 125          3HG1      VAL 125  -3.349   8.876  13.147
  765   1HG2  VAL 125          1HG2      VAL 125  -4.068  10.366  11.350
  766   2HG2  VAL 125          2HG2      VAL 125  -5.781  10.604  11.004
  767   3HG2  VAL 125          3HG2      VAL 125  -5.000   9.085  10.570
  768    H2   HC4 169           H2       HC4 169  -6.513   3.677  -3.494
  769    H3   HC4 169           H3       HC4 169  -7.661   1.683  -5.392
  770    H2'  HC4 169           H2'      HC4 169  -8.154  -0.554  -4.235
  771    H3'  HC4 169           H3'      HC4 169  -8.544  -1.870  -2.183
  772    H5'  HC4 169           H5'      HC4 169  -6.822   1.289   0.111
  773    H6'  HC4 169           H6'      HC4 169  -6.636   2.660  -1.917
  Start of MODEL   14
    1    H    LEU  26           H        LEU  26  -8.572  -9.797  11.938
    2    HA   LEU  26           HA       LEU  26  -7.287  -9.368  14.005
    3   1HB   LEU  26          1HB       LEU  26  -6.465  -9.436  11.477
    4   2HB   LEU  26          2HB       LEU  26  -6.067  -7.769  11.798
    5    HG   LEU  26           HG       LEU  26  -4.171  -9.196  12.064
    6   1HD1  LEU  26          1HD1      LEU  26  -4.294  -7.199  13.451
    7   2HD1  LEU  26          2HD1      LEU  26  -3.441  -8.499  14.283
    8   3HD1  LEU  26          3HD1      LEU  26  -5.108  -8.123  14.713
    9   1HD2  LEU  26          1HD2      LEU  26  -4.055 -10.851  13.877
   10   2HD2  LEU  26          2HD2      LEU  26  -5.273 -11.263  12.670
   11   3HD2  LEU  26          3HD2      LEU  26  -5.763 -10.571  14.216
   12    H    ALA  27           H        ALA  27  -7.121  -6.373  12.095
   13    HA   ALA  27           HA       ALA  27  -8.254  -4.704  14.095
   14   1HB   ALA  27          1HB       ALA  27  -6.242  -3.507  14.792
   15   2HB   ALA  27          2HB       ALA  27  -5.242  -4.617  13.855
   16   3HB   ALA  27          3HB       ALA  27  -6.145  -5.209  15.250
   17    H    PHE  28           H        PHE  28  -5.504  -4.389  11.860
   18    HA   PHE  28           HA       PHE  28  -7.166  -2.713  10.121
   19   1HB   PHE  28          1HB       PHE  28  -5.295  -1.122   9.817
   20   2HB   PHE  28          2HB       PHE  28  -5.887  -1.142  11.471
   21    HD1  PHE  28           HD1      PHE  28  -3.068  -1.753   9.286
   22    HD2  PHE  28           HD2      PHE  28  -4.537  -2.199  13.256
   23    HE1  PHE  28           HE1      PHE  28  -0.776  -2.161  10.085
   24    HE2  PHE  28           HE2      PHE  28  -2.250  -2.605  14.060
   25    HZ   PHE  28           HZ       PHE  28  -0.363  -2.523  12.491
   26    H    GLY  29           H        GLY  29  -5.198  -2.126   8.205
   27   1HA   GLY  29          1HA       GLY  29  -4.950  -4.842   7.103
   28   2HA   GLY  29          2HA       GLY  29  -5.076  -3.366   6.160
   29    H    ALA  30           H        ALA  30  -3.025  -5.728   7.137
   30    HA   ALA  30           HA       ALA  30  -0.650  -4.010   6.990
   31   1HB   ALA  30          1HB       ALA  30  -0.882  -6.886   7.887
   32   2HB   ALA  30          2HB       ALA  30  -0.754  -5.482   8.947
   33   3HB   ALA  30          3HB       ALA  30   0.591  -5.914   7.891
   34    H    ILE  31           H        ILE  31  -0.095  -3.741   4.931
   35    HA   ILE  31           HA       ILE  31  -0.360  -6.020   3.089
   36    HB   ILE  31           HB       ILE  31  -0.051  -3.207   2.538
   37   1HG1  ILE  31          1HG1      ILE  31  -2.541  -4.905   2.651
   38   2HG1  ILE  31          2HG1      ILE  31  -2.102  -3.662   3.817
   39   1HG2  ILE  31          1HG2      ILE  31  -0.875  -5.562   0.842
   40   2HG2  ILE  31          2HG2      ILE  31   0.635  -4.659   0.709
   41   3HG2  ILE  31          3HG2      ILE  31  -0.899  -3.874   0.332
   42   1HD1  ILE  31          1HD1      ILE  31  -2.681  -3.210   0.896
   43   2HD1  ILE  31          2HD1      ILE  31  -2.258  -1.966   2.074
   44   3HD1  ILE  31          3HD1      ILE  31  -3.767  -2.861   2.241
   45    H    GLN  32           H        GLN  32   1.374  -6.344   1.544
   46    HA   GLN  32           HA       GLN  32   3.859  -4.893   2.128
   47   1HB   GLN  32          1HB       GLN  32   3.436  -7.828   1.985
   48   2HB   GLN  32          2HB       GLN  32   4.898  -7.193   1.244
   49   1HG   GLN  32          1HG       GLN  32   4.932  -5.912   3.620
   50   2HG   GLN  32          2HG       GLN  32   4.151  -7.431   4.065
   51   1HE2  GLN  32          1HE2      GLN  32   7.011  -5.953   2.766
   52   2HE2  GLN  32          2HE2      GLN  32   8.070  -7.301   3.003
   53    H    LEU  33           H        LEU  33   5.072  -4.325   0.390
   54    HA   LEU  33           HA       LEU  33   4.240  -5.244  -2.228
   55   1HB   LEU  33          1HB       LEU  33   4.023  -3.115  -3.213
   56   2HB   LEU  33          2HB       LEU  33   3.043  -3.083  -1.772
   57    HG   LEU  33           HG       LEU  33   5.779  -1.829  -2.047
   58   1HD1  LEU  33          1HD1      LEU  33   3.044  -0.569  -1.943
   59   2HD1  LEU  33          2HD1      LEU  33   4.066  -0.700  -3.374
   60   3HD1  LEU  33          3HD1      LEU  33   4.585   0.286  -2.007
   61   1HD2  LEU  33          1HD2      LEU  33   5.121  -0.688   0.090
   62   2HD2  LEU  33          2HD2      LEU  33   5.477  -2.405   0.239
   63   3HD2  LEU  33          3HD2      LEU  33   3.801  -1.851   0.226
   64    H    ASP  34           H        ASP  34   5.895  -4.946  -3.861
   65    HA   ASP  34           HA       ASP  34   8.540  -4.675  -2.603
   66   1HB   ASP  34          1HB       ASP  34   9.428  -6.187  -4.097
   67   2HB   ASP  34          2HB       ASP  34   7.800  -6.829  -3.904
   68    H    GLY  35           H        GLY  35  10.265  -3.866  -4.204
   69   1HA   GLY  35          1HA       GLY  35   9.826  -1.158  -4.571
   70   2HA   GLY  35          2HA       GLY  35  11.127  -2.062  -5.321
   71    H    ASP  36           H        ASP  36   9.037  -3.724  -6.787
   72    HA   ASP  36           HA       ASP  36   8.859  -1.996  -9.087
   73   1HB   ASP  36          1HB       ASP  36   9.358  -4.398  -9.345
   74   2HB   ASP  36          2HB       ASP  36   7.777  -4.793  -8.675
   75    H    GLY  37           H        GLY  37   6.674  -3.308  -6.665
   76   1HA   GLY  37          1HA       GLY  37   4.773  -1.758  -6.187
   77   2HA   GLY  37          2HA       GLY  37   4.491  -1.768  -7.922
   78    H    ASN  38           H        ASN  38   5.518  -4.805  -6.992
   79    HA   ASN  38           HA       ASN  38   2.935  -5.944  -7.448
   80   1HB   ASN  38          1HB       ASN  38   5.467  -7.237  -6.397
   81   2HB   ASN  38          2HB       ASN  38   4.006  -8.107  -6.851
   82   1HD2  ASN  38          1HD2      ASN  38   6.815  -6.473  -7.936
   83   2HD2  ASN  38          2HD2      ASN  38   6.671  -6.903  -9.612
   84    H    ILE  39           H        ILE  39   1.580  -6.939  -5.998
   85    HA   ILE  39           HA       ILE  39   1.986  -6.184  -3.214
   86    HB   ILE  39           HB       ILE  39  -0.220  -7.582  -4.412
   87   1HG1  ILE  39          1HG1      ILE  39   0.234  -4.611  -4.088
   88   2HG1  ILE  39          2HG1      ILE  39   0.224  -5.484  -5.619
   89   1HG2  ILE  39          1HG2      ILE  39  -0.093  -7.672  -1.985
   90   2HG2  ILE  39          2HG2      ILE  39  -1.366  -6.549  -2.465
   91   3HG2  ILE  39          3HG2      ILE  39   0.190  -5.934  -1.908
   92   1HD1  ILE  39          1HD1      ILE  39  -1.876  -4.323  -5.228
   93   2HD1  ILE  39          2HD1      ILE  39  -2.105  -5.228  -3.732
   94   3HD1  ILE  39          3HD1      ILE  39  -2.110  -6.070  -5.281
   95    H    LEU  40           H        LEU  40   1.979  -7.713  -1.536
   96    HA   LEU  40           HA       LEU  40   2.465 -10.497  -2.373
   97   1HB   LEU  40          1HB       LEU  40   3.984  -8.966  -0.254
   98   2HB   LEU  40          2HB       LEU  40   4.223 -10.655  -0.654
   99    HG   LEU  40           HG       LEU  40   4.900  -9.859  -2.993
  100   1HD1  LEU  40          1HD1      LEU  40   5.757  -7.595  -3.172
  101   2HD1  LEU  40          2HD1      LEU  40   5.164  -7.228  -1.553
  102   3HD1  LEU  40          3HD1      LEU  40   4.022  -7.592  -2.850
  103   1HD2  LEU  40          1HD2      LEU  40   7.192  -9.221  -2.229
  104   2HD2  LEU  40          2HD2      LEU  40   6.560 -10.714  -1.523
  105   3HD2  LEU  40          3HD2      LEU  40   6.574  -9.226  -0.574
  106    H    GLN  41           H        GLN  41   2.592  -8.976   0.785
  107    HA   GLN  41           HA       GLN  41   0.584 -10.814   1.795
  108   1HB   GLN  41          1HB       GLN  41   2.552  -8.926   3.045
  109   2HB   GLN  41          2HB       GLN  41   1.171  -9.475   3.980
  110   1HG   GLN  41          1HG       GLN  41   3.113 -10.826   4.455
  111   2HG   GLN  41          2HG       GLN  41   1.872 -11.793   3.664
  112   1HE2  GLN  41          1HE2      GLN  41   5.009 -10.329   3.354
  113   2HE2  GLN  41          2HE2      GLN  41   5.492 -11.209   1.940
  114    H    TYR  42           H        TYR  42  -1.405 -10.218   2.521
  115    HA   TYR  42           HA       TYR  42  -2.140  -7.372   2.322
  116   1HB   TYR  42          1HB       TYR  42  -3.050  -9.438   0.642
  117   2HB   TYR  42          2HB       TYR  42  -4.384  -9.084   1.729
  118    HD1  TYR  42           HD1      TYR  42  -5.939  -7.690   0.773
  119    HD2  TYR  42           HD2      TYR  42  -1.819  -7.018  -0.047
  120    HE1  TYR  42           HE1      TYR  42  -6.530  -5.715  -0.570
  121    HE2  TYR  42           HE2      TYR  42  -2.403  -5.046  -1.396
  122    HH   TYR  42           HH       TYR  42  -4.407  -4.203  -2.672
  123    H    ASN  43           H        ASN  43  -1.671  -9.733   4.401
  124    HA   ASN  43           HA       ASN  43  -2.418 -10.362   6.445
  125   1HB   ASN  43          1HB       ASN  43  -2.465  -7.782   6.645
  126   2HB   ASN  43          2HB       ASN  43  -4.209  -7.932   6.466
  127   1HD2  ASN  43          1HD2      ASN  43  -1.465  -8.554   8.492
  128   2HD2  ASN  43          2HD2      ASN  43  -2.360  -8.924   9.946
  129    H    ALA  44           H        ALA  44  -4.772 -10.486   7.721
  130    HA   ALA  44           HA       ALA  44  -6.552 -11.815   5.806
  131   1HB   ALA  44          1HB       ALA  44  -6.512 -11.949   8.825
  132   2HB   ALA  44          2HB       ALA  44  -5.818 -13.146   7.732
  133   3HB   ALA  44          3HB       ALA  44  -7.562 -12.886   7.761
  134    H    ALA  45           H        ALA  45  -6.131  -8.857   6.871
  135    HA   ALA  45           HA       ALA  45  -8.718  -8.180   7.908
  136   1HB   ALA  45          1HB       ALA  45  -6.519  -6.375   6.919
  137   2HB   ALA  45          2HB       ALA  45  -6.695  -6.964   8.571
  138   3HB   ALA  45          3HB       ALA  45  -7.916  -5.894   7.883
  139    H    GLU  46           H        GLU  46  -7.010  -7.544   4.830
  140    HA   GLU  46           HA       GLU  46  -9.230  -6.112   3.759
  141   1HB   GLU  46          1HB       GLU  46  -6.838  -7.273   2.328
  142   2HB   GLU  46          2HB       GLU  46  -7.958  -6.087   1.669
  143   1HG   GLU  46          1HG       GLU  46  -5.991  -5.732   3.909
  144   2HG   GLU  46          2HG       GLU  46  -6.041  -4.897   2.356
  145    HE2  GLU  46           HE2      GLU  46  -7.666  -2.838   2.189
  146    H    GLY  47           H        GLY  47  -8.342  -9.436   3.879
  147   1HA   GLY  47          1HA       GLY  47 -10.084 -10.358   1.815
  148   2HA   GLY  47          2HA       GLY  47  -9.438 -11.327   3.135
  149    H    ASP  48           H        ASP  48 -10.545  -9.211   5.003
  150    HA   ASP  48           HA       ASP  48 -13.244 -10.312   5.206
  151   1HB   ASP  48          1HB       ASP  48 -11.888 -10.417   7.210
  152   2HB   ASP  48          2HB       ASP  48 -11.542  -8.696   7.117
  153    H    ILE  49           H        ILE  49 -11.607  -7.512   4.171
  154    HA   ILE  49           HA       ILE  49 -13.819  -5.697   4.568
  155    HB   ILE  49           HB       ILE  49 -11.425  -5.508   2.994
  156   1HG1  ILE  49          1HG1      ILE  49 -10.941  -5.768   5.315
  157   2HG1  ILE  49          2HG1      ILE  49 -10.682  -4.095   4.846
  158   1HG2  ILE  49          1HG2      ILE  49 -13.145  -4.013   2.150
  159   2HG2  ILE  49          2HG2      ILE  49 -11.936  -3.093   3.044
  160   3HG2  ILE  49          3HG2      ILE  49 -13.494  -3.456   3.787
  161   1HD1  ILE  49          1HD1      ILE  49 -12.858  -3.511   5.825
  162   2HD1  ILE  49          2HD1      ILE  49 -11.743  -4.197   7.006
  163   3HD1  ILE  49          3HD1      ILE  49 -13.050  -5.184   6.349
  164    H    THR  50           H        THR  50 -12.144  -6.887   1.625
  165    HA   THR  50           HA       THR  50 -14.718  -6.848   0.257
  166    HB   THR  50           HB       THR  50 -13.769  -4.801   0.023
  167    HG1  THR  50           HG1      THR  50 -15.029  -5.464  -1.658
  168   1HG2  THR  50          1HG2      THR  50 -11.494  -6.217  -1.341
  169   2HG2  THR  50          2HG2      THR  50 -11.409  -5.348   0.190
  170   3HG2  THR  50          3HG2      THR  50 -11.759  -4.474  -1.302
  171    H    GLY  51           H        GLY  51 -13.327  -9.044   1.114
  172   1HA   GLY  51          1HA       GLY  51 -12.561 -11.090   0.425
  173   2HA   GLY  51          2HA       GLY  51 -13.340 -10.706  -1.102
  174    H    ARG  52           H        ARG  52 -10.594  -9.001   0.328
  175    HA   ARG  52           HA       ARG  52  -9.061  -9.734  -2.048
  176   1HB   ARG  52          1HB       ARG  52  -8.932  -7.431  -0.156
  177   2HB   ARG  52          2HB       ARG  52  -7.467  -7.912  -1.005
  178   1HG   ARG  52          1HG       ARG  52 -10.086  -7.187  -2.304
  179   2HG   ARG  52          2HG       ARG  52  -8.660  -6.148  -2.193
  180   1HD   ARG  52          1HD       ARG  52  -7.393  -7.571  -3.587
  181   2HD   ARG  52          2HD       ARG  52  -8.573  -8.872  -3.461
  182    HE   ARG  52           HE       ARG  52  -9.029  -6.357  -4.941
  183   1HH1  ARG  52          1HH1      ARG  52  -9.541  -9.786  -4.452
  184   2HH1  ARG  52          2HH1      ARG  52 -10.420 -10.004  -5.931
  185   1HH2  ARG  52          1HH2      ARG  52 -10.197  -6.634  -6.898
  186   2HH2  ARG  52          2HH2      ARG  52 -10.788  -8.223  -7.321
  187    H    ASP  53           H        ASP  53  -8.592 -11.826  -1.388
  188    HA   ASP  53           HA       ASP  53  -7.105 -12.461   0.935
  189   1HB   ASP  53          1HB       ASP  53  -7.122 -13.883  -1.743
  190   2HB   ASP  53          2HB       ASP  53  -6.585 -14.564  -0.213
  191    HA   PRO  54           HA       PRO  54  -3.015 -10.993  -0.042
  192   1HB   PRO  54          1HB       PRO  54  -2.092 -13.654   0.904
  193   2HB   PRO  54          2HB       PRO  54  -1.600 -12.041   1.429
  194   1HG   PRO  54          1HG       PRO  54  -3.191 -13.554   2.947
  195   2HG   PRO  54          2HG       PRO  54  -3.414 -11.798   2.844
  196   1HD   PRO  54          1HD       PRO  54  -4.994 -13.991   1.578
  197   2HD   PRO  54          2HD       PRO  54  -5.540 -12.427   2.215
  198    H    LYS  55           H        LYS  55  -4.055 -14.213  -0.966
  199    HA   LYS  55           HA       LYS  55  -1.971 -14.683  -2.858
  200   1HB   LYS  55          1HB       LYS  55  -4.658 -16.013  -2.491
  201   2HB   LYS  55          2HB       LYS  55  -3.380 -16.608  -3.539
  202   1HG   LYS  55          1HG       LYS  55  -1.957 -17.050  -1.690
  203   2HG   LYS  55          2HG       LYS  55  -3.047 -16.215  -0.581
  204   1HD   LYS  55          1HD       LYS  55  -3.265 -18.640  -0.386
  205   2HD   LYS  55          2HD       LYS  55  -4.757 -17.907  -0.975
  206   1HE   LYS  55          1HE       LYS  55  -4.167 -18.535  -3.262
  207   2HE   LYS  55          2HE       LYS  55  -2.666 -19.256  -2.680
  208   1HZ   LYS  55          1HZ       LYS  55  -3.979 -20.815  -1.373
  209   2HZ   LYS  55          2HZ       LYS  55  -4.359 -20.936  -3.020
  210   3HZ   LYS  55          3HZ       LYS  55  -5.416 -20.132  -1.961
  211    H    GLN  56           H        GLN  56  -4.858 -12.863  -2.960
  212    HA   GLN  56           HA       GLN  56  -5.430 -13.274  -5.748
  213   1HB   GLN  56          1HB       GLN  56  -6.489 -11.307  -3.722
  214   2HB   GLN  56          2HB       GLN  56  -7.014 -11.334  -5.397
  215   1HG   GLN  56          1HG       GLN  56  -7.293 -13.597  -3.436
  216   2HG   GLN  56          2HG       GLN  56  -8.575 -12.493  -3.931
  217   1HE2  GLN  56          1HE2      GLN  56  -8.514 -15.360  -4.182
  218   2HE2  GLN  56          2HE2      GLN  56  -8.648 -15.713  -5.870
  219    H    VAL  57           H        VAL  57  -3.423 -11.117  -3.925
  220    HA   VAL  57           HA       VAL  57  -3.289  -9.289  -6.224
  221    HB   VAL  57           HB       VAL  57  -2.232  -7.842  -4.652
  222   1HG1  VAL  57          1HG1      VAL  57  -5.120  -8.681  -4.342
  223   2HG1  VAL  57          2HG1      VAL  57  -4.491  -7.599  -5.584
  224   3HG1  VAL  57          3HG1      VAL  57  -4.442  -7.117  -3.887
  225   1HG2  VAL  57          1HG2      VAL  57  -1.769  -9.467  -2.902
  226   2HG2  VAL  57          2HG2      VAL  57  -3.493  -9.801  -2.743
  227   3HG2  VAL  57          3HG2      VAL  57  -2.862  -8.208  -2.327
  228    H    ILE  58           H        ILE  58  -1.638 -11.814  -5.528
  229    HA   ILE  58           HA       ILE  58   1.011 -10.670  -5.284
  230    HB   ILE  58           HB       ILE  58   0.156 -13.369  -5.799
  231   1HG1  ILE  58          1HG1      ILE  58   0.987 -11.938  -3.280
  232   2HG1  ILE  58          2HG1      ILE  58  -0.642 -12.478  -3.664
  233   1HG2  ILE  58          1HG2      ILE  58   2.825 -12.201  -5.015
  234   2HG2  ILE  58          2HG2      ILE  58   2.434 -12.932  -6.571
  235   3HG2  ILE  58          3HG2      ILE  58   2.440 -13.919  -5.109
  236   1HD1  ILE  58          1HD1      ILE  58   0.140 -14.798  -3.656
  237   2HD1  ILE  58          2HD1      ILE  58   0.424 -13.993  -2.114
  238   3HD1  ILE  58          3HD1      ILE  58   1.761 -14.241  -3.238
  239    H    GLY  59           H        GLY  59   2.460 -10.372  -6.912
  240   1HA   GLY  59          1HA       GLY  59   3.254 -10.320  -9.097
  241   2HA   GLY  59          2HA       GLY  59   1.964 -11.430  -9.545
  242    H    LYS  60           H        LYS  60   0.650  -8.995  -7.784
  243    HA   LYS  60           HA       LYS  60  -0.324  -7.721 -10.239
  244   1HB   LYS  60          1HB       LYS  60  -1.533  -8.531  -7.669
  245   2HB   LYS  60          2HB       LYS  60  -2.046  -6.958  -8.279
  246   1HG   LYS  60          1HG       LYS  60  -2.668  -8.031 -10.415
  247   2HG   LYS  60          2HG       LYS  60  -2.244  -9.594  -9.712
  248   1HD   LYS  60          1HD       LYS  60  -3.948  -9.338  -8.021
  249   2HD   LYS  60          2HD       LYS  60  -4.316  -7.710  -8.594
  250   1HE   LYS  60          1HE       LYS  60  -4.647 -10.242 -10.194
  251   2HE   LYS  60          2HE       LYS  60  -5.948  -9.378  -9.378
  252   1HZ   LYS  60          1HZ       LYS  60  -6.009  -8.699 -11.608
  253   2HZ   LYS  60          2HZ       LYS  60  -4.329  -8.476 -11.691
  254   3HZ   LYS  60          3HZ       LYS  60  -5.283  -7.407 -10.778
  255    H    ASN  61           H        ASN  61  -0.054  -5.570 -10.537
  256    HA   ASN  61           HA       ASN  61   1.748  -4.260  -8.672
  257   1HB   ASN  61          1HB       ASN  61   2.011  -4.125 -11.193
  258   2HB   ASN  61          2HB       ASN  61   0.596  -3.076 -11.202
  259   1HD2  ASN  61          1HD2      ASN  61   3.943  -3.372 -10.391
  260   2HD2  ASN  61          2HD2      ASN  61   4.222  -1.702 -10.025
  261    H    PHE  62           H        PHE  62   0.986  -3.271  -6.992
  262    HA   PHE  62           HA       PHE  62  -1.647  -2.620  -6.462
  263   1HB   PHE  62          1HB       PHE  62   0.154  -2.811  -4.772
  264   2HB   PHE  62          2HB       PHE  62   0.827  -1.288  -5.339
  265    HD1  PHE  62           HD1      PHE  62   0.245   0.647  -4.245
  266    HD2  PHE  62           HD2      PHE  62  -2.361  -2.708  -4.041
  267    HE1  PHE  62           HE1      PHE  62  -1.189   1.861  -2.656
  268    HE2  PHE  62           HE2      PHE  62  -3.801  -1.501  -2.455
  269    HZ   PHE  62           HZ       PHE  62  -3.216   0.788  -1.761
  270    H    PHE  63           H        PHE  63   0.927  -0.495  -7.694
  271    HA   PHE  63           HA       PHE  63  -0.790   1.817  -7.614
  272   1HB   PHE  63          1HB       PHE  63   1.975   1.474  -8.787
  273   2HB   PHE  63          2HB       PHE  63   1.151   3.009  -8.535
  274    HD1  PHE  63           HD1      PHE  63   3.122   0.389  -7.046
  275    HD2  PHE  63           HD2      PHE  63   0.690   3.780  -6.218
  276    HE1  PHE  63           HE1      PHE  63   4.076   0.518  -4.783
  277    HE2  PHE  63           HE2      PHE  63   1.643   3.917  -3.956
  278    HZ   PHE  63           HZ       PHE  63   3.339   2.286  -3.235
  279    H    LYS  64           H        LYS  64  -1.464  -0.473  -9.477
  280    HA   LYS  64           HA       LYS  64  -1.835   1.127 -11.868
  281   1HB   LYS  64          1HB       LYS  64   0.335   0.172 -12.251
  282   2HB   LYS  64          2HB       LYS  64  -0.255  -1.423 -11.834
  283   1HG   LYS  64          1HG       LYS  64  -1.391  -1.674 -13.833
  284   2HG   LYS  64          2HG       LYS  64  -1.428   0.065 -14.141
  285   1HD   LYS  64          1HD       LYS  64   0.185  -1.148 -15.582
  286   2HD   LYS  64          2HD       LYS  64   0.939   0.090 -14.576
  287   1HE   LYS  64          1HE       LYS  64   1.380  -1.835 -12.919
  288   2HE   LYS  64          2HE       LYS  64   1.036  -2.895 -14.286
  289   1HZ   LYS  64          1HZ       LYS  64   3.133  -0.792 -14.200
  290   2HZ   LYS  64          2HZ       LYS  64   2.810  -1.802 -15.524
  291   3HZ   LYS  64          3HZ       LYS  64   3.405  -2.463 -14.077
  292    H    ASP  65           H        ASP  65  -2.177  -2.126 -10.481
  293    HA   ASP  65           HA       ASP  65  -4.527  -2.595 -12.111
  294   1HB   ASP  65          1HB       ASP  65  -2.845  -4.390 -11.730
  295   2HB   ASP  65          2HB       ASP  65  -3.303  -4.409 -10.028
  296    H    VAL  66           H        VAL  66  -4.036  -3.229  -8.632
  297    HA   VAL  66           HA       VAL  66  -6.897  -2.886  -8.267
  298    HB   VAL  66           HB       VAL  66  -5.091  -3.311  -6.117
  299   1HG1  VAL  66          1HG1      VAL  66  -6.951  -4.744  -5.407
  300   2HG1  VAL  66          2HG1      VAL  66  -7.816  -4.346  -6.890
  301   3HG1  VAL  66          3HG1      VAL  66  -7.477  -3.086  -5.705
  302   1HG2  VAL  66          1HG2      VAL  66  -5.777  -5.340  -8.224
  303   2HG2  VAL  66          2HG2      VAL  66  -5.126  -5.718  -6.631
  304   3HG2  VAL  66          3HG2      VAL  66  -4.169  -4.777  -7.772
  305    H    ALA  67           H        ALA  67  -4.819  -0.591  -8.614
  306    HA   ALA  67           HA       ALA  67  -6.137   1.263  -6.928
  307   1HB   ALA  67          1HB       ALA  67  -4.318   1.894  -5.447
  308   2HB   ALA  67          2HB       ALA  67  -3.306   0.613  -6.117
  309   3HB   ALA  67          3HB       ALA  67  -4.758   0.203  -5.202
  310    HA   PRO  68           HA       PRO  68  -3.958   3.542 -10.195
  311   1HB   PRO  68          1HB       PRO  68  -6.405   4.800 -10.915
  312   2HB   PRO  68          2HB       PRO  68  -5.555   3.530 -11.797
  313   1HG   PRO  68          1HG       PRO  68  -8.031   3.246 -10.567
  314   2HG   PRO  68          2HG       PRO  68  -6.959   1.915 -11.034
  315   1HD   PRO  68          1HD       PRO  68  -7.341   3.192  -8.352
  316   2HD   PRO  68          2HD       PRO  68  -7.089   1.479  -8.765
  317    H    CYS  69           H        CYS  69  -5.786   4.388  -7.421
  318    HA   CYS  69           HA       CYS  69  -5.454   7.240  -7.774
  319   1HB   CYS  69          1HB       CYS  69  -6.756   7.548  -5.890
  320   2HB   CYS  69          2HB       CYS  69  -7.366   6.011  -6.480
  321    H    THR  70           H        THR  70  -3.376   4.855  -7.006
  322    HA   THR  70           HA       THR  70  -2.205   6.094  -4.658
  323    HB   THR  70           HB       THR  70  -0.818   4.139  -4.826
  324    HG1  THR  70           HG1      THR  70  -2.235   2.520  -6.063
  325   1HG2  THR  70          1HG2      THR  70  -2.587   4.442  -3.209
  326   2HG2  THR  70          2HG2      THR  70  -2.641   2.803  -3.859
  327   3HG2  THR  70          3HG2      THR  70  -3.799   4.011  -4.415
  328    H    ASP  71           H        ASP  71  -1.285   5.233  -7.963
  329    HA   ASP  71           HA       ASP  71   1.466   5.928  -7.718
  330   1HB   ASP  71          1HB       ASP  71   0.401   4.467  -9.505
  331   2HB   ASP  71          2HB       ASP  71  -0.185   5.945 -10.253
  332    H    SER  72           H        SER  72   1.673   7.954  -6.791
  333    HA   SER  72           HA       SER  72   1.030  10.242  -8.462
  334   1HB   SER  72          1HB       SER  72  -0.108  11.413  -6.574
  335   2HB   SER  72          2HB       SER  72  -1.005  10.006  -7.144
  336    HG   SER  72           HG       SER  72  -0.996   9.725  -5.004
  337    HA   PRO  73           HA       PRO  73   4.797  11.968  -6.967
  338   1HB   PRO  73          1HB       PRO  73   3.301  14.426  -6.203
  339   2HB   PRO  73          2HB       PRO  73   4.721  14.245  -7.239
  340   1HG   PRO  73          1HG       PRO  73   2.326  14.703  -8.301
  341   2HG   PRO  73          2HG       PRO  73   3.462  13.578  -9.073
  342   1HD   PRO  73          1HD       PRO  73   1.038  12.993  -7.426
  343   2HD   PRO  73          2HD       PRO  73   1.654  12.157  -8.866
  344    H    GLU  74           H        GLU  74   2.041  12.703  -4.800
  345    HA   GLU  74           HA       GLU  74   3.811  13.165  -2.580
  346   1HB   GLU  74          1HB       GLU  74   1.700  13.372  -1.248
  347   2HB   GLU  74          2HB       GLU  74   1.830  14.475  -2.605
  348   1HG   GLU  74          1HG       GLU  74   0.417  11.912  -3.059
  349   2HG   GLU  74          2HG       GLU  74  -0.385  13.128  -2.063
  350    H    PHE  75           H        PHE  75   2.082  10.405  -3.790
  351    HA   PHE  75           HA       PHE  75   2.580   9.004  -1.251
  352   1HB   PHE  75          1HB       PHE  75   0.247   8.998  -2.113
  353   2HB   PHE  75          2HB       PHE  75   0.807   8.155  -3.552
  354    HD1  PHE  75           HD1      PHE  75   0.766   5.849  -3.602
  355    HD2  PHE  75           HD2      PHE  75   0.776   7.847   0.157
  356    HE1  PHE  75           HE1      PHE  75   0.447   3.696  -2.457
  357    HE2  PHE  75           HE2      PHE  75   0.461   5.695   1.307
  358    HZ   PHE  75           HZ       PHE  75   0.297   3.616  -0.001
  359    H    TYR  76           H        TYR  76   2.477   8.076  -4.674
  360    HA   TYR  76           HA       TYR  76   4.247   5.902  -4.371
  361   1HB   TYR  76          1HB       TYR  76   2.666   6.002  -6.209
  362   2HB   TYR  76          2HB       TYR  76   3.435   7.454  -6.835
  363    HD1  TYR  76           HD1      TYR  76   5.125   7.281  -8.431
  364    HD2  TYR  76           HD2      TYR  76   4.105   3.866  -6.111
  365    HE1  TYR  76           HE1      TYR  76   6.607   5.900  -9.821
  366    HE2  TYR  76           HE2      TYR  76   5.583   2.475  -7.497
  367    HH   TYR  76           HH       TYR  76   7.887   3.756  -9.549
  368    H    GLY  77           H        GLY  77   4.735   9.247  -5.365
  369   1HA   GLY  77          1HA       GLY  77   7.407   9.068  -6.187
  370   2HA   GLY  77          2HA       GLY  77   6.639  10.514  -5.553
  371    H    LYS  78           H        LYS  78   6.039   9.591  -2.967
  372    HA   LYS  78           HA       LYS  78   8.588   9.983  -1.732
  373   1HB   LYS  78          1HB       LYS  78   5.868   9.396  -0.549
  374   2HB   LYS  78          2HB       LYS  78   7.300   9.770   0.405
  375   1HG   LYS  78          1HG       LYS  78   6.016  11.579  -1.633
  376   2HG   LYS  78          2HG       LYS  78   5.903  11.738   0.122
  377   1HD   LYS  78          1HD       LYS  78   8.090  12.417   0.336
  378   2HD   LYS  78          2HD       LYS  78   8.591  11.626  -1.158
  379   1HE   LYS  78          1HE       LYS  78   7.326  13.331  -2.433
  380   2HE   LYS  78          2HE       LYS  78   6.955  14.146  -0.914
  381   1HZ   LYS  78          1HZ       LYS  78   9.144  14.771  -0.614
  382   2HZ   LYS  78          2HZ       LYS  78   8.967  14.930  -2.295
  383   3HZ   LYS  78          3HZ       LYS  78   9.750  13.570  -1.646
  384    H    PHE  79           H        PHE  79   6.458   7.262  -2.248
  385    HA   PHE  79           HA       PHE  79   7.770   5.290  -0.765
  386   1HB   PHE  79          1HB       PHE  79   5.668   4.804  -1.831
  387   2HB   PHE  79          2HB       PHE  79   6.326   5.180  -3.417
  388    HD1  PHE  79           HD1      PHE  79   6.517   2.779  -0.616
  389    HD2  PHE  79           HD2      PHE  79   7.349   3.536  -4.715
  390    HE1  PHE  79           HE1      PHE  79   7.063   0.406  -0.938
  391    HE2  PHE  79           HE2      PHE  79   7.900   1.166  -5.044
  392    HZ   PHE  79           HZ       PHE  79   7.807  -0.384  -3.137
  393    H    LYS  80           H        LYS  80   8.394   6.531  -3.979
  394    HA   LYS  80           HA       LYS  80  10.451   4.657  -4.578
  395   1HB   LYS  80          1HB       LYS  80   9.727   7.275  -5.893
  396   2HB   LYS  80          2HB       LYS  80  10.884   6.121  -6.542
  397   1HG   LYS  80          1HG       LYS  80   7.972   5.552  -6.032
  398   2HG   LYS  80          2HG       LYS  80   8.674   5.950  -7.600
  399   1HD   LYS  80          1HD       LYS  80   9.529   3.592  -5.925
  400   2HD   LYS  80          2HD       LYS  80   8.306   3.500  -7.197
  401   1HE   LYS  80          1HE       LYS  80  10.013   4.370  -8.794
  402   2HE   LYS  80          2HE       LYS  80  11.211   4.249  -7.507
  403   1HZ   LYS  80          1HZ       LYS  80  11.281   2.317  -8.946
  404   2HZ   LYS  80          2HZ       LYS  80   9.644   1.989  -8.641
  405   3HZ   LYS  80          3HZ       LYS  80  10.779   1.867  -7.392
  406    H    GLU  81           H        GLU  81  10.423   7.631  -2.827
  407    HA   GLU  81           HA       GLU  81  13.130   8.370  -3.371
  408   1HB   GLU  81          1HB       GLU  81  11.292   9.167  -1.111
  409   2HB   GLU  81          2HB       GLU  81  12.907   9.825  -1.336
  410   1HG   GLU  81          1HG       GLU  81  12.025  10.408  -3.717
  411   2HG   GLU  81          2HG       GLU  81  10.443  10.246  -2.954
  412    H    GLY  82           H        GLY  82  11.572   6.342  -0.975
  413   1HA   GLY  82          1HA       GLY  82  13.937   5.974   0.609
  414   2HA   GLY  82          2HA       GLY  82  12.474   4.997   0.679
  415    H    VAL  83           H        VAL  83  12.286   4.100  -1.871
  416    HA   VAL  83           HA       VAL  83  13.958   1.894  -2.029
  417    HB   VAL  83           HB       VAL  83  12.783   3.297  -4.243
  418   1HG1  VAL  83          1HG1      VAL  83  12.661   1.043  -5.169
  419   2HG1  VAL  83          2HG1      VAL  83  13.450   0.401  -3.728
  420   3HG1  VAL  83          3HG1      VAL  83  14.330   1.485  -4.807
  421   1HG2  VAL  83          1HG2      VAL  83  11.132   3.072  -2.500
  422   2HG2  VAL  83          2HG2      VAL  83  11.556   1.374  -2.286
  423   3HG2  VAL  83          3HG2      VAL  83  10.818   1.917  -3.794
  424    H    ALA  84           H        ALA  84  14.141   4.903  -3.952
  425    HA   ALA  84           HA       ALA  84  16.307   4.170  -5.535
  426   1HB   ALA  84          1HB       ALA  84  14.831   6.073  -6.000
  427   2HB   ALA  84          2HB       ALA  84  16.536   6.522  -6.066
  428   3HB   ALA  84          3HB       ALA  84  15.562   6.956  -4.660
  429    H    SER  85           H        SER  85  16.298   5.920  -2.447
  430    HA   SER  85           HA       SER  85  19.119   6.305  -2.443
  431   1HB   SER  85          1HB       SER  85  17.143   6.505  -0.161
  432   2HB   SER  85          2HB       SER  85  18.787   7.147  -0.167
  433    HG   SER  85           HG       SER  85  16.759   8.497  -0.833
  434    H    GLY  86           H        GLY  86  17.158   4.458  -0.089
  435   1HA   GLY  86          1HA       GLY  86  18.757   2.121  -0.317
  436   2HA   GLY  86          2HA       GLY  86  19.255   3.073   1.076
  437    H    ASN  87           H        ASN  87  17.634   3.599   2.656
  438    HA   ASN  87           HA       ASN  87  15.827   1.362   3.064
  439   1HB   ASN  87          1HB       ASN  87  15.584   2.343   5.380
  440   2HB   ASN  87          2HB       ASN  87  17.194   1.786   4.959
  441   1HD2  ASN  87          1HD2      ASN  87  15.877   4.848   3.804
  442   2HD2  ASN  87          2HD2      ASN  87  16.932   5.846   4.753
  443    H    LEU  88           H        LEU  88  13.645   1.612   3.553
  444    HA   LEU  88           HA       LEU  88  12.504   4.207   2.812
  445   1HB   LEU  88          1HB       LEU  88  12.200   1.905   1.405
  446   2HB   LEU  88          2HB       LEU  88  10.848   1.783   2.513
  447    HG   LEU  88           HG       LEU  88  11.360   3.933   0.468
  448   1HD1  LEU  88          1HD1      LEU  88  10.399   1.892  -0.391
  449   2HD1  LEU  88          2HD1      LEU  88   9.201   3.187  -0.407
  450   3HD1  LEU  88          3HD1      LEU  88   9.135   1.940   0.839
  451   1HD2  LEU  88          1HD2      LEU  88   9.196   3.857   2.571
  452   2HD2  LEU  88          2HD2      LEU  88   9.307   5.009   1.239
  453   3HD2  LEU  88          3HD2      LEU  88  10.538   5.000   2.502
  454    H    ASN  89           H        ASN  89  11.591   5.131   4.526
  455    HA   ASN  89           HA       ASN  89   9.626   3.671   6.018
  456   1HB   ASN  89          1HB       ASN  89  10.524   3.963   8.226
  457   2HB   ASN  89          2HB       ASN  89  11.709   3.101   7.266
  458   1HD2  ASN  89          1HD2      ASN  89  13.651   4.092   6.764
  459   2HD2  ASN  89          2HD2      ASN  89  14.197   5.532   7.555
  460    H    THR  90           H        THR  90   7.993   4.919   6.237
  461    HA   THR  90           HA       THR  90   8.206   7.602   7.142
  462    HB   THR  90           HB       THR  90   8.788   7.772   4.915
  463    HG1  THR  90           HG1      THR  90   7.932   9.623   5.542
  464   1HG2  THR  90          1HG2      THR  90   7.437   5.967   3.976
  465   2HG2  THR  90          2HG2      THR  90   7.095   7.512   3.198
  466   3HG2  THR  90          3HG2      THR  90   5.969   6.854   4.384
  467    H    MET  91           H        MET  91   6.125   8.560   7.464
  468    HA   MET  91           HA       MET  91   3.833   6.735   7.246
  469   1HB   MET  91          1HB       MET  91   4.597   6.670   9.576
  470   2HB   MET  91          2HB       MET  91   4.525   8.425   9.664
  471   1HG   MET  91          1HG       MET  91   2.132   8.387   9.390
  472   2HG   MET  91          2HG       MET  91   2.158   6.640   9.160
  473   1HE   MET  91          1HE       MET  91   4.207   5.621  11.323
  474   2HE   MET  91          2HE       MET  91   2.625   4.891  11.050
  475   3HE   MET  91          3HE       MET  91   3.130   5.314  12.684
  476    H    PHE  92           H        PHE  92   2.524   7.704   5.854
  477    HA   PHE  92           HA       PHE  92   2.332  10.651   5.873
  478   1HB   PHE  92          1HB       PHE  92   3.533   9.448   3.902
  479   2HB   PHE  92          2HB       PHE  92   1.919   8.940   3.433
  480    HD1  PHE  92           HD1      PHE  92   0.422  10.427   2.355
  481    HD2  PHE  92           HD2      PHE  92   4.122  11.845   3.905
  482    HE1  PHE  92           HE1      PHE  92   0.124  12.538   1.127
  483    HE2  PHE  92           HE2      PHE  92   3.826  13.960   2.688
  484    HZ   PHE  92           HZ       PHE  92   1.827  14.309   1.295
  485    H    GLU  93           H        GLU  93   0.230  11.504   5.264
  486    HA   GLU  93           HA       GLU  93  -1.909   9.495   5.487
  487   1HB   GLU  93          1HB       GLU  93  -3.384  11.353   6.294
  488   2HB   GLU  93          2HB       GLU  93  -2.089  10.897   7.388
  489   1HG   GLU  93          1HG       GLU  93  -0.788  12.842   6.471
  490   2HG   GLU  93          2HG       GLU  93  -2.275  13.345   5.665
  491    H    TYR  94           H        TYR  94  -3.143   9.180   3.825
  492    HA   TYR  94           HA       TYR  94  -3.178  11.104   1.611
  493   1HB   TYR  94          1HB       TYR  94  -1.241   9.530   1.348
  494   2HB   TYR  94          2HB       TYR  94  -2.379   8.191   1.331
  495    HD1  TYR  94           HD1      TYR  94  -2.829   7.315  -0.747
  496    HD2  TYR  94           HD2      TYR  94  -1.957  11.466  -0.430
  497    HE1  TYR  94           HE1      TYR  94  -3.023   7.537  -3.189
  498    HE2  TYR  94           HE2      TYR  94  -2.157  11.698  -2.869
  499    HH   TYR  94           HH       TYR  94  -3.380   9.151  -4.871
  500    H    THR  95           H        THR  95  -4.793  10.326  -0.114
  501    HA   THR  95           HA       THR  95  -7.068   9.157   1.314
  502    HB   THR  95           HB       THR  95  -8.347  10.037  -0.390
  503    HG1  THR  95           HG1      THR  95  -7.254  10.592  -2.128
  504   1HG2  THR  95          1HG2      THR  95  -8.144  12.334   0.400
  505   2HG2  THR  95          2HG2      THR  95  -6.572  11.955   1.101
  506   3HG2  THR  95          3HG2      THR  95  -8.027  11.184   1.733
  507    H    PHE  96           H        PHE  96  -8.428   7.649   0.297
  508    HA   PHE  96           HA       PHE  96  -7.342   6.396  -2.146
  509   1HB   PHE  96          1HB       PHE  96  -8.853   5.112   0.140
  510   2HB   PHE  96          2HB       PHE  96  -8.523   4.310  -1.391
  511    HD1  PHE  96           HD1      PHE  96  -5.726   5.298  -1.834
  512    HD2  PHE  96           HD2      PHE  96  -7.656   3.773   1.637
  513    HE1  PHE  96           HE1      PHE  96  -3.557   4.524  -0.975
  514    HE2  PHE  96           HE2      PHE  96  -5.488   2.993   2.502
  515    HZ   PHE  96           HZ       PHE  96  -3.436   3.369   1.196
  516    H    ASP  97           H        ASP  97  -8.528   7.231  -3.748
  517    HA   ASP  97           HA       ASP  97 -11.447   7.386  -3.391
  518   1HB   ASP  97          1HB       ASP  97 -11.342   9.505  -4.773
  519   2HB   ASP  97          2HB       ASP  97 -10.685   9.625  -3.146
  520    H    TYR  98           H        TYR  98  -9.537   5.521  -4.783
  521    HA   TYR  98           HA       TYR  98  -9.720   5.773  -7.559
  522   1HB   TYR  98          1HB       TYR  98  -9.207   3.375  -7.647
  523   2HB   TYR  98          2HB       TYR  98  -8.189   4.204  -6.481
  524    HD1  TYR  98           HD1      TYR  98  -9.538   1.193  -6.963
  525    HD2  TYR  98           HD2      TYR  98  -9.741   4.287  -4.048
  526    HE1  TYR  98           HE1      TYR  98 -10.161  -0.460  -5.255
  527    HE2  TYR  98           HE2      TYR  98 -10.368   2.642  -2.335
  528    HH   TYR  98           HH       TYR  98  -9.987  -0.627  -2.697
  529    H    GLN  99           H        GLN  99 -11.888   4.223  -5.264
  530    HA   GLN  99           HA       GLN  99 -14.017   4.168  -7.255
  531   1HB   GLN  99          1HB       GLN  99 -13.140   1.714  -5.701
  532   2HB   GLN  99          2HB       GLN  99 -14.570   1.818  -6.719
  533   1HG   GLN  99          1HG       GLN  99 -13.253   2.017  -8.684
  534   2HG   GLN  99          2HG       GLN  99 -11.775   2.247  -7.742
  535   1HE2  GLN  99          1HE2      GLN  99 -10.761   0.527  -8.730
  536   2HE2  GLN  99          2HE2      GLN  99 -11.171  -1.112  -8.363
  537    H    MET 100           H        MET 100 -13.012   3.340  -3.981
  538    HA   MET 100           HA       MET 100 -15.481   3.992  -2.723
  539   1HB   MET 100          1HB       MET 100 -13.660   2.549  -1.740
  540   2HB   MET 100          2HB       MET 100 -12.708   4.011  -1.524
  541   1HG   MET 100          1HG       MET 100 -14.392   4.905  -0.017
  542   2HG   MET 100          2HG       MET 100 -15.386   3.470  -0.260
  543   1HE   MET 100          1HE       MET 100 -14.572   4.525   2.618
  544   2HE   MET 100          2HE       MET 100 -14.134   3.016   3.420
  545   3HE   MET 100          3HE       MET 100 -15.539   3.074   2.355
  546    H    THR 101           H        THR 101 -16.018   5.918  -1.597
  547    HA   THR 101           HA       THR 101 -15.213   8.353  -2.649
  548    HB   THR 101           HB       THR 101 -15.777   9.177  -0.428
  549    HG1  THR 101           HG1      THR 101 -17.036   6.654  -0.220
  550   1HG2  THR 101          1HG2      THR 101 -17.708   7.690  -2.189
  551   2HG2  THR 101          2HG2      THR 101 -17.164   9.354  -2.403
  552   3HG2  THR 101          3HG2      THR 101 -18.136   8.919  -0.998
  553    HA   PRO 102           HA       PRO 102 -11.146   9.057  -1.318
  554   1HB   PRO 102          1HB       PRO 102 -11.235  11.720  -0.583
  555   2HB   PRO 102          2HB       PRO 102 -11.061  11.123  -2.234
  556   1HG   PRO 102          1HG       PRO 102 -13.496  12.104  -0.820
  557   2HG   PRO 102          2HG       PRO 102 -13.005  12.330  -2.508
  558   1HD   PRO 102          1HD       PRO 102 -14.897  10.555  -1.794
  559   2HD   PRO 102          2HD       PRO 102 -13.785  10.257  -3.145
  560    H    THR 103           H        THR 103 -11.634   7.626   0.569
  561    HA   THR 103           HA       THR 103 -11.928   8.863   3.128
  562    HB   THR 103           HB       THR 103 -10.926   6.822   3.874
  563    HG1  THR 103           HG1      THR 103 -11.576   5.721   1.414
  564   1HG2  THR 103          1HG2      THR 103 -13.005   5.641   3.467
  565   2HG2  THR 103          2HG2      THR 103 -13.425   6.793   2.198
  566   3HG2  THR 103          3HG2      THR 103 -13.312   7.328   3.875
  567    H    LYS 104           H        LYS 104 -10.332   9.122   4.752
  568    HA   LYS 104           HA       LYS 104  -7.663   9.643   3.626
  569   1HB   LYS 104          1HB       LYS 104  -8.886  10.678   6.191
  570   2HB   LYS 104          2HB       LYS 104  -7.316  11.126   5.544
  571   1HG   LYS 104          1HG       LYS 104  -8.492  12.045   3.542
  572   2HG   LYS 104          2HG       LYS 104 -10.015  11.750   4.380
  573   1HD   LYS 104          1HD       LYS 104  -7.782  13.487   5.432
  574   2HD   LYS 104          2HD       LYS 104  -9.204  14.086   4.582
  575   1HE   LYS 104          1HE       LYS 104  -9.709  14.384   6.846
  576   2HE   LYS 104          2HE       LYS 104 -10.571  12.918   6.390
  577   1HZ   LYS 104          1HZ       LYS 104  -9.044  11.584   7.541
  578   2HZ   LYS 104          2HZ       LYS 104  -9.301  12.902   8.572
  579   3HZ   LYS 104          3HZ       LYS 104  -7.888  12.821   7.641
  580    H    VAL 105           H        VAL 105  -6.104   8.260   4.099
  581    HA   VAL 105           HA       VAL 105  -6.329   6.780   6.637
  582    HB   VAL 105           HB       VAL 105  -5.022   5.163   5.724
  583   1HG1  VAL 105          1HG1      VAL 105  -7.449   4.985   5.704
  584   2HG1  VAL 105          2HG1      VAL 105  -6.757   4.242   4.262
  585   3HG1  VAL 105          3HG1      VAL 105  -7.510   5.833   4.159
  586   1HG2  VAL 105          1HG2      VAL 105  -3.811   6.462   4.059
  587   2HG2  VAL 105          2HG2      VAL 105  -5.301   6.676   3.140
  588   3HG2  VAL 105          3HG2      VAL 105  -4.611   5.066   3.340
  589    H    LYS 106           H        LYS 106  -4.305   6.216   7.658
  590    HA   LYS 106           HA       LYS 106  -2.069   7.962   6.871
  591   1HB   LYS 106          1HB       LYS 106  -3.043   8.464   9.128
  592   2HB   LYS 106          2HB       LYS 106  -2.620   6.832   9.626
  593   1HG   LYS 106          1HG       LYS 106  -0.271   7.303   9.304
  594   2HG   LYS 106          2HG       LYS 106  -0.653   8.914   8.698
  595   1HD   LYS 106          1HD       LYS 106  -1.319   7.912  11.463
  596   2HD   LYS 106          2HD       LYS 106   0.086   8.899  11.065
  597   1HE   LYS 106          1HE       LYS 106  -2.798   9.698  10.672
  598   2HE   LYS 106          2HE       LYS 106  -1.751  10.244  11.979
  599   1HZ   LYS 106          1HZ       LYS 106  -0.305  11.292  10.342
  600   2HZ   LYS 106          2HZ       LYS 106  -1.890  11.884  10.215
  601   3HZ   LYS 106          3HZ       LYS 106  -1.315  10.764   9.089
  602    H    VAL 107           H        VAL 107  -0.458   6.850   5.976
  603    HA   VAL 107           HA       VAL 107  -0.552   3.946   6.331
  604    HB   VAL 107           HB       VAL 107  -1.089   4.760   4.266
  605   1HG1  VAL 107          1HG1      VAL 107   0.243   6.788   4.190
  606   2HG1  VAL 107          2HG1      VAL 107   0.649   5.731   2.837
  607   3HG1  VAL 107          3HG1      VAL 107   1.726   5.832   4.229
  608   1HG2  VAL 107          1HG2      VAL 107  -0.126   2.565   4.527
  609   2HG2  VAL 107          2HG2      VAL 107   1.496   3.247   4.404
  610   3HG2  VAL 107          3HG2      VAL 107   0.404   3.313   3.021
  611    H    HIS 108           H        HIS 108   1.278   2.823   6.742
  612    HA   HIS 108           HA       HIS 108   3.677   4.441   7.305
  613   1HB   HIS 108          1HB       HIS 108   2.589   3.421   9.315
  614   2HB   HIS 108          2HB       HIS 108   2.847   1.830   8.612
  615    HD1  HIS 108           HD1      HIS 108   4.201   1.451  10.906
  616    HD2  HIS 108           HD2      HIS 108   5.912   4.079   8.170
  617    HE1  HIS 108           HE1      HIS 108   6.604   1.702  11.609
  618    HE2  HIS 108           HE2      HIS 108   7.565   3.442  10.056
  619    H    MET 109           H        MET 109   5.046   4.170   5.725
  620    HA   MET 109           HA       MET 109   5.294   1.555   4.396
  621   1HB   MET 109          1HB       MET 109   4.945   3.534   2.966
  622   2HB   MET 109          2HB       MET 109   6.387   4.279   3.634
  623   1HG   MET 109          1HG       MET 109   6.860   3.379   1.449
  624   2HG   MET 109          2HG       MET 109   7.745   2.468   2.677
  625   1HE   MET 109          1HE       MET 109   3.928   0.966   0.569
  626   2HE   MET 109          2HE       MET 109   4.744   2.473   0.160
  627   3HE   MET 109          3HE       MET 109   3.945   2.302   1.723
  628    H    LYS 110           H        LYS 110   7.094   0.302   4.688
  629    HA   LYS 110           HA       LYS 110   9.549   1.462   5.660
  630   1HB   LYS 110          1HB       LYS 110   9.667   0.205   7.749
  631   2HB   LYS 110          2HB       LYS 110   8.295   1.300   7.750
  632   1HG   LYS 110          1HG       LYS 110   6.823  -0.605   7.191
  633   2HG   LYS 110          2HG       LYS 110   8.219  -1.676   7.312
  634   1HD   LYS 110          1HD       LYS 110   7.081   0.038   9.519
  635   2HD   LYS 110          2HD       LYS 110   6.940  -1.714   9.379
  636   1HE   LYS 110          1HE       LYS 110   9.513  -0.172   9.708
  637   2HE   LYS 110          2HE       LYS 110   8.683  -1.067  10.979
  638   1HZ   LYS 110          1HZ       LYS 110  10.466  -2.382  10.095
  639   2HZ   LYS 110          2HZ       LYS 110   9.887  -2.200   8.518
  640   3HZ   LYS 110          3HZ       LYS 110   8.992  -3.094   9.646
  641    H    LYS 111           H        LYS 111  11.310   0.153   5.415
  642    HA   LYS 111           HA       LYS 111  10.972  -1.897   3.392
  643   1HB   LYS 111          1HB       LYS 111  12.658   0.007   3.376
  644   2HB   LYS 111          2HB       LYS 111  13.507  -0.829   4.663
  645   1HG   LYS 111          1HG       LYS 111  13.769  -2.770   3.109
  646   2HG   LYS 111          2HG       LYS 111  13.104  -1.743   1.833
  647   1HD   LYS 111          1HD       LYS 111  14.914  -0.080   2.351
  648   2HD   LYS 111          2HD       LYS 111  15.626  -1.286   3.423
  649   1HE   LYS 111          1HE       LYS 111  16.771  -1.441   1.355
  650   2HE   LYS 111          2HE       LYS 111  15.705  -2.841   1.461
  651   1HZ   LYS 111          1HZ       LYS 111  15.647  -1.835  -0.738
  652   2HZ   LYS 111          2HZ       LYS 111  15.137  -0.363  -0.076
  653   3HZ   LYS 111          3HZ       LYS 111  14.135  -1.722   0.014
  654    H    ALA 112           H        ALA 112  10.773  -4.022   3.913
  655    HA   ALA 112           HA       ALA 112  12.608  -5.359   5.582
  656   1HB   ALA 112          1HB       ALA 112   9.907  -4.958   6.861
  657   2HB   ALA 112          2HB       ALA 112  11.413  -4.211   7.389
  658   3HB   ALA 112          3HB       ALA 112  11.216  -5.962   7.481
  659    H    LEU 113           H        LEU 113  12.735  -7.048   4.269
  660    HA   LEU 113           HA       LEU 113  11.215  -9.257   4.600
  661   1HB   LEU 113          1HB       LEU 113   9.365  -8.063   3.436
  662   2HB   LEU 113          2HB       LEU 113  10.361  -7.954   2.002
  663    HG   LEU 113           HG       LEU 113  10.422 -10.467   1.944
  664   1HD1  LEU 113          1HD1      LEU 113   8.331 -10.188   4.092
  665   2HD1  LEU 113          2HD1      LEU 113   9.940 -10.882   4.286
  666   3HD1  LEU 113          3HD1      LEU 113   8.754 -11.679   3.252
  667   1HD2  LEU 113          1HD2      LEU 113   8.885  -9.186   0.539
  668   2HD2  LEU 113          2HD2      LEU 113   7.684  -9.211   1.831
  669   3HD2  LEU 113          3HD2      LEU 113   8.173 -10.716   1.052
  670    H    SER 114           H        SER 114  11.592  -9.022   1.237
  671    HA   SER 114           HA       SER 114  14.103 -10.446   1.291
  672   1HB   SER 114          1HB       SER 114  12.650  -9.468  -1.169
  673   2HB   SER 114          2HB       SER 114  13.707 -10.871  -1.007
  674    HG   SER 114           HG       SER 114  11.446 -11.401  -1.072
  675    H    GLY 115           H        GLY 115  13.776  -7.538   2.054
  676   1HA   GLY 115          1HA       GLY 115  15.272  -5.754   1.962
  677   2HA   GLY 115          2HA       GLY 115  16.032  -6.493   0.557
  678    H    ASP 116           H        ASP 116  14.159  -6.748  -1.267
  679    HA   ASP 116           HA       ASP 116  13.569  -3.966  -1.889
  680   1HB   ASP 116          1HB       ASP 116  14.856  -5.418  -3.470
  681   2HB   ASP 116          2HB       ASP 116  13.410  -6.394  -3.690
  682    H    SER 117           H        SER 117  11.904  -5.444  -0.004
  683    HA   SER 117           HA       SER 117   9.429  -4.614  -1.161
  684   1HB   SER 117          1HB       SER 117   9.286  -6.954  -1.721
  685   2HB   SER 117          2HB       SER 117   9.774  -7.421  -0.086
  686    HG   SER 117           HG       SER 117   7.414  -5.974  -0.710
  687    H    TYR 118           H        TYR 118   7.892  -3.970   0.354
  688    HA   TYR 118           HA       TYR 118   9.150  -3.294   2.931
  689   1HB   TYR 118          1HB       TYR 118   7.298  -1.537   1.304
  690   2HB   TYR 118          2HB       TYR 118   8.339  -1.066   2.649
  691    HD1  TYR 118           HD1      TYR 118   8.223  -1.907  -0.916
  692    HD2  TYR 118           HD2      TYR 118  10.712  -0.751   2.323
  693    HE1  TYR 118           HE1      TYR 118  10.055  -1.436  -2.498
  694    HE2  TYR 118           HE2      TYR 118  12.542  -0.267   0.760
  695    HH   TYR 118           HH       TYR 118  12.098  -0.198  -2.641
  696    H    TRP 119           H        TRP 119   7.558  -2.641   4.565
  697    HA   TRP 119           HA       TRP 119   5.052  -4.146   4.338
  698   1HB   TRP 119          1HB       TRP 119   6.667  -3.169   6.684
  699   2HB   TRP 119          2HB       TRP 119   4.965  -3.573   6.872
  700    HD1  TRP 119           HD1      TRP 119   8.383  -5.144   6.462
  701    HE1  TRP 119           HE1      TRP 119   8.199  -7.689   6.806
  702    HE3  TRP 119           HE3      TRP 119   3.286  -5.566   6.576
  703    HZ2  TRP 119           HZ2      TRP 119   6.152  -9.615   7.083
  704    HZ3  TRP 119           HZ3      TRP 119   2.297  -7.798   6.883
  705    HH2  TRP 119           HH2      TRP 119   3.702  -9.782   7.130
  706    H    VAL 120           H        VAL 120   3.537  -2.883   3.479
  707    HA   VAL 120           HA       VAL 120   3.369  -0.118   4.437
  708    HB   VAL 120           HB       VAL 120   3.428  -0.333   2.247
  709   1HG1  VAL 120          1HG1      VAL 120   1.045  -2.161   2.424
  710   2HG1  VAL 120          2HG1      VAL 120   2.685  -2.643   1.993
  711   3HG1  VAL 120          3HG1      VAL 120   1.785  -1.549   0.944
  712   1HG2  VAL 120          1HG2      VAL 120   1.359   0.774   1.638
  713   2HG2  VAL 120          2HG2      VAL 120   1.995   1.386   3.166
  714   3HG2  VAL 120          3HG2      VAL 120   0.632   0.265   3.162
  715    H    PHE 121           H        PHE 121   2.210   0.167   6.172
  716    HA   PHE 121           HA       PHE 121  -0.091  -1.579   6.722
  717   1HB   PHE 121          1HB       PHE 121   1.377   0.316   8.574
  718   2HB   PHE 121          2HB       PHE 121   0.088  -0.785   9.039
  719    HD1  PHE 121           HD1      PHE 121   3.598  -0.355   8.618
  720    HD2  PHE 121           HD2      PHE 121   0.516  -3.281   8.784
  721    HE1  PHE 121           HE1      PHE 121   5.272  -2.081   9.132
  722    HE2  PHE 121           HE2      PHE 121   2.184  -5.017   9.297
  723    HZ   PHE 121           HZ       PHE 121   4.567  -4.416   9.475
  724    H    VAL 122           H        VAL 122  -2.095  -0.788   6.520
  725    HA   VAL 122           HA       VAL 122  -2.368   2.135   6.252
  726    HB   VAL 122           HB       VAL 122  -4.040   0.044   5.208
  727   1HG1  VAL 122          1HG1      VAL 122  -5.210   2.130   5.632
  728   2HG1  VAL 122          2HG1      VAL 122  -4.969   1.900   3.901
  729   3HG1  VAL 122          3HG1      VAL 122  -3.948   3.029   4.791
  730   1HG2  VAL 122          1HG2      VAL 122  -1.841  -0.020   4.183
  731   2HG2  VAL 122          2HG2      VAL 122  -1.924   1.714   3.872
  732   3HG2  VAL 122          3HG2      VAL 122  -3.047   0.618   3.068
  733    H    LYS 123           H        LYS 123  -3.450   3.094   7.813
  734    HA   LYS 123           HA       LYS 123  -5.867   1.803   8.830
  735   1HB   LYS 123          1HB       LYS 123  -5.384   2.757  11.108
  736   2HB   LYS 123          2HB       LYS 123  -4.356   1.418  10.630
  737   1HG   LYS 123          1HG       LYS 123  -2.564   2.990  10.084
  738   2HG   LYS 123          2HG       LYS 123  -3.602   4.332  10.572
  739   1HD   LYS 123          1HD       LYS 123  -3.701   3.491  12.832
  740   2HD   LYS 123          2HD       LYS 123  -2.798   2.048  12.371
  741   1HE   LYS 123          1HE       LYS 123  -0.855   3.433  11.840
  742   2HE   LYS 123          2HE       LYS 123  -1.760   4.880  12.289
  743   1HZ   LYS 123          1HZ       LYS 123  -1.878   4.130  14.540
  744   2HZ   LYS 123          2HZ       LYS 123  -0.257   4.031  14.056
  745   3HZ   LYS 123          3HZ       LYS 123  -1.202   2.625  14.145
  746    H    ARG 124           H        ARG 124  -7.579   3.165   9.059
  747    HA   ARG 124           HA       ARG 124  -7.347   5.568   7.500
  748   1HB   ARG 124          1HB       ARG 124  -9.323   3.735   7.797
  749   2HB   ARG 124          2HB       ARG 124  -9.899   4.996   8.881
  750   1HG   ARG 124          1HG       ARG 124  -9.245   6.470   6.720
  751   2HG   ARG 124          2HG       ARG 124  -9.717   4.955   5.951
  752   1HD   ARG 124          1HD       ARG 124 -11.669   6.283   6.079
  753   2HD   ARG 124          2HD       ARG 124 -11.821   5.047   7.329
  754    HE   ARG 124           HE       ARG 124 -10.637   7.365   8.415
  755   1HH1  ARG 124          1HH1      ARG 124 -13.714   6.154   7.269
  756   2HH1  ARG 124          2HH1      ARG 124 -14.650   7.263   8.225
  757   1HH2  ARG 124          1HH2      ARG 124 -11.850   8.790   9.712
  758   2HH2  ARG 124          2HH2      ARG 124 -13.590   8.730   9.651
  759    H    VAL 125           H        VAL 125  -7.750   7.671   8.137
  760    HA   VAL 125           HA       VAL 125  -7.948   8.105  11.037
  761    HB   VAL 125           HB       VAL 125  -7.091  10.295  10.472
  762   1HG1  VAL 125          1HG1      VAL 125  -5.419   7.786  10.400
  763   2HG1  VAL 125          2HG1      VAL 125  -6.004   8.606  11.848
  764   3HG1  VAL 125          3HG1      VAL 125  -4.831   9.401  10.799
  765   1HG2  VAL 125          1HG2      VAL 125  -7.181  10.057   8.025
  766   2HG2  VAL 125          2HG2      VAL 125  -6.021   8.733   8.130
  767   3HG2  VAL 125          3HG2      VAL 125  -5.549  10.360   8.620
  768    H2   HC4 169           H2       HC4 169  -6.500   3.481  -2.585
  769    H3   HC4 169           H3       HC4 169  -6.612   1.518  -4.817
  770    H2'  HC4 169           H2'      HC4 169  -6.757  -0.860  -4.049
  771    H3'  HC4 169           H3'      HC4 169  -7.148  -2.532  -2.295
  772    H5'  HC4 169           H5'      HC4 169  -6.969   0.541   0.652
  773    H6'  HC4 169           H6'      HC4 169  -6.714   2.222  -1.125
  Start of MODEL   15
    1    H    LEU  26           H        LEU  26 -12.811  -6.833  10.959
    2    HA   LEU  26           HA       LEU  26 -10.605  -6.795  11.932
    3   1HB   LEU  26          1HB       LEU  26  -9.776  -6.685   9.034
    4   2HB   LEU  26          2HB       LEU  26  -8.724  -6.183  10.331
    5    HG   LEU  26           HG       LEU  26  -8.099  -8.330   9.664
    6   1HD1  LEU  26          1HD1      LEU  26  -8.376  -9.634  11.715
    7   2HD1  LEU  26          2HD1      LEU  26  -9.663  -8.540  12.224
    8   3HD1  LEU  26          3HD1      LEU  26  -8.013  -7.942  12.051
    9   1HD2  LEU  26          1HD2      LEU  26  -9.623 -10.271   9.729
   10   2HD2  LEU  26          2HD2      LEU  26 -10.071  -9.075   8.515
   11   3HD2  LEU  26          3HD2      LEU  26 -10.965  -9.166  10.034
   12    H    ALA  27           H        ALA  27  -9.088  -4.678  11.620
   13    HA   ALA  27           HA       ALA  27 -10.958  -2.473  11.024
   14   1HB   ALA  27          1HB       ALA  27 -10.154  -1.296  13.002
   15   2HB   ALA  27          2HB       ALA  27  -9.106  -2.659  13.397
   16   3HB   ALA  27          3HB       ALA  27 -10.860  -2.853  13.439
   17    H    PHE  28           H        PHE  28  -7.533  -3.121  11.804
   18    HA   PHE  28           HA       PHE  28  -6.785  -0.887  10.048
   19   1HB   PHE  28          1HB       PHE  28  -5.164  -2.309  12.172
   20   2HB   PHE  28          2HB       PHE  28  -4.615  -0.936  11.216
   21    HD1  PHE  28           HD1      PHE  28  -5.862   1.253  11.443
   22    HD2  PHE  28           HD2      PHE  28  -6.367  -1.994  14.144
   23    HE1  PHE  28           HE1      PHE  28  -6.806   2.793  13.111
   24    HE2  PHE  28           HE2      PHE  28  -7.315  -0.461  15.818
   25    HZ   PHE  28           HZ       PHE  28  -7.537   1.937  15.301
   26    H    GLY  29           H        GLY  29  -5.136  -1.144   8.497
   27   1HA   GLY  29          1HA       GLY  29  -4.952  -3.922   7.546
   28   2HA   GLY  29          2HA       GLY  29  -4.858  -2.493   6.528
   29    H    ALA  30           H        ALA  30  -3.035  -4.595   6.478
   30    HA   ALA  30           HA       ALA  30  -0.559  -3.203   6.816
   31   1HB   ALA  30          1HB       ALA  30  -1.065  -5.646   8.521
   32   2HB   ALA  30          2HB       ALA  30  -0.851  -3.997   9.109
   33   3HB   ALA  30          3HB       ALA  30   0.488  -4.833   8.323
   34    H    ILE  31           H        ILE  31   0.359  -3.691   4.909
   35    HA   ILE  31           HA       ILE  31   0.187  -6.465   3.965
   36    HB   ILE  31           HB       ILE  31   0.153  -5.519   1.790
   37   1HG1  ILE  31          1HG1      ILE  31  -0.884  -3.152   3.339
   38   2HG1  ILE  31          2HG1      ILE  31   0.581  -3.191   2.365
   39   1HG2  ILE  31          1HG2      ILE  31  -2.198  -5.347   3.671
   40   2HG2  ILE  31          2HG2      ILE  31  -1.641  -6.790   2.824
   41   3HG2  ILE  31          3HG2      ILE  31  -2.309  -5.434   1.914
   42   1HD1  ILE  31          1HD1      ILE  31  -0.733  -3.540   0.359
   43   2HD1  ILE  31          2HD1      ILE  31  -1.273  -2.092   1.212
   44   3HD1  ILE  31          3HD1      ILE  31  -2.212  -3.582   1.318
   45    H    GLN  32           H        GLN  32   1.725  -6.898   2.141
   46    HA   GLN  32           HA       GLN  32   4.200  -5.340   2.497
   47   1HB   GLN  32          1HB       GLN  32   4.339  -7.548   3.594
   48   2HB   GLN  32          2HB       GLN  32   3.970  -8.326   2.062
   49   1HG   GLN  32          1HG       GLN  32   6.030  -7.479   1.111
   50   2HG   GLN  32          2HG       GLN  32   6.387  -6.619   2.608
   51   1HE2  GLN  32          1HE2      GLN  32   8.292  -7.697   2.960
   52   2HE2  GLN  32          2HE2      GLN  32   8.362  -9.361   3.428
   53    H    LEU  33           H        LEU  33   5.229  -4.700   0.690
   54    HA   LEU  33           HA       LEU  33   4.434  -5.855  -1.859
   55   1HB   LEU  33          1HB       LEU  33   3.969  -3.819  -2.934
   56   2HB   LEU  33          2HB       LEU  33   3.048  -3.801  -1.456
   57    HG   LEU  33           HG       LEU  33   5.609  -2.284  -1.971
   58   1HD1  LEU  33          1HD1      LEU  33   3.721  -1.371  -3.177
   59   2HD1  LEU  33          2HD1      LEU  33   4.160  -0.310  -1.837
   60   3HD1  LEU  33          3HD1      LEU  33   2.753  -1.365  -1.704
   61   1HD2  LEU  33          1HD2      LEU  33   5.577  -2.783   0.354
   62   2HD2  LEU  33          2HD2      LEU  33   3.856  -2.418   0.475
   63   3HD2  LEU  33          3HD2      LEU  33   5.016  -1.124   0.176
   64    H    ASP  34           H        ASP  34   5.947  -5.357  -3.631
   65    HA   ASP  34           HA       ASP  34   8.628  -4.868  -2.532
   66   1HB   ASP  34          1HB       ASP  34   9.540  -6.031  -4.490
   67   2HB   ASP  34          2HB       ASP  34   8.428  -7.048  -3.589
   68    H    GLY  35           H        GLY  35  10.198  -3.941  -4.227
   69   1HA   GLY  35          1HA       GLY  35   9.481  -1.246  -4.410
   70   2HA   GLY  35          2HA       GLY  35  10.891  -1.974  -5.151
   71    H    ASP  36           H        ASP  36   8.692  -3.720  -6.639
   72    HA   ASP  36           HA       ASP  36   8.635  -1.917  -8.919
   73   1HB   ASP  36          1HB       ASP  36   9.226  -4.356  -9.149
   74   2HB   ASP  36          2HB       ASP  36   7.552  -4.735  -8.753
   75    H    GLY  37           H        GLY  37   6.572  -2.925  -6.375
   76   1HA   GLY  37          1HA       GLY  37   4.554  -1.616  -6.021
   77   2HA   GLY  37          2HA       GLY  37   4.289  -1.662  -7.758
   78    H    ASN  38           H        ASN  38   5.438  -4.624  -6.925
   79    HA   ASN  38           HA       ASN  38   2.869  -5.848  -7.272
   80   1HB   ASN  38          1HB       ASN  38   5.527  -7.101  -6.537
   81   2HB   ASN  38          2HB       ASN  38   4.064  -7.991  -6.957
   82   1HD2  ASN  38          1HD2      ASN  38   6.740  -6.199  -8.111
   83   2HD2  ASN  38          2HD2      ASN  38   6.447  -6.449  -9.798
   84    H    ILE  39           H        ILE  39   1.564  -6.703  -5.792
   85    HA   ILE  39           HA       ILE  39   2.254  -6.374  -2.997
   86    HB   ILE  39           HB       ILE  39  -0.067  -7.614  -4.134
   87   1HG1  ILE  39          1HG1      ILE  39   0.422  -4.697  -3.533
   88   2HG1  ILE  39          2HG1      ILE  39   0.334  -5.389  -5.150
   89   1HG2  ILE  39          1HG2      ILE  39   0.569  -6.207  -1.534
   90   2HG2  ILE  39          2HG2      ILE  39   0.324  -7.939  -1.743
   91   3HG2  ILE  39          3HG2      ILE  39  -1.016  -6.823  -1.999
   92   1HD1  ILE  39          1HD1      ILE  39  -1.977  -6.051  -4.738
   93   2HD1  ILE  39          2HD1      ILE  39  -1.747  -4.313  -4.542
   94   3HD1  ILE  39          3HD1      ILE  39  -1.888  -5.349  -3.122
   95    H    LEU  40           H        LEU  40   2.342  -8.113  -1.527
   96    HA   LEU  40           HA       LEU  40   2.935 -10.704  -2.793
   97   1HB   LEU  40          1HB       LEU  40   4.008  -9.385  -0.319
   98   2HB   LEU  40          2HB       LEU  40   4.243 -11.094  -0.640
   99    HG   LEU  40           HG       LEU  40   5.382 -10.432  -2.795
  100   1HD1  LEU  40          1HD1      LEU  40   4.494  -8.186  -3.010
  101   2HD1  LEU  40          2HD1      LEU  40   6.259  -8.164  -2.959
  102   3HD1  LEU  40          3HD1      LEU  40   5.330  -7.702  -1.533
  103   1HD2  LEU  40          1HD2      LEU  40   6.638  -9.466  -0.234
  104   2HD2  LEU  40          2HD2      LEU  40   7.490  -9.897  -1.718
  105   3HD2  LEU  40          3HD2      LEU  40   6.616 -11.133  -0.811
  106    H    GLN  41           H        GLN  41   2.003  -9.464   0.398
  107    HA   GLN  41           HA       GLN  41  -0.127 -11.456   0.477
  108   1HB   GLN  41          1HB       GLN  41   0.478 -11.943   2.871
  109   2HB   GLN  41          2HB       GLN  41   1.598 -12.565   1.671
  110   1HG   GLN  41          1HG       GLN  41   3.103 -10.683   2.113
  111   2HG   GLN  41          2HG       GLN  41   1.986 -10.092   3.343
  112   1HE2  GLN  41          1HE2      GLN  41   4.780 -10.974   3.566
  113   2HE2  GLN  41          2HE2      GLN  41   4.773 -12.242   4.746
  114    H    TYR  42           H        TYR  42  -1.950 -10.620   1.034
  115    HA   TYR  42           HA       TYR  42  -2.100  -7.986   2.270
  116   1HB   TYR  42          1HB       TYR  42  -3.908  -9.708   0.689
  117   2HB   TYR  42          2HB       TYR  42  -4.682  -8.772   1.951
  118    HD1  TYR  42           HD1      TYR  42  -5.987  -7.676   0.212
  119    HD2  TYR  42           HD2      TYR  42  -1.745  -7.303   0.346
  120    HE1  TYR  42           HE1      TYR  42  -6.129  -5.717  -1.254
  121    HE2  TYR  42           HE2      TYR  42  -1.881  -5.336  -1.132
  122    HH   TYR  42           HH       TYR  42  -4.746  -3.692  -1.771
  123    H    ASN  43           H        ASN  43  -3.493  -7.621   4.103
  124    HA   ASN  43           HA       ASN  43  -3.906  -9.962   5.808
  125   1HB   ASN  43          1HB       ASN  43  -3.833  -7.009   6.320
  126   2HB   ASN  43          2HB       ASN  43  -4.766  -8.034   7.402
  127   1HD2  ASN  43          1HD2      ASN  43  -3.371  -7.496   9.108
  128   2HD2  ASN  43          2HD2      ASN  43  -1.778  -8.205   9.231
  129    H    ALA  44           H        ALA  44  -6.073 -10.118   6.889
  130    HA   ALA  44           HA       ALA  44  -8.062 -10.217   4.870
  131   1HB   ALA  44          1HB       ALA  44  -8.416 -10.529   7.845
  132   2HB   ALA  44          2HB       ALA  44  -7.954 -11.814   6.729
  133   3HB   ALA  44          3HB       ALA  44  -9.540 -11.055   6.594
  134    H    ALA  45           H        ALA  45  -7.037  -7.690   6.840
  135    HA   ALA  45           HA       ALA  45  -9.421  -6.274   7.311
  136   1HB   ALA  45          1HB       ALA  45  -7.980  -4.333   7.650
  137   2HB   ALA  45          2HB       ALA  45  -6.626  -5.205   6.931
  138   3HB   ALA  45          3HB       ALA  45  -7.325  -5.760   8.452
  139    H    GLU  46           H        GLU  46  -7.313  -6.479   4.504
  140    HA   GLU  46           HA       GLU  46  -8.399  -4.233   3.141
  141   1HB   GLU  46          1HB       GLU  46  -7.113  -6.658   1.879
  142   2HB   GLU  46          2HB       GLU  46  -7.243  -5.045   1.195
  143   1HG   GLU  46          1HG       GLU  46  -5.555  -5.897   3.533
  144   2HG   GLU  46          2HG       GLU  46  -4.999  -5.409   1.933
  145    HE2  GLU  46           HE2      GLU  46  -6.040  -2.268   1.782
  146    H    GLY  47           H        GLY  47  -9.426  -7.465   3.642
  147   1HA   GLY  47          1HA       GLY  47 -11.272  -7.690   1.494
  148   2HA   GLY  47          2HA       GLY  47 -11.304  -8.617   2.989
  149    H    ASP  48           H        ASP  48 -11.420  -6.215   4.665
  150    HA   ASP  48           HA       ASP  48 -14.270  -5.803   4.568
  151   1HB   ASP  48          1HB       ASP  48 -12.142  -4.661   6.391
  152   2HB   ASP  48          2HB       ASP  48 -13.861  -4.320   6.555
  153    H    ILE  49           H        ILE  49 -11.385  -4.031   3.739
  154    HA   ILE  49           HA       ILE  49 -12.706  -1.522   3.361
  155    HB   ILE  49           HB       ILE  49 -10.233  -2.534   2.318
  156   1HG1  ILE  49          1HG1      ILE  49 -10.265  -2.630   4.700
  157   2HG1  ILE  49          2HG1      ILE  49  -9.270  -1.278   4.184
  158   1HG2  ILE  49          1HG2      ILE  49 -11.342   0.262   2.559
  159   2HG2  ILE  49          2HG2      ILE  49 -11.060  -0.616   1.055
  160   3HG2  ILE  49          3HG2      ILE  49  -9.697  -0.149   2.074
  161   1HD1  ILE  49          1HD1      ILE  49 -10.622  -0.679   6.108
  162   2HD1  ILE  49          2HD1      ILE  49 -12.092  -1.098   5.226
  163   3HD1  ILE  49          3HD1      ILE  49 -11.100   0.260   4.694
  164    H    THR  50           H        THR  50 -11.155  -3.698   0.984
  165    HA   THR  50           HA       THR  50 -13.079  -2.680  -0.995
  166    HB   THR  50           HB       THR  50 -11.054  -2.013  -1.502
  167    HG1  THR  50           HG1      THR  50 -12.325  -2.823  -3.220
  168   1HG2  THR  50          1HG2      THR  50 -10.120  -4.860  -1.218
  169   2HG2  THR  50          2HG2      THR  50  -9.661  -3.494  -0.199
  170   3HG2  THR  50          3HG2      THR  50  -9.176  -3.533  -1.893
  171    H    GLY  51           H        GLY  51 -11.419  -5.565   0.196
  172   1HA   GLY  51          1HA       GLY  51 -12.570  -7.649   0.347
  173   2HA   GLY  51          2HA       GLY  51 -13.571  -7.158  -1.012
  174    H    ARG  52           H        ARG  52 -10.060  -7.389  -0.461
  175    HA   ARG  52           HA       ARG  52  -9.908  -9.047  -2.890
  176   1HB   ARG  52          1HB       ARG  52  -7.705  -7.239  -1.879
  177   2HB   ARG  52          2HB       ARG  52  -7.790  -8.065  -3.429
  178   1HG   ARG  52          1HG       ARG  52  -9.555  -5.801  -2.525
  179   2HG   ARG  52          2HG       ARG  52  -8.240  -5.699  -3.694
  180   1HD   ARG  52          1HD       ARG  52  -9.424  -6.827  -5.320
  181   2HD   ARG  52          2HD       ARG  52 -10.468  -7.634  -4.150
  182    HE   ARG  52           HE       ARG  52 -10.855  -4.798  -4.169
  183   1HH1  ARG  52          1HH1      ARG  52 -11.646  -7.749  -5.893
  184   2HH1  ARG  52          2HH1      ARG  52 -13.185  -7.154  -6.452
  185   1HH2  ARG  52          1HH2      ARG  52 -12.863  -4.018  -4.925
  186   2HH2  ARG  52          2HH2      ARG  52 -13.860  -5.030  -5.928
  187    H    ASP  53           H        ASP  53  -9.113 -11.032  -2.591
  188    HA   ASP  53           HA       ASP  53  -8.452 -11.956   0.005
  189   1HB   ASP  53          1HB       ASP  53  -9.432 -13.409  -1.757
  190   2HB   ASP  53          2HB       ASP  53  -7.916 -13.319  -2.642
  191    HA   PRO  54           HA       PRO  54  -4.219 -10.876   0.580
  192   1HB   PRO  54          1HB       PRO  54  -4.106 -13.641   1.707
  193   2HB   PRO  54          2HB       PRO  54  -3.518 -12.120   2.390
  194   1HG   PRO  54          1HG       PRO  54  -5.778 -13.189   3.269
  195   2HG   PRO  54          2HG       PRO  54  -5.640 -11.436   3.036
  196   1HD   PRO  54          1HD       PRO  54  -7.051 -13.466   1.372
  197   2HD   PRO  54          2HD       PRO  54  -7.481 -11.775   1.701
  198    H    LYS  55           H        LYS  55  -5.124 -13.834  -1.068
  199    HA   LYS  55           HA       LYS  55  -2.355 -14.190  -1.992
  200   1HB   LYS  55          1HB       LYS  55  -4.734 -16.047  -2.205
  201   2HB   LYS  55          2HB       LYS  55  -3.088 -16.426  -2.699
  202   1HG   LYS  55          1HG       LYS  55  -2.322 -16.274  -0.419
  203   2HG   LYS  55          2HG       LYS  55  -3.918 -15.745   0.115
  204   1HD   LYS  55          1HD       LYS  55  -3.291 -18.416  -1.136
  205   2HD   LYS  55          2HD       LYS  55  -3.521 -18.128   0.589
  206   1HE   LYS  55          1HE       LYS  55  -5.559 -17.777  -1.605
  207   2HE   LYS  55          2HE       LYS  55  -5.557 -19.016  -0.352
  208   1HZ   LYS  55          1HZ       LYS  55  -7.055 -17.449   0.424
  209   2HZ   LYS  55          2HZ       LYS  55  -6.134 -16.131  -0.107
  210   3HZ   LYS  55          3HZ       LYS  55  -5.633 -17.022   1.251
  211    H    GLN  56           H        GLN  56  -5.055 -12.598  -3.010
  212    HA   GLN  56           HA       GLN  56  -4.800 -13.397  -5.820
  213   1HB   GLN  56          1HB       GLN  56  -6.812 -11.568  -4.500
  214   2HB   GLN  56          2HB       GLN  56  -6.820 -12.040  -6.193
  215   1HG   GLN  56          1HG       GLN  56  -7.252 -13.821  -3.813
  216   2HG   GLN  56          2HG       GLN  56  -8.444 -13.321  -5.007
  217   1HE2  GLN  56          1HE2      GLN  56  -5.793 -15.420  -4.320
  218   2HE2  GLN  56          2HE2      GLN  56  -5.954 -16.422  -5.714
  219    H    VAL  57           H        VAL  57  -3.322 -11.257  -3.844
  220    HA   VAL  57           HA       VAL  57  -3.254  -9.118  -5.851
  221    HB   VAL  57           HB       VAL  57  -2.029  -7.946  -4.196
  222   1HG1  VAL  57          1HG1      VAL  57  -4.343  -7.500  -4.770
  223   2HG1  VAL  57          2HG1      VAL  57  -4.151  -7.420  -3.019
  224   3HG1  VAL  57          3HG1      VAL  57  -4.887  -8.840  -3.763
  225   1HG2  VAL  57          1HG2      VAL  57  -3.046 -10.225  -2.503
  226   2HG2  VAL  57          2HG2      VAL  57  -2.434  -8.690  -1.885
  227   3HG2  VAL  57          3HG2      VAL  57  -1.363  -9.775  -2.772
  228    H    ILE  58           H        ILE  58  -1.698 -11.733  -5.842
  229    HA   ILE  58           HA       ILE  58   1.025 -10.779  -5.513
  230    HB   ILE  58           HB       ILE  58   0.043 -13.300  -6.493
  231   1HG1  ILE  58          1HG1      ILE  58   0.868 -12.426  -3.724
  232   2HG1  ILE  58          2HG1      ILE  58  -0.777 -12.783  -4.236
  233   1HG2  ILE  58          1HG2      ILE  58   2.361 -12.746  -7.118
  234   2HG2  ILE  58          2HG2      ILE  58   2.291 -14.050  -5.933
  235   3HG2  ILE  58          3HG2      ILE  58   2.728 -12.419  -5.423
  236   1HD1  ILE  58          1HD1      ILE  58   0.192 -14.632  -2.997
  237   2HD1  ILE  58          2HD1      ILE  58   1.507 -14.738  -4.167
  238   3HD1  ILE  58          3HD1      ILE  58  -0.146 -15.096  -4.665
  239    H    GLY  59           H        GLY  59   2.281 -10.051  -7.127
  240   1HA   GLY  59          1HA       GLY  59   2.963  -9.655  -9.324
  241   2HA   GLY  59          2HA       GLY  59   1.666 -10.708  -9.875
  242    H    LYS  60           H        LYS  60   0.379  -8.671  -7.672
  243    HA   LYS  60           HA       LYS  60  -0.865  -7.136  -9.806
  244   1HB   LYS  60          1HB       LYS  60  -1.626  -8.061  -7.105
  245   2HB   LYS  60          2HB       LYS  60  -2.231  -6.477  -7.575
  246   1HG   LYS  60          1HG       LYS  60  -3.925  -7.942  -8.204
  247   2HG   LYS  60          2HG       LYS  60  -3.054  -7.622  -9.705
  248   1HD   LYS  60          1HD       LYS  60  -1.802  -9.712  -9.408
  249   2HD   LYS  60          2HD       LYS  60  -2.715 -10.036  -7.934
  250   1HE   LYS  60          1HE       LYS  60  -3.881 -11.272  -9.495
  251   2HE   LYS  60          2HE       LYS  60  -4.787  -9.760  -9.472
  252   1HZ   LYS  60          1HZ       LYS  60  -4.428 -10.435 -11.725
  253   2HZ   LYS  60          2HZ       LYS  60  -2.757 -10.580 -11.474
  254   3HZ   LYS  60          3HZ       LYS  60  -3.490  -9.051 -11.432
  255    H    ASN  61           H        ASN  61  -0.158  -5.188 -10.222
  256    HA   ASN  61           HA       ASN  61   1.614  -3.839  -8.399
  257   1HB   ASN  61          1HB       ASN  61   1.839  -3.861 -10.936
  258   2HB   ASN  61          2HB       ASN  61   0.490  -2.731 -10.976
  259   1HD2  ASN  61          1HD2      ASN  61   3.334  -2.488 -11.757
  260   2HD2  ASN  61          2HD2      ASN  61   3.922  -1.104 -10.907
  261    H    PHE  62           H        PHE  62   0.672  -3.032  -6.651
  262    HA   PHE  62           HA       PHE  62  -1.950  -2.062  -6.428
  263   1HB   PHE  62          1HB       PHE  62  -0.534  -2.842  -4.548
  264   2HB   PHE  62          2HB       PHE  62   0.445  -1.389  -4.705
  265    HD1  PHE  62           HD1      PHE  62  -0.072   0.466  -3.441
  266    HD2  PHE  62           HD2      PHE  62  -3.073  -2.468  -4.142
  267    HE1  PHE  62           HE1      PHE  62  -1.584   1.656  -1.909
  268    HE2  PHE  62           HE2      PHE  62  -4.592  -1.286  -2.608
  269    HZ   PHE  62           HZ       PHE  62  -3.844   0.758  -1.468
  270    H    PHE  63           H        PHE  63   0.739  -0.562  -7.871
  271    HA   PHE  63           HA       PHE  63  -0.394   2.113  -7.422
  272   1HB   PHE  63          1HB       PHE  63   2.293   1.347  -8.571
  273   2HB   PHE  63          2HB       PHE  63   1.745   2.983  -8.225
  274    HD1  PHE  63           HD1      PHE  63   3.376   0.084  -6.942
  275    HD2  PHE  63           HD2      PHE  63   1.214   3.570  -5.815
  276    HE1  PHE  63           HE1      PHE  63   4.267  -0.104  -4.658
  277    HE2  PHE  63           HE2      PHE  63   2.101   3.386  -3.527
  278    HZ   PHE  63           HZ       PHE  63   3.698   1.575  -2.972
  279    H    LYS  64           H        LYS  64  -1.144  -0.139  -9.470
  280    HA   LYS  64           HA       LYS  64  -1.328   1.630 -11.759
  281   1HB   LYS  64          1HB       LYS  64   0.894   0.485 -11.902
  282   2HB   LYS  64          2HB       LYS  64   0.041  -1.039 -12.009
  283   1HG   LYS  64          1HG       LYS  64  -0.418   1.173 -13.977
  284   2HG   LYS  64          2HG       LYS  64   0.880  -0.001 -14.171
  285   1HD   LYS  64          1HD       LYS  64  -0.776  -1.815 -14.144
  286   2HD   LYS  64          2HD       LYS  64  -2.066  -0.621 -13.976
  287   1HE   LYS  64          1HE       LYS  64  -1.337   0.386 -16.118
  288   2HE   LYS  64          2HE       LYS  64  -0.170  -0.923 -16.296
  289   1HZ   LYS  64          1HZ       LYS  64  -2.072  -2.491 -16.200
  290   2HZ   LYS  64          2HZ       LYS  64  -2.121  -1.455 -17.541
  291   3HZ   LYS  64          3HZ       LYS  64  -3.130  -1.164 -16.209
  292    H    ASP  65           H        ASP  65  -1.840  -1.734 -10.666
  293    HA   ASP  65           HA       ASP  65  -3.869  -2.005 -12.735
  294   1HB   ASP  65          1HB       ASP  65  -2.112  -3.743 -12.460
  295   2HB   ASP  65          2HB       ASP  65  -2.777  -4.120 -10.873
  296    H    VAL  66           H        VAL  66  -3.795  -3.377  -9.465
  297    HA   VAL  66           HA       VAL  66  -6.641  -3.187  -9.312
  298    HB   VAL  66           HB       VAL  66  -6.300  -3.951  -7.142
  299   1HG1  VAL  66          1HG1      VAL  66  -5.144  -5.489  -9.449
  300   2HG1  VAL  66          2HG1      VAL  66  -6.855  -5.368  -9.041
  301   3HG1  VAL  66          3HG1      VAL  66  -5.744  -6.192  -7.947
  302   1HG2  VAL  66          1HG2      VAL  66  -4.200  -4.799  -6.463
  303   2HG2  VAL  66          2HG2      VAL  66  -3.985  -3.095  -6.866
  304   3HG2  VAL  66          3HG2      VAL  66  -3.461  -4.344  -7.995
  305    H    ALA  67           H        ALA  67  -4.773  -0.769  -9.202
  306    HA   ALA  67           HA       ALA  67  -6.397   0.890  -7.638
  307   1HB   ALA  67          1HB       ALA  67  -5.284  -0.244  -5.750
  308   2HB   ALA  67          2HB       ALA  67  -4.921   1.481  -5.805
  309   3HB   ALA  67          3HB       ALA  67  -3.723   0.311  -6.358
  310    HA   PRO  68           HA       PRO  68  -3.752   3.308 -10.404
  311   1HB   PRO  68          1HB       PRO  68  -5.713   4.502 -11.785
  312   2HB   PRO  68          2HB       PRO  68  -5.240   2.831 -12.106
  313   1HG   PRO  68          1HG       PRO  68  -7.640   3.884 -10.724
  314   2HG   PRO  68          2HG       PRO  68  -7.437   2.383 -11.639
  315   1HD   PRO  68          1HD       PRO  68  -7.370   2.709  -8.812
  316   2HD   PRO  68          2HD       PRO  68  -7.028   1.234  -9.736
  317    H    CYS  69           H        CYS  69  -5.697   4.100  -7.794
  318    HA   CYS  69           HA       CYS  69  -5.500   6.980  -8.224
  319   1HB   CYS  69          1HB       CYS  69  -7.044   7.288  -6.552
  320   2HB   CYS  69          2HB       CYS  69  -7.509   5.685  -7.097
  321    H    THR  70           H        THR  70  -3.436   4.746  -7.436
  322    HA   THR  70           HA       THR  70  -2.454   5.791  -4.923
  323    HB   THR  70           HB       THR  70  -0.923   3.975  -5.230
  324    HG1  THR  70           HG1      THR  70  -2.064   2.420  -6.760
  325   1HG2  THR  70          1HG2      THR  70  -2.682   2.382  -4.587
  326   2HG2  THR  70          2HG2      THR  70  -3.901   3.557  -5.082
  327   3HG2  THR  70          3HG2      THR  70  -2.822   3.919  -3.735
  328    H    ASP  71           H        ASP  71  -1.180   5.145  -8.192
  329    HA   ASP  71           HA       ASP  71   1.389   6.175  -7.821
  330   1HB   ASP  71          1HB       ASP  71   0.867   4.937  -9.826
  331   2HB   ASP  71          2HB       ASP  71  -0.325   6.137 -10.313
  332    H    SER  72           H        SER  72   1.931   8.063  -7.124
  333    HA   SER  72           HA       SER  72   1.150  10.549  -8.136
  334   1HB   SER  72          1HB       SER  72  -1.031   9.959  -7.074
  335   2HB   SER  72          2HB       SER  72  -0.208   9.775  -5.527
  336    HG   SER  72           HG       SER  72  -1.265  11.849  -5.907
  337    HA   PRO  73           HA       PRO  73   4.927  11.469  -5.986
  338   1HB   PRO  73          1HB       PRO  73   3.712  14.139  -5.467
  339   2HB   PRO  73          2HB       PRO  73   5.267  13.731  -6.198
  340   1HG   PRO  73          1HG       PRO  73   3.244  14.562  -7.707
  341   2HG   PRO  73          2HG       PRO  73   4.329  13.277  -8.268
  342   1HD   PRO  73          1HD       PRO  73   1.547  13.077  -7.197
  343   2HD   PRO  73          2HD       PRO  73   2.332  12.139  -8.485
  344    H    GLU  74           H        GLU  74   1.839  12.195  -4.503
  345    HA   GLU  74           HA       GLU  74   3.024  12.450  -1.862
  346   1HB   GLU  74          1HB       GLU  74   0.615  12.856  -1.180
  347   2HB   GLU  74          2HB       GLU  74   1.335  14.044  -2.259
  348   1HG   GLU  74          1HG       GLU  74   0.233  12.921  -4.161
  349   2HG   GLU  74          2HG       GLU  74  -0.555  11.832  -3.023
  350    H    PHE  75           H        PHE  75   2.446   9.864  -3.647
  351    HA   PHE  75           HA       PHE  75   1.990   8.242  -1.256
  352   1HB   PHE  75          1HB       PHE  75  -0.206   8.446  -2.441
  353   2HB   PHE  75          2HB       PHE  75   0.533   7.701  -3.853
  354    HD1  PHE  75           HD1      PHE  75   0.622   5.378  -4.063
  355    HD2  PHE  75           HD2      PHE  75  -0.270   7.107  -0.285
  356    HE1  PHE  75           HE1      PHE  75   0.056   3.152  -3.180
  357    HE2  PHE  75           HE2      PHE  75  -0.833   4.887   0.608
  358    HZ   PHE  75           HZ       PHE  75  -0.669   2.904  -0.842
  359    H    TYR  76           H        TYR  76   2.183   7.477  -4.720
  360    HA   TYR  76           HA       TYR  76   4.108   5.440  -4.371
  361   1HB   TYR  76          1HB       TYR  76   2.578   5.580  -6.319
  362   2HB   TYR  76          2HB       TYR  76   3.459   6.995  -6.883
  363    HD1  TYR  76           HD1      TYR  76   4.645   6.455  -8.793
  364    HD2  TYR  76           HD2      TYR  76   4.578   3.670  -5.578
  365    HE1  TYR  76           HE1      TYR  76   6.201   5.002 -10.026
  366    HE2  TYR  76           HE2      TYR  76   6.129   2.211  -6.804
  367    HH   TYR  76           HH       TYR  76   6.841   1.778  -9.072
  368    H    GLY  77           H        GLY  77   4.345   8.867  -5.086
  369   1HA   GLY  77          1HA       GLY  77   7.093   8.962  -5.704
  370   2HA   GLY  77          2HA       GLY  77   6.142  10.297  -5.070
  371    H    LYS  78           H        LYS  78   5.379   8.991  -2.625
  372    HA   LYS  78           HA       LYS  78   7.758   9.460  -1.096
  373   1HB   LYS  78          1HB       LYS  78   5.071   8.411  -0.183
  374   2HB   LYS  78          2HB       LYS  78   6.352   9.019   0.858
  375   1HG   LYS  78          1HG       LYS  78   4.753  10.595  -1.148
  376   2HG   LYS  78          2HG       LYS  78   4.651  10.697   0.611
  377   1HD   LYS  78          1HD       LYS  78   6.947  11.517   0.708
  378   2HD   LYS  78          2HD       LYS  78   7.081  11.379  -1.045
  379   1HE   LYS  78          1HE       LYS  78   6.657  13.677  -0.444
  380   2HE   LYS  78          2HE       LYS  78   5.256  13.018  -1.286
  381   1HZ   LYS  78          1HZ       LYS  78   4.133  12.734   0.808
  382   2HZ   LYS  78          2HZ       LYS  78   4.654  14.344   0.675
  383   3HZ   LYS  78          3HZ       LYS  78   5.500  13.257   1.667
  384    H    PHE  79           H        PHE  79   5.987   6.697  -2.251
  385    HA   PHE  79           HA       PHE  79   7.349   4.680  -0.829
  386   1HB   PHE  79          1HB       PHE  79   5.316   4.208  -2.086
  387   2HB   PHE  79          2HB       PHE  79   6.107   4.663  -3.589
  388    HD1  PHE  79           HD1      PHE  79   6.075   2.161  -0.876
  389    HD2  PHE  79           HD2      PHE  79   7.391   3.123  -4.804
  390    HE1  PHE  79           HE1      PHE  79   6.775  -0.173  -1.208
  391    HE2  PHE  79           HE2      PHE  79   8.091   0.792  -5.143
  392    HZ   PHE  79           HZ       PHE  79   7.805  -0.849  -3.327
  393    H    LYS  80           H        LYS  80   8.025   6.381  -3.836
  394    HA   LYS  80           HA       LYS  80  10.395   4.878  -4.408
  395   1HB   LYS  80          1HB       LYS  80   9.298   7.443  -5.557
  396   2HB   LYS  80          2HB       LYS  80  10.752   6.651  -6.149
  397   1HG   LYS  80          1HG       LYS  80   7.997   5.439  -6.100
  398   2HG   LYS  80          2HG       LYS  80   8.797   6.123  -7.519
  399   1HD   LYS  80          1HD       LYS  80   9.799   3.784  -5.894
  400   2HD   LYS  80          2HD       LYS  80   8.966   3.667  -7.448
  401   1HE   LYS  80          1HE       LYS  80  11.607   5.042  -6.944
  402   2HE   LYS  80          2HE       LYS  80  11.394   3.467  -7.704
  403   1HZ   LYS  80          1HZ       LYS  80  11.735   5.252  -9.317
  404   2HZ   LYS  80          2HZ       LYS  80  10.331   6.028  -8.773
  405   3HZ   LYS  80          3HZ       LYS  80  10.225   4.510  -9.519
  406    H    GLU  81           H        GLU  81   9.628   7.582  -2.463
  407    HA   GLU  81           HA       GLU  81  12.018   9.020  -2.454
  408   1HB   GLU  81          1HB       GLU  81  10.025   9.851  -1.338
  409   2HB   GLU  81          2HB       GLU  81  10.075   8.519  -0.191
  410   1HG   GLU  81          1HG       GLU  81  12.545   9.620   0.130
  411   2HG   GLU  81          2HG       GLU  81  11.555  11.037  -0.223
  412    H    GLY  82           H        GLY  82  11.020   6.231  -0.510
  413   1HA   GLY  82          1HA       GLY  82  13.403   6.118   1.041
  414   2HA   GLY  82          2HA       GLY  82  12.211   4.836   0.880
  415    H    VAL  83           H        VAL  83  12.331   4.462  -1.872
  416    HA   VAL  83           HA       VAL  83  14.489   2.672  -2.099
  417    HB   VAL  83           HB       VAL  83  12.973   3.922  -4.199
  418   1HG1  VAL  83          1HG1      VAL  83  13.452   1.804  -5.339
  419   2HG1  VAL  83          2HG1      VAL  83  14.447   1.298  -3.974
  420   3HG1  VAL  83          3HG1      VAL  83  14.933   2.683  -4.954
  421   1HG2  VAL  83          1HG2      VAL  83  12.347   1.531  -2.486
  422   2HG2  VAL  83          2HG2      VAL  83  11.466   2.024  -3.934
  423   3HG2  VAL  83          3HG2      VAL  83  11.472   3.064  -2.510
  424    H    ALA  84           H        ALA  84  13.913   5.846  -3.606
  425    HA   ALA  84           HA       ALA  84  16.317   5.955  -5.065
  426   1HB   ALA  84          1HB       ALA  84  15.848   8.312  -5.343
  427   2HB   ALA  84          2HB       ALA  84  14.676   8.261  -4.027
  428   3HB   ALA  84          3HB       ALA  84  14.363   7.379  -5.522
  429    H    SER  85           H        SER  85  15.513   6.856  -1.782
  430    HA   SER  85           HA       SER  85  18.010   8.166  -1.266
  431   1HB   SER  85          1HB       SER  85  15.871   7.140   0.618
  432   2HB   SER  85          2HB       SER  85  17.235   8.145   1.102
  433    HG   SER  85           HG       SER  85  14.979   8.796  -0.453
  434    H    GLY  86           H        GLY  86  16.746   5.471   0.640
  435   1HA   GLY  86          1HA       GLY  86  18.868   3.678   0.006
  436   2HA   GLY  86          2HA       GLY  86  19.167   4.506   1.532
  437    H    ASN  87           H        ASN  87  16.986   4.659   2.837
  438    HA   ASN  87           HA       ASN  87  15.843   1.949   2.933
  439   1HB   ASN  87          1HB       ASN  87  15.359   2.569   5.383
  440   2HB   ASN  87          2HB       ASN  87  17.022   2.193   4.952
  441   1HD2  ASN  87          1HD2      ASN  87  14.778   4.837   5.583
  442   2HD2  ASN  87          2HD2      ASN  87  15.986   5.979   6.066
  443    H    LEU  88           H        LEU  88  13.626   1.747   3.371
  444    HA   LEU  88           HA       LEU  88  12.095   4.178   2.798
  445   1HB   LEU  88          1HB       LEU  88  11.892   2.508   1.030
  446   2HB   LEU  88          2HB       LEU  88  11.398   1.303   2.205
  447    HG   LEU  88           HG       LEU  88   9.336   2.541   2.645
  448   1HD1  LEU  88          1HD1      LEU  88  10.320   4.452   0.526
  449   2HD1  LEU  88          2HD1      LEU  88  10.161   4.802   2.247
  450   3HD1  LEU  88          3HD1      LEU  88   8.725   4.475   1.279
  451   1HD2  LEU  88          1HD2      LEU  88   9.357   0.860   0.867
  452   2HD2  LEU  88          2HD2      LEU  88   9.813   2.100  -0.302
  453   3HD2  LEU  88          3HD2      LEU  88   8.243   2.178   0.498
  454    H    ASN  89           H        ASN  89  11.227   4.949   4.578
  455    HA   ASN  89           HA       ASN  89   9.562   3.320   6.221
  456   1HB   ASN  89          1HB       ASN  89  10.789   3.912   8.348
  457   2HB   ASN  89          2HB       ASN  89  11.533   2.672   7.360
  458   1HD2  ASN  89          1HD2      ASN  89  13.514   3.040   8.362
  459   2HD2  ASN  89          2HD2      ASN  89  14.484   4.421   7.988
  460    H    THR  90           H        THR  90   8.557   5.128   4.891
  461    HA   THR  90           HA       THR  90   8.653   7.676   6.345
  462    HB   THR  90           HB       THR  90   7.500   7.170   3.770
  463    HG1  THR  90           HG1      THR  90   9.675   7.992   3.116
  464   1HG2  THR  90          1HG2      THR  90   6.923   9.271   4.884
  465   2HG2  THR  90          2HG2      THR  90   7.981   9.547   3.500
  466   3HG2  THR  90          3HG2      THR  90   8.635   9.608   5.137
  467    H    MET  91           H        MET  91   6.752   8.649   7.013
  468    HA   MET  91           HA       MET  91   4.312   7.005   6.774
  469   1HB   MET  91          1HB       MET  91   5.204   6.934   9.056
  470   2HB   MET  91          2HB       MET  91   5.207   8.692   9.120
  471   1HG   MET  91          1HG       MET  91   2.754   8.670   8.848
  472   2HG   MET  91          2HG       MET  91   2.793   6.910   8.905
  473   1HE   MET  91          1HE       MET  91   4.929   9.511  10.913
  474   2HE   MET  91          2HE       MET  91   4.019   9.635  12.418
  475   3HE   MET  91          3HE       MET  91   3.327  10.249  10.918
  476    H    PHE  92           H        PHE  92   2.815   8.000   5.606
  477    HA   PHE  92           HA       PHE  92   2.454  10.889   5.932
  478   1HB   PHE  92          1HB       PHE  92   2.123  11.121   3.471
  479   2HB   PHE  92          2HB       PHE  92   3.772  10.702   3.919
  480    HD1  PHE  92           HD1      PHE  92   0.754   9.619   2.206
  481    HD2  PHE  92           HD2      PHE  92   4.644   8.456   3.482
  482    HE1  PHE  92           HE1      PHE  92   0.676   7.694   0.678
  483    HE2  PHE  92           HE2      PHE  92   4.573   6.529   1.958
  484    HZ   PHE  92           HZ       PHE  92   2.579   6.152   0.543
  485    H    GLU  93           H        GLU  93   0.325  11.622   5.065
  486    HA   GLU  93           HA       GLU  93  -1.683   9.493   5.394
  487   1HB   GLU  93          1HB       GLU  93  -1.672  11.335   7.092
  488   2HB   GLU  93          2HB       GLU  93  -2.027  12.472   5.802
  489   1HG   GLU  93          1HG       GLU  93  -4.165  11.512   5.429
  490   2HG   GLU  93          2HG       GLU  93  -3.800  10.141   6.477
  491    H    TYR  94           H        TYR  94  -3.087   9.095   3.763
  492    HA   TYR  94           HA       TYR  94  -3.006  10.854   1.414
  493   1HB   TYR  94          1HB       TYR  94  -1.303   9.008   1.202
  494   2HB   TYR  94          2HB       TYR  94  -2.633   7.856   1.248
  495    HD1  TYR  94           HD1      TYR  94  -3.226   7.007  -0.817
  496    HD2  TYR  94           HD2      TYR  94  -1.851  11.024  -0.573
  497    HE1  TYR  94           HE1      TYR  94  -3.500   7.245  -3.251
  498    HE2  TYR  94           HE2      TYR  94  -2.126  11.269  -2.999
  499    HH   TYR  94           HH       TYR  94  -3.651   8.807  -4.948
  500    H    THR  95           H        THR  95  -4.703  10.222  -0.219
  501    HA   THR  95           HA       THR  95  -7.132   9.415   1.215
  502    HB   THR  95           HB       THR  95  -6.927  10.679  -1.346
  503    HG1  THR  95           HG1      THR  95  -5.988  12.192  -0.141
  504   1HG2  THR  95          1HG2      THR  95  -9.052  10.540   0.785
  505   2HG2  THR  95          2HG2      THR  95  -9.086   9.726  -0.781
  506   3HG2  THR  95          3HG2      THR  95  -9.142  11.486  -0.701
  507    H    PHE  96           H        PHE  96  -8.323   7.706   0.567
  508    HA   PHE  96           HA       PHE  96  -7.648   6.412  -2.003
  509   1HB   PHE  96          1HB       PHE  96  -8.795   5.247   0.542
  510   2HB   PHE  96          2HB       PHE  96  -8.811   4.392  -0.995
  511    HD1  PHE  96           HD1      PHE  96  -6.085   5.340  -1.957
  512    HD2  PHE  96           HD2      PHE  96  -7.417   3.770   1.767
  513    HE1  PHE  96           HE1      PHE  96  -3.816   4.508  -1.500
  514    HE2  PHE  96           HE2      PHE  96  -5.151   2.931   2.229
  515    HZ   PHE  96           HZ       PHE  96  -3.360   3.258   0.580
  516    H    ASP  97           H        ASP  97  -9.055   7.121  -3.492
  517    HA   ASP  97           HA       ASP  97 -11.892   7.313  -2.717
  518   1HB   ASP  97          1HB       ASP  97 -12.193   9.158  -4.188
  519   2HB   ASP  97          2HB       ASP  97 -10.748   9.507  -3.247
  520    H    TYR  98           H        TYR  98  -9.898   5.355  -4.182
  521    HA   TYR  98           HA       TYR  98 -11.875   4.553  -6.211
  522   1HB   TYR  98          1HB       TYR  98  -9.633   5.355  -7.123
  523   2HB   TYR  98          2HB       TYR  98  -8.909   3.960  -6.336
  524    HD1  TYR  98           HD1      TYR  98  -9.583   1.651  -7.091
  525    HD2  TYR  98           HD2      TYR  98 -10.713   5.162  -9.209
  526    HE1  TYR  98           HE1      TYR  98 -10.050   0.292  -9.086
  527    HE2  TYR  98           HE2      TYR  98 -11.192   3.812 -11.206
  528    HH   TYR  98           HH       TYR  98 -11.430   0.436 -11.137
  529    H    GLN  99           H        GLN  99 -12.639   2.497  -5.985
  530    HA   GLN  99           HA       GLN  99 -13.111   0.499  -5.002
  531   1HB   GLN  99          1HB       GLN  99 -10.215   0.592  -4.126
  532   2HB   GLN  99          2HB       GLN  99 -11.277  -0.783  -3.871
  533   1HG   GLN  99          1HG       GLN  99 -10.424   0.354  -6.526
  534   2HG   GLN  99          2HG       GLN  99  -9.859  -1.146  -5.791
  535   1HE2  GLN  99          1HE2      GLN  99 -12.482   0.452  -7.394
  536   2HE2  GLN  99          2HE2      GLN  99 -13.419  -0.967  -7.722
  537    H    MET 100           H        MET 100 -12.838   3.246  -3.572
  538    HA   MET 100           HA       MET 100 -14.055   2.506  -1.108
  539   1HB   MET 100          1HB       MET 100 -11.589   2.109  -0.647
  540   2HB   MET 100          2HB       MET 100 -11.346   3.831  -0.910
  541   1HG   MET 100          1HG       MET 100 -12.849   4.330   0.946
  542   2HG   MET 100          2HG       MET 100 -13.097   2.604   1.210
  543   1HE   MET 100          1HE       MET 100 -12.384   2.596   3.706
  544   2HE   MET 100          2HE       MET 100 -12.284   4.356   3.620
  545   3HE   MET 100          3HE       MET 100 -10.959   3.431   4.328
  546    H    THR 101           H        THR 101 -15.259   4.243  -0.374
  547    HA   THR 101           HA       THR 101 -15.374   6.585  -1.945
  548    HB   THR 101           HB       THR 101 -16.444   7.473   0.025
  549    HG1  THR 101           HG1      THR 101 -15.963   6.163   1.688
  550   1HG2  THR 101          1HG2      THR 101 -17.571   6.685  -1.970
  551   2HG2  THR 101          2HG2      THR 101 -18.442   6.177  -0.523
  552   3HG2  THR 101          3HG2      THR 101 -17.441   5.022  -1.403
  553    HA   PRO 102           HA       PRO 102 -11.957   8.989  -0.845
  554   1HB   PRO 102          1HB       PRO 102 -13.865  11.161  -0.093
  555   2HB   PRO 102          2HB       PRO 102 -12.448  11.225  -1.148
  556   1HG   PRO 102          1HG       PRO 102 -14.875  11.154  -2.194
  557   2HG   PRO 102          2HG       PRO 102 -13.563  10.203  -2.916
  558   1HD   PRO 102          1HD       PRO 102 -15.845   9.303  -1.215
  559   2HD   PRO 102          2HD       PRO 102 -15.057   8.486  -2.577
  560    H    THR 103           H        THR 103 -11.469   7.691   1.028
  561    HA   THR 103           HA       THR 103 -12.043   9.093   3.559
  562    HB   THR 103           HB       THR 103 -10.793   6.535   3.247
  563    HG1  THR 103           HG1      THR 103 -12.871   6.668   2.113
  564   1HG2  THR 103          1HG2      THR 103 -11.798   6.216   5.452
  565   2HG2  THR 103          2HG2      THR 103 -12.421   7.867   5.404
  566   3HG2  THR 103          3HG2      THR 103 -10.681   7.580   5.437
  567    H    LYS 104           H        LYS 104 -10.279   9.440   5.045
  568    HA   LYS 104           HA       LYS 104  -7.703   9.776   3.684
  569   1HB   LYS 104          1HB       LYS 104  -8.774  11.003   6.236
  570   2HB   LYS 104          2HB       LYS 104  -7.169  11.294   5.587
  571   1HG   LYS 104          1HG       LYS 104  -9.715  11.951   4.123
  572   2HG   LYS 104          2HG       LYS 104  -8.824  13.096   5.129
  573   1HD   LYS 104          1HD       LYS 104  -6.851  12.784   3.691
  574   2HD   LYS 104          2HD       LYS 104  -7.781  11.682   2.672
  575   1HE   LYS 104          1HE       LYS 104  -8.525  14.559   3.196
  576   2HE   LYS 104          2HE       LYS 104  -7.620  14.010   1.787
  577   1HZ   LYS 104          1HZ       LYS 104 -10.033  14.283   1.390
  578   2HZ   LYS 104          2HZ       LYS 104 -10.337  13.031   2.496
  579   3HZ   LYS 104          3HZ       LYS 104  -9.473  12.717   1.075
  580    H    VAL 105           H        VAL 105  -6.219   8.285   4.071
  581    HA   VAL 105           HA       VAL 105  -6.231   6.977   6.713
  582    HB   VAL 105           HB       VAL 105  -5.245   5.155   5.705
  583   1HG1  VAL 105          1HG1      VAL 105  -7.341   4.325   4.743
  584   2HG1  VAL 105          2HG1      VAL 105  -7.957   5.977   4.671
  585   3HG1  VAL 105          3HG1      VAL 105  -7.623   5.227   6.232
  586   1HG2  VAL 105          1HG2      VAL 105  -4.318   6.145   3.720
  587   2HG2  VAL 105          2HG2      VAL 105  -5.930   6.583   3.152
  588   3HG2  VAL 105          3HG2      VAL 105  -5.470   4.885   3.278
  589    H    LYS 106           H        LYS 106  -4.089   6.114   7.339
  590    HA   LYS 106           HA       LYS 106  -1.953   7.867   6.353
  591   1HB   LYS 106          1HB       LYS 106  -2.468   8.210   8.724
  592   2HB   LYS 106          2HB       LYS 106  -2.234   6.495   9.036
  593   1HG   LYS 106          1HG       LYS 106   0.068   6.630   8.771
  594   2HG   LYS 106          2HG       LYS 106  -0.025   8.151   7.881
  595   1HD   LYS 106          1HD       LYS 106   0.830   8.480  10.152
  596   2HD   LYS 106          2HD       LYS 106  -0.704   9.316   9.907
  597   1HE   LYS 106          1HE       LYS 106  -1.859   7.420  11.005
  598   2HE   LYS 106          2HE       LYS 106  -0.286   6.687  11.328
  599   1HZ   LYS 106          1HZ       LYS 106  -1.106   9.376  12.291
  600   2HZ   LYS 106          2HZ       LYS 106   0.309   8.539  12.704
  601   3HZ   LYS 106          3HZ       LYS 106  -1.196   7.960  13.222
  602    H    VAL 107           H        VAL 107  -0.180   6.965   5.486
  603    HA   VAL 107           HA       VAL 107  -0.256   4.047   5.212
  604    HB   VAL 107           HB       VAL 107   0.589   6.129   3.419
  605   1HG1  VAL 107          1HG1      VAL 107   0.916   4.277   1.844
  606   2HG1  VAL 107          2HG1      VAL 107   0.568   3.124   3.132
  607   3HG1  VAL 107          3HG1      VAL 107   2.002   4.145   3.227
  608   1HG2  VAL 107          1HG2      VAL 107  -1.754   4.250   3.406
  609   2HG2  VAL 107          2HG2      VAL 107  -1.281   5.304   2.073
  610   3HG2  VAL 107          3HG2      VAL 107  -1.802   6.001   3.607
  611    H    HIS 108           H        HIS 108   1.332   3.236   6.336
  612    HA   HIS 108           HA       HIS 108   3.788   4.813   6.650
  613   1HB   HIS 108          1HB       HIS 108   2.398   3.893   8.655
  614   2HB   HIS 108          2HB       HIS 108   3.124   2.345   8.239
  615    HD1  HIS 108           HD1      HIS 108   3.600   4.149  10.877
  616    HD2  HIS 108           HD2      HIS 108   6.189   3.651   7.655
  617    HE1  HIS 108           HE1      HIS 108   5.893   4.675  11.758
  618    HE2  HIS 108           HE2      HIS 108   7.432   4.480   9.776
  619    H    MET 109           H        MET 109   5.405   4.266   5.446
  620    HA   MET 109           HA       MET 109   5.507   1.588   4.218
  621   1HB   MET 109          1HB       MET 109   7.012   4.153   3.628
  622   2HB   MET 109          2HB       MET 109   7.285   2.637   2.783
  623   1HG   MET 109          1HG       MET 109   4.617   4.009   2.846
  624   2HG   MET 109          2HG       MET 109   5.841   4.343   1.622
  625   1HE   MET 109          1HE       MET 109   3.256   2.225  -0.385
  626   2HE   MET 109          2HE       MET 109   4.182   3.725  -0.316
  627   3HE   MET 109          3HE       MET 109   2.913   3.418   0.869
  628    H    LYS 110           H        LYS 110   7.157   0.150   4.712
  629    HA   LYS 110           HA       LYS 110   9.426   1.089   6.268
  630   1HB   LYS 110          1HB       LYS 110   7.232  -0.594   7.413
  631   2HB   LYS 110          2HB       LYS 110   8.886  -0.854   7.955
  632   1HG   LYS 110          1HG       LYS 110   9.059   1.368   8.773
  633   2HG   LYS 110          2HG       LYS 110   7.545   1.834   7.998
  634   1HD   LYS 110          1HD       LYS 110   7.299   1.502  10.418
  635   2HD   LYS 110          2HD       LYS 110   6.300   0.395   9.478
  636   1HE   LYS 110          1HE       LYS 110   7.368  -0.741  11.362
  637   2HE   LYS 110          2HE       LYS 110   7.916  -1.389   9.817
  638   1HZ   LYS 110          1HZ       LYS 110   9.945  -0.114  10.023
  639   2HZ   LYS 110          2HZ       LYS 110   9.736  -1.090  11.391
  640   3HZ   LYS 110          3HZ       LYS 110   9.410   0.573  11.481
  641    H    LYS 111           H        LYS 111  11.164   0.062   5.572
  642    HA   LYS 111           HA       LYS 111  10.855  -2.094   3.701
  643   1HB   LYS 111          1HB       LYS 111  12.554  -0.184   3.532
  644   2HB   LYS 111          2HB       LYS 111  13.479  -1.043   4.759
  645   1HG   LYS 111          1HG       LYS 111  13.216  -3.064   3.129
  646   2HG   LYS 111          2HG       LYS 111  12.904  -1.800   1.939
  647   1HD   LYS 111          1HD       LYS 111  15.054  -0.790   2.398
  648   2HD   LYS 111          2HD       LYS 111  15.363  -1.967   3.679
  649   1HE   LYS 111          1HE       LYS 111  15.148  -3.767   1.949
  650   2HE   LYS 111          2HE       LYS 111  15.086  -2.501   0.725
  651   1HZ   LYS 111          1HZ       LYS 111  17.306  -3.352   0.923
  652   2HZ   LYS 111          2HZ       LYS 111  17.335  -3.044   2.589
  653   3HZ   LYS 111          3HZ       LYS 111  17.280  -1.752   1.484
  654    H    ALA 112           H        ALA 112  11.234  -4.170   3.970
  655    HA   ALA 112           HA       ALA 112  12.853  -5.083   6.232
  656   1HB   ALA 112          1HB       ALA 112  10.523  -5.467   6.876
  657   2HB   ALA 112          2HB       ALA 112  11.333  -7.001   6.555
  658   3HB   ALA 112          3HB       ALA 112  10.233  -6.317   5.359
  659    H    LEU 113           H        LEU 113  13.379  -7.570   5.708
  660    HA   LEU 113           HA       LEU 113  14.138  -7.583   2.896
  661   1HB   LEU 113          1HB       LEU 113  15.835  -8.115   4.625
  662   2HB   LEU 113          2HB       LEU 113  14.923  -9.547   5.051
  663    HG   LEU 113           HG       LEU 113  15.319 -10.494   2.838
  664   1HD1  LEU 113          1HD1      LEU 113  16.818  -9.372   1.254
  665   2HD1  LEU 113          2HD1      LEU 113  16.858  -7.956   2.305
  666   3HD1  LEU 113          3HD1      LEU 113  15.346  -8.439   1.536
  667   1HD2  LEU 113          1HD2      LEU 113  17.836  -9.457   4.131
  668   2HD2  LEU 113          2HD2      LEU 113  17.739 -10.812   3.007
  669   3HD2  LEU 113          3HD2      LEU 113  16.960 -10.918   4.587
  670    H    SER 114           H        SER 114  13.546 -10.628   4.525
  671    HA   SER 114           HA       SER 114  12.308 -12.414   3.831
  672   1HB   SER 114          1HB       SER 114   9.824 -11.944   3.926
  673   2HB   SER 114          2HB       SER 114  10.741 -11.441   5.343
  674    HG   SER 114           HG       SER 114  10.623  -9.473   3.478
  675    H    GLY 115           H        GLY 115  13.586 -11.545   1.629
  676   1HA   GLY 115          1HA       GLY 115  13.343 -12.183  -0.641
  677   2HA   GLY 115          2HA       GLY 115  11.599 -12.038  -0.471
  678    H    ASP 116           H        ASP 116  13.278  -9.463   0.876
  679    HA   ASP 116           HA       ASP 116  13.596  -7.291   0.379
  680   1HB   ASP 116          1HB       ASP 116  15.052  -8.269  -1.447
  681   2HB   ASP 116          2HB       ASP 116  13.691  -8.044  -2.543
  682    H    SER 117           H        SER 117  11.566  -6.764   1.104
  683    HA   SER 117           HA       SER 117   9.967  -5.379  -0.762
  684   1HB   SER 117          1HB       SER 117   7.845  -6.732   0.118
  685   2HB   SER 117          2HB       SER 117   8.734  -7.256  -1.316
  686    HG   SER 117           HG       SER 117   9.999  -8.564   0.249
  687    H    TYR 118           H        TYR 118   8.185  -4.175   0.379
  688    HA   TYR 118           HA       TYR 118   9.198  -3.476   3.037
  689   1HB   TYR 118          1HB       TYR 118   7.423  -1.729   1.346
  690   2HB   TYR 118          2HB       TYR 118   8.590  -1.258   2.581
  691    HD1  TYR 118           HD1      TYR 118   8.094  -2.117  -0.915
  692    HD2  TYR 118           HD2      TYR 118  10.993  -1.209   2.057
  693    HE1  TYR 118           HE1      TYR 118   9.773  -1.742  -2.675
  694    HE2  TYR 118           HE2      TYR 118  12.679  -0.829   0.307
  695    HH   TYR 118           HH       TYR 118  11.891  -0.538  -2.983
  696    H    TRP 119           H        TRP 119   7.662  -2.992   4.639
  697    HA   TRP 119           HA       TRP 119   5.069  -4.291   4.238
  698   1HB   TRP 119          1HB       TRP 119   6.760  -3.702   6.657
  699   2HB   TRP 119          2HB       TRP 119   5.026  -3.979   6.834
  700    HD1  TRP 119           HD1      TRP 119   8.278  -5.798   5.993
  701    HE1  TRP 119           HE1      TRP 119   7.847  -8.335   6.055
  702    HE3  TRP 119           HE3      TRP 119   3.198  -5.746   6.523
  703    HZ2  TRP 119           HZ2      TRP 119   5.648 -10.084   6.304
  704    HZ3  TRP 119           HZ3      TRP 119   2.001  -7.891   6.671
  705    HH2  TRP 119           HH2      TRP 119   3.204 -10.018   6.562
  706    H    VAL 120           H        VAL 120   3.603  -2.895   3.543
  707    HA   VAL 120           HA       VAL 120   3.761  -0.172   4.629
  708    HB   VAL 120           HB       VAL 120   3.828  -0.325   2.410
  709   1HG1  VAL 120          1HG1      VAL 120   1.930  -1.146   1.100
  710   2HG1  VAL 120          2HG1      VAL 120   1.185  -1.756   2.577
  711   3HG1  VAL 120          3HG1      VAL 120   2.714  -2.433   2.018
  712   1HG2  VAL 120          1HG2      VAL 120   1.199   0.723   3.426
  713   2HG2  VAL 120          2HG2      VAL 120   1.954   1.149   1.889
  714   3HG2  VAL 120          3HG2      VAL 120   2.740   1.582   3.408
  715    H    PHE 121           H        PHE 121   2.324   0.608   5.957
  716    HA   PHE 121           HA       PHE 121   0.118  -1.168   6.748
  717   1HB   PHE 121          1HB       PHE 121   1.478   0.974   8.397
  718   2HB   PHE 121          2HB       PHE 121   0.284  -0.187   8.964
  719    HD1  PHE 121           HD1      PHE 121   3.763   0.442   8.337
  720    HD2  PHE 121           HD2      PHE 121   0.888  -2.622   9.019
  721    HE1  PHE 121           HE1      PHE 121   5.571  -1.116   8.933
  722    HE2  PHE 121           HE2      PHE 121   2.692  -4.184   9.617
  723    HZ   PHE 121           HZ       PHE 121   5.036  -3.433   9.576
  724    H    VAL 122           H        VAL 122  -1.903  -0.466   6.645
  725    HA   VAL 122           HA       VAL 122  -2.320   2.355   5.949
  726    HB   VAL 122           HB       VAL 122  -4.482   1.477   5.239
  727   1HG1  VAL 122          1HG1      VAL 122  -1.881   1.034   3.779
  728   2HG1  VAL 122          2HG1      VAL 122  -2.803   2.537   3.837
  729   3HG1  VAL 122          3HG1      VAL 122  -3.473   1.121   3.024
  730   1HG2  VAL 122          1HG2      VAL 122  -4.321  -0.760   4.279
  731   2HG2  VAL 122          2HG2      VAL 122  -4.268  -0.784   6.041
  732   3HG2  VAL 122          3HG2      VAL 122  -2.784  -0.995   5.112
  733    H    LYS 123           H        LYS 123  -2.882   3.436   7.680
  734    HA   LYS 123           HA       LYS 123  -4.752   2.212   9.589
  735   1HB   LYS 123          1HB       LYS 123  -2.748   2.999  10.656
  736   2HB   LYS 123          2HB       LYS 123  -2.871   4.561   9.861
  737   1HG   LYS 123          1HG       LYS 123  -4.821   5.121  11.159
  738   2HG   LYS 123          2HG       LYS 123  -4.850   3.508  11.876
  739   1HD   LYS 123          1HD       LYS 123  -2.828   3.895  13.041
  740   2HD   LYS 123          2HD       LYS 123  -2.509   5.379  12.145
  741   1HE   LYS 123          1HE       LYS 123  -3.273   5.946  14.352
  742   2HE   LYS 123          2HE       LYS 123  -4.517   6.385  13.187
  743   1HZ   LYS 123          1HZ       LYS 123  -5.792   4.479  13.791
  744   2HZ   LYS 123          2HZ       LYS 123  -5.373   5.293  15.216
  745   3HZ   LYS 123          3HZ       LYS 123  -4.550   3.880  14.780
  746    H    ARG 124           H        ARG 124  -6.778   2.747   9.430
  747    HA   ARG 124           HA       ARG 124  -7.554   5.007   7.771
  748   1HB   ARG 124          1HB       ARG 124  -9.829   4.046   7.945
  749   2HB   ARG 124          2HB       ARG 124  -8.655   2.892   7.328
  750   1HG   ARG 124          1HG       ARG 124  -8.513   1.847   9.527
  751   2HG   ARG 124          2HG       ARG 124  -9.679   3.013  10.156
  752   1HD   ARG 124          1HD       ARG 124 -10.200   1.040   7.936
  753   2HD   ARG 124          2HD       ARG 124 -10.719   0.852   9.610
  754    HE   ARG 124           HE       ARG 124 -11.665   3.308   8.609
  755   1HH1  ARG 124          1HH1      ARG 124 -12.208  -0.137   8.267
  756   2HH1  ARG 124          2HH1      ARG 124 -13.883   0.047   7.836
  757   1HH2  ARG 124          1HH2      ARG 124 -13.832   3.557   8.005
  758   2HH2  ARG 124          2HH2      ARG 124 -14.806   2.159   7.672
  759    H    VAL 125           H        VAL 125  -9.151   6.541   8.471
  760    HA   VAL 125           HA       VAL 125  -8.802   7.419  11.151
  761    HB   VAL 125           HB       VAL 125 -10.598   8.876  10.648
  762   1HG1  VAL 125          1HG1      VAL 125  -8.125   8.751   8.932
  763   2HG1  VAL 125          2HG1      VAL 125  -8.259   9.475  10.535
  764   3HG1  VAL 125          3HG1      VAL 125  -9.122  10.185   9.170
  765   1HG2  VAL 125          1HG2      VAL 125 -11.689   7.577   8.891
  766   2HG2  VAL 125          2HG2      VAL 125 -10.240   7.715   7.894
  767   3HG2  VAL 125          3HG2      VAL 125 -11.167   9.157   8.307
  768    H2   HC4 169           H2       HC4 169  -6.919   3.510  -2.930
  769    H3   HC4 169           H3       HC4 169  -6.876   1.354  -4.987
  770    H2'  HC4 169           H2'      HC4 169  -6.991  -0.958  -3.990
  771    H3'  HC4 169           H3'      HC4 169  -7.435  -2.469  -2.100
  772    H5'  HC4 169           H5'      HC4 169  -7.453   0.874   0.542
  773    H6'  HC4 169           H6'      HC4 169  -7.158   2.387  -1.376
  Start of MODEL   16
    1    H    LEU  26           H        LEU  26 -10.780  -5.077   9.397
    2    HA   LEU  26           HA       LEU  26 -11.098  -4.095  11.505
    3   1HB   LEU  26          1HB       LEU  26 -12.895  -5.731  12.150
    4   2HB   LEU  26          2HB       LEU  26 -11.644  -6.875  12.552
    5    HG   LEU  26           HG       LEU  26 -12.668  -5.708  14.452
    6   1HD1  LEU  26          1HD1      LEU  26 -10.593  -5.276  15.671
    7   2HD1  LEU  26          2HD1      LEU  26  -9.711  -5.320  14.144
    8   3HD1  LEU  26          3HD1      LEU  26 -10.526  -6.769  14.733
    9   1HD2  LEU  26          1HD2      LEU  26 -11.946  -3.407  14.954
   10   2HD2  LEU  26          2HD2      LEU  26 -12.968  -3.512  13.520
   11   3HD2  LEU  26          3HD2      LEU  26 -11.222  -3.320  13.347
   12    H    ALA  27           H        ALA  27  -9.642  -7.313  11.059
   13    HA   ALA  27           HA       ALA  27  -7.743  -6.978  13.140
   14   1HB   ALA  27          1HB       ALA  27  -7.791  -9.011  10.923
   15   2HB   ALA  27          2HB       ALA  27  -8.611  -9.158  12.479
   16   3HB   ALA  27          3HB       ALA  27  -6.848  -9.112  12.410
   17    H    PHE  28           H        PHE  28  -7.082  -4.808  12.094
   18    HA   PHE  28           HA       PHE  28  -5.260  -3.570  11.558
   19   1HB   PHE  28          1HB       PHE  28  -3.864  -6.246  11.510
   20   2HB   PHE  28          2HB       PHE  28  -3.040  -4.697  11.367
   21    HD1  PHE  28           HD1      PHE  28  -3.075  -3.111  13.281
   22    HD2  PHE  28           HD2      PHE  28  -4.556  -7.086  13.600
   23    HE1  PHE  28           HE1      PHE  28  -2.944  -2.959  15.733
   24    HE2  PHE  28           HE2      PHE  28  -4.429  -6.943  16.053
   25    HZ   PHE  28           HZ       PHE  28  -3.617  -4.870  17.122
   26    H    GLY  29           H        GLY  29  -4.563  -2.563   9.766
   27   1HA   GLY  29          1HA       GLY  29  -4.883  -4.005   7.222
   28   2HA   GLY  29          2HA       GLY  29  -4.892  -2.256   7.410
   29    H    ALA  30           H        ALA  30  -3.028  -4.980   6.699
   30    HA   ALA  30           HA       ALA  30  -0.611  -3.340   6.532
   31   1HB   ALA  30          1HB       ALA  30  -0.488  -4.557   8.663
   32   2HB   ALA  30          2HB       ALA  30   0.751  -5.093   7.530
   33   3HB   ALA  30          3HB       ALA  30  -0.685  -6.082   7.795
   34    H    ILE  31           H        ILE  31   0.185  -3.508   4.535
   35    HA   ILE  31           HA       ILE  31  -0.118  -6.077   3.145
   36    HB   ILE  31           HB       ILE  31  -0.032  -4.822   1.169
   37   1HG1  ILE  31          1HG1      ILE  31  -0.699  -2.568   3.051
   38   2HG1  ILE  31          2HG1      ILE  31   0.719  -2.686   2.015
   39   1HG2  ILE  31          1HG2      ILE  31  -2.016  -5.949   2.010
   40   2HG2  ILE  31          2HG2      ILE  31  -2.451  -4.402   1.284
   41   3HG2  ILE  31          3HG2      ILE  31  -2.384  -4.563   3.040
   42   1HD1  ILE  31          1HD1      ILE  31  -0.709  -2.586   0.042
   43   2HD1  ILE  31          2HD1      ILE  31  -0.928  -1.176   1.077
   44   3HD1  ILE  31          3HD1      ILE  31  -2.132  -2.465   1.077
   45    H    GLN  32           H        GLN  32   1.504  -6.465   1.465
   46    HA   GLN  32           HA       GLN  32   4.043  -5.124   2.110
   47   1HB   GLN  32          1HB       GLN  32   3.941  -7.463   2.920
   48   2HB   GLN  32          2HB       GLN  32   3.655  -8.006   1.272
   49   1HG   GLN  32          1HG       GLN  32   5.818  -7.200   0.588
   50   2HG   GLN  32          2HG       GLN  32   6.101  -6.520   2.189
   51   1HE2  GLN  32          1HE2      GLN  32   7.961  -7.709   2.433
   52   2HE2  GLN  32          2HE2      GLN  32   7.947  -9.404   2.751
   53    H    LEU  33           H        LEU  33   4.746  -3.926   0.502
   54    HA   LEU  33           HA       LEU  33   4.103  -4.706  -2.257
   55   1HB   LEU  33          1HB       LEU  33   4.701  -1.908  -1.305
   56   2HB   LEU  33          2HB       LEU  33   4.142  -2.384  -2.889
   57    HG   LEU  33           HG       LEU  33   2.333  -1.350  -1.811
   58   1HD1  LEU  33          1HD1      LEU  33   0.657  -3.122  -1.648
   59   2HD1  LEU  33          2HD1      LEU  33   1.947  -4.324  -1.623
   60   3HD1  LEU  33          3HD1      LEU  33   1.706  -3.320  -3.053
   61   1HD2  LEU  33          1HD2      LEU  33   1.460  -2.025   0.365
   62   2HD2  LEU  33          2HD2      LEU  33   3.113  -1.421   0.470
   63   3HD2  LEU  33          3HD2      LEU  33   2.801  -3.157   0.545
   64    H    ASP  34           H        ASP  34   5.828  -4.580  -3.786
   65    HA   ASP  34           HA       ASP  34   8.434  -3.997  -2.560
   66   1HB   ASP  34          1HB       ASP  34   9.513  -5.347  -4.250
   67   2HB   ASP  34          2HB       ASP  34   8.265  -6.283  -3.443
   68    H    GLY  35           H        GLY  35  10.097  -3.187  -4.238
   69   1HA   GLY  35          1HA       GLY  35   9.339  -0.551  -4.793
   70   2HA   GLY  35          2HA       GLY  35  10.816  -1.318  -5.343
   71    H    ASP  36           H        ASP  36   8.685  -3.296  -6.684
   72    HA   ASP  36           HA       ASP  36   8.729  -1.847  -9.207
   73   1HB   ASP  36          1HB       ASP  36   7.863  -4.682  -8.538
   74   2HB   ASP  36          2HB       ASP  36   7.843  -3.987 -10.161
   75    H    GLY  37           H        GLY  37   6.682  -2.162  -6.609
   76   1HA   GLY  37          1HA       GLY  37   4.544  -1.193  -6.401
   77   2HA   GLY  37          2HA       GLY  37   4.380  -1.226  -8.155
   78    H    ASN  38           H        ASN  38   5.656  -4.032  -6.877
   79    HA   ASN  38           HA       ASN  38   3.335  -5.542  -7.740
   80   1HB   ASN  38          1HB       ASN  38   5.654  -6.114  -8.419
   81   2HB   ASN  38          2HB       ASN  38   6.054  -6.418  -6.730
   82   1HD2  ASN  38          1HD2      ASN  38   6.625  -8.474  -7.042
   83   2HD2  ASN  38          2HD2      ASN  38   5.512  -9.728  -7.436
   84    H    ILE  39           H        ILE  39   2.176  -6.975  -6.420
   85    HA   ILE  39           HA       ILE  39   2.376  -6.422  -3.554
   86    HB   ILE  39           HB       ILE  39   0.548  -8.252  -4.743
   87   1HG1  ILE  39          1HG1      ILE  39   0.554  -6.071  -6.038
   88   2HG1  ILE  39          2HG1      ILE  39  -0.963  -6.523  -5.270
   89   1HG2  ILE  39          1HG2      ILE  39  -0.790  -7.434  -2.849
   90   2HG2  ILE  39          2HG2      ILE  39   0.542  -6.377  -2.382
   91   3HG2  ILE  39          3HG2      ILE  39   0.745  -8.128  -2.325
   92   1HD1  ILE  39          1HD1      ILE  39   1.020  -4.526  -4.226
   93   2HD1  ILE  39          2HD1      ILE  39  -0.493  -4.986  -3.444
   94   3HD1  ILE  39          3HD1      ILE  39  -0.519  -4.167  -5.007
   95    H    LEU  40           H        LEU  40   2.661  -8.038  -2.024
   96    HA   LEU  40           HA       LEU  40   3.545 -10.656  -3.045
   97   1HB   LEU  40          1HB       LEU  40   4.513  -9.113  -0.635
   98   2HB   LEU  40          2HB       LEU  40   4.941 -10.781  -0.959
   99    HG   LEU  40           HG       LEU  40   5.943  -9.957  -3.157
  100   1HD1  LEU  40          1HD1      LEU  40   5.760  -7.292  -1.761
  101   2HD1  LEU  40          2HD1      LEU  40   4.824  -7.767  -3.179
  102   3HD1  LEU  40          3HD1      LEU  40   6.583  -7.627  -3.285
  103   1HD2  LEU  40          1HD2      LEU  40   7.316 -10.650  -1.283
  104   2HD2  LEU  40          2HD2      LEU  40   7.150  -9.055  -0.545
  105   3HD2  LEU  40          3HD2      LEU  40   8.023  -9.236  -2.066
  106    H    GLN  41           H        GLN  41   2.478  -9.133  -0.011
  107    HA   GLN  41           HA       GLN  41   0.503 -11.268   0.317
  108   1HB   GLN  41          1HB       GLN  41   2.372 -10.327   2.504
  109   2HB   GLN  41          2HB       GLN  41   1.097 -11.525   2.676
  110   1HG   GLN  41          1HG       GLN  41   2.267 -13.005   1.135
  111   2HG   GLN  41          2HG       GLN  41   3.541 -11.803   0.946
  112   1HE2  GLN  41          1HE2      GLN  41   4.946 -11.398   2.671
  113   2HE2  GLN  41          2HE2      GLN  41   5.134 -12.532   3.966
  114    H    TYR  42           H        TYR  42  -1.414 -10.493   0.831
  115    HA   TYR  42           HA       TYR  42  -1.660  -7.794   1.954
  116   1HB   TYR  42          1HB       TYR  42  -3.468  -9.604   0.446
  117   2HB   TYR  42          2HB       TYR  42  -4.222  -8.601   1.672
  118    HD1  TYR  42           HD1      TYR  42  -5.538  -7.398  -0.026
  119    HD2  TYR  42           HD2      TYR  42  -1.285  -7.404  -0.116
  120    HE1  TYR  42           HE1      TYR  42  -5.568  -5.510  -1.607
  121    HE2  TYR  42           HE2      TYR  42  -1.305  -5.528  -1.699
  122    HH   TYR  42           HH       TYR  42  -4.100  -3.698  -2.338
  123    H    ASN  43           H        ASN  43  -3.674  -7.719   3.543
  124    HA   ASN  43           HA       ASN  43  -3.462  -9.975   5.421
  125   1HB   ASN  43          1HB       ASN  43  -2.424  -7.718   6.163
  126   2HB   ASN  43          2HB       ASN  43  -4.089  -7.161   6.308
  127   1HD2  ASN  43          1HD2      ASN  43  -3.991  -6.895   8.519
  128   2HD2  ASN  43          2HD2      ASN  43  -3.890  -8.242   9.625
  129    H    ALA  44           H        ALA  44  -5.462  -9.832   6.993
  130    HA   ALA  44           HA       ALA  44  -7.689 -10.449   5.380
  131   1HB   ALA  44          1HB       ALA  44  -7.605 -10.009   8.362
  132   2HB   ALA  44          2HB       ALA  44  -7.226 -11.521   7.536
  133   3HB   ALA  44          3HB       ALA  44  -8.860 -10.862   7.461
  134    H    ALA  45           H        ALA  45  -6.615  -7.426   6.455
  135    HA   ALA  45           HA       ALA  45  -9.144  -6.203   6.959
  136   1HB   ALA  45          1HB       ALA  45  -6.508  -4.899   6.318
  137   2HB   ALA  45          2HB       ALA  45  -7.082  -5.327   7.930
  138   3HB   ALA  45          3HB       ALA  45  -7.931  -4.103   6.986
  139    H    GLU  46           H        GLU  46  -6.987  -6.314   4.116
  140    HA   GLU  46           HA       GLU  46  -8.692  -4.507   2.671
  141   1HB   GLU  46          1HB       GLU  46  -6.432  -6.232   1.646
  142   2HB   GLU  46          2HB       GLU  46  -7.232  -4.955   0.743
  143   1HG   GLU  46          1HG       GLU  46  -5.274  -4.772   2.962
  144   2HG   GLU  46          2HG       GLU  46  -5.379  -3.851   1.460
  145    HE2  GLU  46           HE2      GLU  46  -6.961  -1.754   1.467
  146    H    GLY  47           H        GLY  47  -8.636  -7.869   3.249
  147   1HA   GLY  47          1HA       GLY  47 -10.460  -8.446   1.056
  148   2HA   GLY  47          2HA       GLY  47  -9.933  -9.580   2.301
  149    H    ASP  48           H        ASP  48 -10.645  -7.017   4.032
  150    HA   ASP  48           HA       ASP  48 -13.379  -7.882   4.590
  151   1HB   ASP  48          1HB       ASP  48 -11.998  -7.823   6.535
  152   2HB   ASP  48          2HB       ASP  48 -11.369  -6.232   6.124
  153    H    ILE  49           H        ILE  49 -11.523  -4.911   4.000
  154    HA   ILE  49           HA       ILE  49 -13.881  -3.286   3.813
  155    HB   ILE  49           HB       ILE  49 -11.177  -2.834   2.965
  156   1HG1  ILE  49          1HG1      ILE  49 -11.306  -3.329   5.299
  157   2HG1  ILE  49          2HG1      ILE  49 -11.032  -1.609   5.072
  158   1HG2  ILE  49          1HG2      ILE  49 -12.764  -1.346   1.842
  159   2HG2  ILE  49          2HG2      ILE  49 -11.839  -0.471   3.062
  160   3HG2  ILE  49          3HG2      ILE  49 -13.500  -0.955   3.397
  161   1HD1  ILE  49          1HD1      ILE  49 -12.621  -2.004   6.860
  162   2HD1  ILE  49          2HD1      ILE  49 -13.663  -2.907   5.758
  163   3HD1  ILE  49          3HD1      ILE  49 -13.401  -1.181   5.510
  164    H    THR  50           H        THR  50 -11.373  -4.066   1.364
  165    HA   THR  50           HA       THR  50 -13.245  -3.340  -0.721
  166    HB   THR  50           HB       THR  50 -11.167  -4.273  -1.912
  167    HG1  THR  50           HG1      THR  50  -9.711  -2.872  -0.244
  168   1HG2  THR  50          1HG2      THR  50 -10.586  -1.903  -2.106
  169   2HG2  THR  50          2HG2      THR  50 -11.710  -1.527  -0.800
  170   3HG2  THR  50          3HG2      THR  50 -12.314  -2.177  -2.325
  171    H    GLY  51           H        GLY  51 -11.242  -6.213   0.013
  172   1HA   GLY  51          1HA       GLY  51 -12.681  -8.309  -0.030
  173   2HA   GLY  51          2HA       GLY  51 -13.138  -7.769  -1.636
  174    H    ARG  52           H        ARG  52  -9.861  -7.211  -0.726
  175    HA   ARG  52           HA       ARG  52  -9.001  -9.202  -2.677
  176   1HB   ARG  52          1HB       ARG  52  -7.469  -7.050  -1.206
  177   2HB   ARG  52          2HB       ARG  52  -6.720  -8.208  -2.288
  178   1HG   ARG  52          1HG       ARG  52  -6.960  -6.246  -3.530
  179   2HG   ARG  52          2HG       ARG  52  -8.257  -7.303  -4.088
  180   1HD   ARG  52          1HD       ARG  52  -9.877  -5.972  -3.253
  181   2HD   ARG  52          2HD       ARG  52  -8.924  -5.522  -1.838
  182    HE   ARG  52           HE       ARG  52  -7.671  -4.025  -3.384
  183   1HH1  ARG  52          1HH1      ARG  52 -10.917  -5.045  -4.241
  184   2HH1  ARG  52          2HH1      ARG  52 -11.276  -3.574  -5.106
  185   1HH2  ARG  52          1HH2      ARG  52  -8.128  -2.126  -4.545
  186   2HH2  ARG  52          2HH2      ARG  52  -9.691  -1.920  -5.276
  187    H    ASP  53           H        ASP  53  -8.728 -11.199  -1.914
  188    HA   ASP  53           HA       ASP  53  -8.027 -11.723   0.806
  189   1HB   ASP  53          1HB       ASP  53  -8.197 -13.478  -1.640
  190   2HB   ASP  53          2HB       ASP  53  -7.608 -14.091  -0.099
  191    HA   PRO  54           HA       PRO  54  -3.784 -11.085   1.095
  192   1HB   PRO  54          1HB       PRO  54  -3.523 -13.916   2.012
  193   2HB   PRO  54          2HB       PRO  54  -2.926 -12.428   2.757
  194   1HG   PRO  54          1HG       PRO  54  -5.083 -13.616   3.726
  195   2HG   PRO  54          2HG       PRO  54  -5.013 -11.847   3.592
  196   1HD   PRO  54          1HD       PRO  54  -6.466 -13.823   1.886
  197   2HD   PRO  54          2HD       PRO  54  -6.951 -12.191   2.385
  198    H    LYS  55           H        LYS  55  -4.629 -14.139  -0.518
  199    HA   LYS  55           HA       LYS  55  -2.011 -14.061  -1.852
  200   1HB   LYS  55          1HB       LYS  55  -3.941 -16.338  -1.413
  201   2HB   LYS  55          2HB       LYS  55  -2.491 -16.464  -2.403
  202   1HG   LYS  55          1HG       LYS  55  -1.095 -15.978  -0.489
  203   2HG   LYS  55          2HG       LYS  55  -2.520 -15.721   0.515
  204   1HD   LYS  55          1HD       LYS  55  -1.559 -17.915   0.928
  205   2HD   LYS  55          2HD       LYS  55  -3.158 -18.068   0.200
  206   1HE   LYS  55          1HE       LYS  55  -1.492 -19.640  -0.737
  207   2HE   LYS  55          2HE       LYS  55  -2.191 -18.559  -1.942
  208   1HZ   LYS  55          1HZ       LYS  55   0.286 -18.903  -2.054
  209   2HZ   LYS  55          2HZ       LYS  55   0.409 -17.995  -0.622
  210   3HZ   LYS  55          3HZ       LYS  55  -0.235 -17.296  -2.026
  211    H    GLN  56           H        GLN  56  -4.700 -12.668  -2.556
  212    HA   GLN  56           HA       GLN  56  -5.050 -13.715  -5.269
  213   1HB   GLN  56          1HB       GLN  56  -6.512 -11.572  -3.728
  214   2HB   GLN  56          2HB       GLN  56  -6.833 -11.936  -5.416
  215   1HG   GLN  56          1HG       GLN  56  -7.432 -14.238  -4.774
  216   2HG   GLN  56          2HG       GLN  56  -7.190 -13.799  -3.082
  217   1HE2  GLN  56          1HE2      GLN  56  -9.610 -14.702  -4.458
  218   2HE2  GLN  56          2HE2      GLN  56 -10.790 -13.458  -4.199
  219    H    VAL  57           H        VAL  57  -3.098 -11.522  -3.720
  220    HA   VAL  57           HA       VAL  57  -3.058  -9.653  -5.985
  221    HB   VAL  57           HB       VAL  57  -1.632  -8.400  -4.500
  222   1HG1  VAL  57          1HG1      VAL  57  -3.670  -7.471  -3.463
  223   2HG1  VAL  57          2HG1      VAL  57  -4.572  -8.902  -3.967
  224   3HG1  VAL  57          3HG1      VAL  57  -3.901  -7.808  -5.178
  225   1HG2  VAL  57          1HG2      VAL  57  -2.931 -10.285  -2.529
  226   2HG2  VAL  57          2HG2      VAL  57  -2.058  -8.804  -2.128
  227   3HG2  VAL  57          3HG2      VAL  57  -1.205 -10.157  -2.867
  228    H    ILE  58           H        ILE  58  -1.670 -12.317  -5.819
  229    HA   ILE  58           HA       ILE  58   1.113 -11.488  -5.755
  230    HB   ILE  58           HB       ILE  58  -0.104 -14.042  -6.279
  231   1HG1  ILE  58          1HG1      ILE  58   1.143 -12.788  -3.835
  232   2HG1  ILE  58          2HG1      ILE  58  -0.546 -13.233  -4.038
  233   1HG2  ILE  58          1HG2      ILE  58   2.763 -13.209  -5.820
  234   2HG2  ILE  58          2HG2      ILE  58   2.093 -13.834  -7.327
  235   3HG2  ILE  58          3HG2      ILE  58   2.181 -14.870  -5.901
  236   1HD1  ILE  58          1HD1      ILE  58   0.114 -15.590  -4.188
  237   2HD1  ILE  58          2HD1      ILE  58   0.601 -14.848  -2.664
  238   3HD1  ILE  58          3HD1      ILE  58   1.795 -15.118  -3.934
  239    H    GLY  59           H        GLY  59   2.093 -10.761  -7.468
  240   1HA   GLY  59          1HA       GLY  59   2.722 -10.781  -9.767
  241   2HA   GLY  59          2HA       GLY  59   1.233 -11.652 -10.129
  242    H    LYS  60           H        LYS  60   0.134  -9.609  -8.065
  243    HA   LYS  60           HA       LYS  60  -1.019  -7.899 -10.058
  244   1HB   LYS  60          1HB       LYS  60  -1.525  -8.723  -7.297
  245   2HB   LYS  60          2HB       LYS  60  -1.860  -7.015  -7.590
  246   1HG   LYS  60          1HG       LYS  60  -3.842  -8.401  -7.886
  247   2HG   LYS  60          2HG       LYS  60  -3.387  -7.585  -9.380
  248   1HD   LYS  60          1HD       LYS  60  -2.294  -9.663 -10.141
  249   2HD   LYS  60          2HD       LYS  60  -2.835 -10.465  -8.665
  250   1HE   LYS  60          1HE       LYS  60  -4.333 -10.983 -10.505
  251   2HE   LYS  60          2HE       LYS  60  -5.166 -10.016  -9.287
  252   1HZ   LYS  60          1HZ       LYS  60  -4.017  -8.987 -11.831
  253   2HZ   LYS  60          2HZ       LYS  60  -4.814  -8.049 -10.664
  254   3HZ   LYS  60          3HZ       LYS  60  -5.666  -9.240 -11.521
  255    H    ASN  61           H        ASN  61  -0.829  -5.669 -10.185
  256    HA   ASN  61           HA       ASN  61   1.407  -4.496  -8.675
  257   1HB   ASN  61          1HB       ASN  61   1.539  -4.454 -11.188
  258   2HB   ASN  61          2HB       ASN  61   0.114  -3.419 -11.189
  259   1HD2  ASN  61          1HD2      ASN  61   3.512  -3.622 -10.584
  260   2HD2  ASN  61          2HD2      ASN  61   3.773  -1.929 -10.328
  261    H    PHE  62           H        PHE  62   0.785  -3.365  -6.970
  262    HA   PHE  62           HA       PHE  62  -1.798  -2.664  -6.291
  263   1HB   PHE  62          1HB       PHE  62   0.106  -2.705  -4.716
  264   2HB   PHE  62          2HB       PHE  62   0.724  -1.228  -5.445
  265    HD1  PHE  62           HD1      PHE  62   0.087   0.831  -4.602
  266    HD2  PHE  62           HD2      PHE  62  -2.275  -2.598  -3.724
  267    HE1  PHE  62           HE1      PHE  62  -1.270   2.168  -3.048
  268    HE2  PHE  62           HE2      PHE  62  -3.639  -1.264  -2.166
  269    HZ   PHE  62           HZ       PHE  62  -3.134   1.124  -1.829
  270    H    PHE  63           H        PHE  63   0.647  -0.620  -7.840
  271    HA   PHE  63           HA       PHE  63  -0.970   1.731  -7.580
  272   1HB   PHE  63          1HB       PHE  63   1.600   1.288  -9.107
  273   2HB   PHE  63          2HB       PHE  63   0.880   2.851  -8.736
  274    HD1  PHE  63           HD1      PHE  63   2.663  -0.042  -7.371
  275    HD2  PHE  63           HD2      PHE  63   1.006   3.783  -6.525
  276    HE1  PHE  63           HE1      PHE  63   3.885   0.007  -5.235
  277    HE2  PHE  63           HE2      PHE  63   2.225   3.840  -4.389
  278    HZ   PHE  63           HZ       PHE  63   3.665   1.953  -3.741
  279    H    LYS  64           H        LYS  64  -1.471  -0.742  -9.570
  280    HA   LYS  64           HA       LYS  64  -2.478   0.993 -11.697
  281   1HB   LYS  64          1HB       LYS  64  -0.701  -1.394 -12.155
  282   2HB   LYS  64          2HB       LYS  64  -1.614  -0.578 -13.421
  283   1HG   LYS  64          1HG       LYS  64  -0.411   1.478 -13.005
  284   2HG   LYS  64          2HG       LYS  64   0.462   0.721 -11.673
  285   1HD   LYS  64          1HD       LYS  64   1.444  -0.876 -13.251
  286   2HD   LYS  64          2HD       LYS  64   0.594  -0.069 -14.571
  287   1HE   LYS  64          1HE       LYS  64   1.798   1.976 -14.159
  288   2HE   LYS  64          2HE       LYS  64   2.565   1.277 -12.735
  289   1HZ   LYS  64          1HZ       LYS  64   2.951   0.368 -15.537
  290   2HZ   LYS  64          2HZ       LYS  64   3.688  -0.313 -14.170
  291   3HZ   LYS  64          3HZ       LYS  64   4.053   1.281 -14.627
  292    H    ASP  65           H        ASP  65  -2.399  -2.330 -10.402
  293    HA   ASP  65           HA       ASP  65  -4.902  -2.874 -11.831
  294   1HB   ASP  65          1HB       ASP  65  -3.039  -4.447 -12.142
  295   2HB   ASP  65          2HB       ASP  65  -3.012  -4.757 -10.410
  296    H    VAL  66           H        VAL  66  -3.682  -2.398  -8.607
  297    HA   VAL  66           HA       VAL  66  -6.320  -3.226  -7.570
  298    HB   VAL  66           HB       VAL  66  -4.037  -3.019  -5.896
  299   1HG1  VAL  66          1HG1      VAL  66  -5.254  -4.832  -4.760
  300   2HG1  VAL  66          2HG1      VAL  66  -6.509  -4.738  -5.995
  301   3HG1  VAL  66          3HG1      VAL  66  -6.224  -3.367  -4.925
  302   1HG2  VAL  66          1HG2      VAL  66  -3.493  -5.355  -6.340
  303   2HG2  VAL  66          2HG2      VAL  66  -3.187  -4.329  -7.741
  304   3HG2  VAL  66          3HG2      VAL  66  -4.622  -5.356  -7.696
  305    H    ALA  67           H        ALA  67  -4.975  -0.589  -8.469
  306    HA   ALA  67           HA       ALA  67  -6.383   1.240  -6.979
  307   1HB   ALA  67          1HB       ALA  67  -5.016   0.603  -5.042
  308   2HB   ALA  67          2HB       ALA  67  -4.724   2.277  -5.513
  309   3HB   ALA  67          3HB       ALA  67  -3.554   1.027  -5.934
  310    HA   PRO  68           HA       PRO  68  -4.099   3.102 -10.454
  311   1HB   PRO  68          1HB       PRO  68  -6.287   3.489 -12.062
  312   2HB   PRO  68          2HB       PRO  68  -5.326   2.009 -12.038
  313   1HG   PRO  68          1HG       PRO  68  -8.040   2.414 -11.141
  314   2HG   PRO  68          2HG       PRO  68  -7.127   0.902 -11.247
  315   1HD   PRO  68          1HD       PRO  68  -7.643   2.614  -8.914
  316   2HD   PRO  68          2HD       PRO  68  -7.130   0.916  -8.974
  317    H    CYS  69           H        CYS  69  -5.247   4.483  -8.027
  318    HA   CYS  69           HA       CYS  69  -5.585   7.066  -9.401
  319   1HB   CYS  69          1HB       CYS  69  -6.910   7.941  -7.617
  320   2HB   CYS  69          2HB       CYS  69  -7.619   6.398  -8.068
  321    H    THR  70           H        THR  70  -3.190   5.668  -8.727
  322    HA   THR  70           HA       THR  70  -2.568   6.517  -5.990
  323    HB   THR  70           HB       THR  70  -2.176   4.010  -7.348
  324    HG1  THR  70           HG1      THR  70  -3.967   3.677  -5.605
  325   1HG2  THR  70          1HG2      THR  70  -1.987   4.827  -4.459
  326   2HG2  THR  70          2HG2      THR  70  -0.630   4.413  -5.504
  327   3HG2  THR  70          3HG2      THR  70  -1.828   3.188  -5.090
  328    H    ASP  71           H        ASP  71  -1.197   5.255  -9.028
  329    HA   ASP  71           HA       ASP  71   1.505   5.756  -8.192
  330   1HB   ASP  71          1HB       ASP  71   2.205   5.056 -10.349
  331   2HB   ASP  71          2HB       ASP  71   0.837   4.038  -9.930
  332    H    SER  72           H        SER  72   2.134   7.729  -7.771
  333    HA   SER  72           HA       SER  72   1.943   9.865  -9.666
  334   1HB   SER  72          1HB       SER  72   0.270  10.020  -7.136
  335   2HB   SER  72          2HB       SER  72   0.567  11.365  -8.235
  336    HG   SER  72           HG       SER  72  -0.356   9.224  -9.591
  337    HA   PRO  73           HA       PRO  73   5.407  11.569  -7.466
  338   1HB   PRO  73          1HB       PRO  73   4.376  14.106  -6.793
  339   2HB   PRO  73          2HB       PRO  73   5.315  13.692  -8.229
  340   1HG   PRO  73          1HG       PRO  73   2.370  13.966  -7.899
  341   2HG   PRO  73          2HG       PRO  73   3.387  14.333  -9.305
  342   1HD   PRO  73          1HD       PRO  73   1.842  12.154  -9.241
  343   2HD   PRO  73          2HD       PRO  73   3.452  12.115  -9.990
  344    H    GLU  74           H        GLU  74   2.229  12.023  -5.968
  345    HA   GLU  74           HA       GLU  74   3.195  12.368  -3.330
  346   1HB   GLU  74          1HB       GLU  74   0.524  11.482  -4.401
  347   2HB   GLU  74          2HB       GLU  74   0.849  11.618  -2.683
  348   1HG   GLU  74          1HG       GLU  74  -0.222  13.587  -3.272
  349   2HG   GLU  74          2HG       GLU  74   1.477  14.016  -3.127
  350    H    PHE  75           H        PHE  75   1.073   9.682  -4.056
  351    HA   PHE  75           HA       PHE  75   2.075   8.213  -1.907
  352   1HB   PHE  75          1HB       PHE  75  -0.219   8.054  -2.860
  353   2HB   PHE  75          2HB       PHE  75   0.445   7.139  -4.210
  354    HD1  PHE  75           HD1      PHE  75   1.214   4.851  -3.897
  355    HD2  PHE  75           HD2      PHE  75  -0.402   7.088  -0.660
  356    HE1  PHE  75           HE1      PHE  75   0.983   2.782  -2.585
  357    HE2  PHE  75           HE2      PHE  75  -0.641   5.022   0.655
  358    HZ   PHE  75           HZ       PHE  75   0.054   2.866  -0.308
  359    H    TYR  76           H        TYR  76   2.409   7.487  -5.396
  360    HA   TYR  76           HA       TYR  76   4.199   5.330  -4.932
  361   1HB   TYR  76          1HB       TYR  76   2.857   5.548  -7.012
  362   2HB   TYR  76          2HB       TYR  76   3.840   6.934  -7.477
  363    HD1  TYR  76           HD1      TYR  76   5.691   6.594  -8.813
  364    HD2  TYR  76           HD2      TYR  76   4.199   3.328  -6.535
  365    HE1  TYR  76           HE1      TYR  76   7.302   5.106  -9.915
  366    HE2  TYR  76           HE2      TYR  76   5.815   1.825  -7.630
  367    HH   TYR  76           HH       TYR  76   8.433   2.938  -9.453
  368    H    GLY  77           H        GLY  77   4.628   8.747  -5.642
  369   1HA   GLY  77          1HA       GLY  77   7.383   8.742  -6.153
  370   2HA   GLY  77          2HA       GLY  77   6.464  10.115  -5.554
  371    H    LYS  78           H        LYS  78   5.660   9.252  -3.065
  372    HA   LYS  78           HA       LYS  78   8.142   9.513  -1.632
  373   1HB   LYS  78          1HB       LYS  78   5.350   9.074  -0.561
  374   2HB   LYS  78          2HB       LYS  78   6.753   9.521   0.396
  375   1HG   LYS  78          1HG       LYS  78   5.544  11.205  -1.792
  376   2HG   LYS  78          2HG       LYS  78   5.248  11.416  -0.068
  377   1HD   LYS  78          1HD       LYS  78   6.877  13.021  -0.589
  378   2HD   LYS  78          2HD       LYS  78   7.782  11.702   0.152
  379   1HE   LYS  78          1HE       LYS  78   8.543  10.933  -1.977
  380   2HE   LYS  78          2HE       LYS  78   7.464  12.038  -2.825
  381   1HZ   LYS  78          1HZ       LYS  78   9.924  12.658  -2.601
  382   2HZ   LYS  78          2HZ       LYS  78   9.541  13.074  -0.998
  383   3HZ   LYS  78          3HZ       LYS  78   8.766  13.854  -2.286
  384    H    PHE  79           H        PHE  79   5.942   6.922  -2.388
  385    HA   PHE  79           HA       PHE  79   6.875   4.925  -0.662
  386   1HB   PHE  79          1HB       PHE  79   4.884   4.679  -2.086
  387   2HB   PHE  79          2HB       PHE  79   5.896   4.704  -3.522
  388    HD1  PHE  79           HD1      PHE  79   4.742   2.714  -0.684
  389    HD2  PHE  79           HD2      PHE  79   7.230   2.786  -4.134
  390    HE1  PHE  79           HE1      PHE  79   4.941   0.267  -0.589
  391    HE2  PHE  79           HE2      PHE  79   7.433   0.340  -4.043
  392    HZ   PHE  79           HZ       PHE  79   6.288  -0.916  -2.268
  393    H    LYS  80           H        LYS  80   8.053   6.070  -3.767
  394    HA   LYS  80           HA       LYS  80  10.226   4.152  -3.815
  395   1HB   LYS  80          1HB       LYS  80   9.529   6.412  -5.696
  396   2HB   LYS  80          2HB       LYS  80  10.782   5.207  -5.975
  397   1HG   LYS  80          1HG       LYS  80   7.849   4.605  -5.651
  398   2HG   LYS  80          2HG       LYS  80   8.694   4.740  -7.195
  399   1HD   LYS  80          1HD       LYS  80   9.451   2.790  -5.020
  400   2HD   LYS  80          2HD       LYS  80   8.381   2.395  -6.371
  401   1HE   LYS  80          1HE       LYS  80  11.256   3.292  -6.559
  402   2HE   LYS  80          2HE       LYS  80  10.654   1.657  -6.829
  403   1HZ   LYS  80          1HZ       LYS  80  10.927   2.607  -8.943
  404   2HZ   LYS  80          2HZ       LYS  80  10.199   4.068  -8.490
  405   3HZ   LYS  80          3HZ       LYS  80   9.257   2.669  -8.658
  406    H    GLU  81           H        GLU  81   9.695   7.166  -2.459
  407    HA   GLU  81           HA       GLU  81  12.162   8.456  -2.980
  408   1HB   GLU  81          1HB       GLU  81   9.977   9.481  -2.108
  409   2HB   GLU  81          2HB       GLU  81  10.475   8.906  -0.524
  410   1HG   GLU  81          1HG       GLU  81  11.095  11.206  -0.760
  411   2HG   GLU  81          2HG       GLU  81  12.554  10.215  -0.737
  412    H    GLY  82           H        GLY  82  11.025   6.358  -0.382
  413   1HA   GLY  82          1HA       GLY  82  13.421   6.554   1.172
  414   2HA   GLY  82          2HA       GLY  82  12.162   5.336   1.350
  415    H    VAL  83           H        VAL  83  12.272   4.479  -1.373
  416    HA   VAL  83           HA       VAL  83  14.279   2.498  -1.266
  417    HB   VAL  83           HB       VAL  83  12.940   3.528  -3.586
  418   1HG1  VAL  83          1HG1      VAL  83  13.191   1.203  -4.319
  419   2HG1  VAL  83          2HG1      VAL  83  14.076   0.837  -2.838
  420   3HG1  VAL  83          3HG1      VAL  83  14.754   1.961  -4.016
  421   1HG2  VAL  83          1HG2      VAL  83  11.972   1.566  -1.523
  422   2HG2  VAL  83          2HG2      VAL  83  11.191   1.919  -3.064
  423   3HG2  VAL  83          3HG2      VAL  83  11.309   3.172  -1.829
  424    H    ALA  84           H        ALA  84  13.935   5.424  -3.251
  425    HA   ALA  84           HA       ALA  84  16.278   5.126  -4.758
  426   1HB   ALA  84          1HB       ALA  84  16.011   7.475  -5.330
  427   2HB   ALA  84          2HB       ALA  84  14.859   7.678  -4.010
  428   3HB   ALA  84          3HB       ALA  84  14.460   6.638  -5.376
  429    H    SER  85           H        SER  85  15.736   6.696  -1.643
  430    HA   SER  85           HA       SER  85  18.411   7.723  -1.509
  431   1HB   SER  85          1HB       SER  85  17.728   8.130   0.941
  432   2HB   SER  85          2HB       SER  85  16.828   8.993  -0.306
  433    HG   SER  85           HG       SER  85  15.093   7.764   0.052
  434    H    GLY  86           H        GLY  86  16.764   5.485   0.709
  435   1HA   GLY  86          1HA       GLY  86  18.794   3.484   0.464
  436   2HA   GLY  86          2HA       GLY  86  18.971   4.425   1.939
  437    H    ASN  87           H        ASN  87  16.890   4.665   3.214
  438    HA   ASN  87           HA       ASN  87  15.374   2.144   3.130
  439   1HB   ASN  87          1HB       ASN  87  15.460   1.996   5.559
  440   2HB   ASN  87          2HB       ASN  87  17.097   2.050   4.913
  441   1HD2  ASN  87          1HD2      ASN  87  18.340   3.911   5.201
  442   2HD2  ASN  87          2HD2      ASN  87  17.945   5.081   6.418
  443    H    LEU  88           H        LEU  88  13.295   2.249   4.193
  444    HA   LEU  88           HA       LEU  88  12.250   4.931   4.602
  445   1HB   LEU  88          1HB       LEU  88  10.230   4.431   3.289
  446   2HB   LEU  88          2HB       LEU  88  11.677   4.489   2.307
  447    HG   LEU  88           HG       LEU  88  10.545   1.871   3.266
  448   1HD1  LEU  88          1HD1      LEU  88   9.360   1.689   1.149
  449   2HD1  LEU  88          2HD1      LEU  88   9.862   3.322   0.710
  450   3HD1  LEU  88          3HD1      LEU  88   8.769   3.069   2.071
  451   1HD2  LEU  88          1HD2      LEU  88  12.272   2.635   0.911
  452   2HD2  LEU  88          2HD2      LEU  88  11.715   1.007   1.298
  453   3HD2  LEU  88          3HD2      LEU  88  12.823   1.840   2.387
  454    H    ASN  89           H        ASN  89  10.889   5.077   6.243
  455    HA   ASN  89           HA       ASN  89   9.152   2.982   7.055
  456   1HB   ASN  89          1HB       ASN  89   9.999   2.579   9.275
  457   2HB   ASN  89          2HB       ASN  89  11.249   2.174   8.112
  458   1HD2  ASN  89          1HD2      ASN  89  11.604   2.718  10.884
  459   2HD2  ASN  89          2HD2      ASN  89  12.633   4.111  11.003
  460    H    THR  90           H        THR  90   8.523   5.261   6.134
  461    HA   THR  90           HA       THR  90   8.183   7.169   8.333
  462    HB   THR  90           HB       THR  90   7.670   7.594   5.545
  463    HG1  THR  90           HG1      THR  90  10.049   8.493   6.149
  464   1HG2  THR  90          1HG2      THR  90   8.492   9.354   7.850
  465   2HG2  THR  90          2HG2      THR  90   6.894   9.292   7.107
  466   3HG2  THR  90          3HG2      THR  90   8.275   9.879   6.180
  467    H    MET  91           H        MET  91   6.144   8.132   8.638
  468    HA   MET  91           HA       MET  91   3.886   6.696   7.414
  469   1HB   MET  91          1HB       MET  91   2.556   7.399   9.381
  470   2HB   MET  91          2HB       MET  91   3.919   6.379   9.810
  471   1HG   MET  91          1HG       MET  91   5.172   8.323  10.546
  472   2HG   MET  91          2HG       MET  91   3.843   9.378  10.067
  473   1HE   MET  91          1HE       MET  91   3.761   9.538  13.984
  474   2HE   MET  91          2HE       MET  91   3.901  10.463  12.489
  475   3HE   MET  91          3HE       MET  91   5.200   9.376  12.980
  476    H    PHE  92           H        PHE  92   2.920   7.788   5.878
  477    HA   PHE  92           HA       PHE  92   2.705  10.725   6.124
  478   1HB   PHE  92          1HB       PHE  92   4.168   9.810   4.225
  479   2HB   PHE  92          2HB       PHE  92   2.679   9.195   3.522
  480    HD1  PHE  92           HD1      PHE  92   1.070  10.668   2.514
  481    HD2  PHE  92           HD2      PHE  92   4.606  12.208   4.318
  482    HE1  PHE  92           HE1      PHE  92   0.673  12.840   1.432
  483    HE2  PHE  92           HE2      PHE  92   4.213  14.383   3.246
  484    HZ   PHE  92           HZ       PHE  92   2.275  14.687   1.751
  485    H    GLU  93           H        GLU  93   0.718  11.632   5.234
  486    HA   GLU  93           HA       GLU  93  -1.499   9.745   5.587
  487   1HB   GLU  93          1HB       GLU  93  -2.835  11.901   5.950
  488   2HB   GLU  93          2HB       GLU  93  -1.708  11.413   7.210
  489   1HG   GLU  93          1HG       GLU  93  -0.073  13.004   6.396
  490   2HG   GLU  93          2HG       GLU  93  -1.157  13.468   5.084
  491    H    TYR  94           H        TYR  94  -2.686   9.201   3.928
  492    HA   TYR  94           HA       TYR  94  -2.685  10.914   1.537
  493   1HB   TYR  94          1HB       TYR  94  -2.204   7.953   1.722
  494   2HB   TYR  94          2HB       TYR  94  -2.806   8.692   0.245
  495    HD1  TYR  94           HD1      TYR  94   0.055   7.692   1.962
  496    HD2  TYR  94           HD2      TYR  94  -1.390  10.787  -0.572
  497    HE1  TYR  94           HE1      TYR  94   2.368   8.236   1.331
  498    HE2  TYR  94           HE2      TYR  94   0.913  11.343  -1.220
  499    HH   TYR  94           HH       TYR  94   3.192  11.084  -0.312
  500    H    THR  95           H        THR  95  -4.464  10.339   0.018
  501    HA   THR  95           HA       THR  95  -6.878   9.630   1.526
  502    HB   THR  95           HB       THR  95  -6.646  10.898  -1.040
  503    HG1  THR  95           HG1      THR  95  -5.980  11.770   1.427
  504   1HG2  THR  95          1HG2      THR  95  -8.883  11.695  -0.460
  505   2HG2  THR  95          2HG2      THR  95  -8.839  10.734   1.020
  506   3HG2  THR  95          3HG2      THR  95  -8.826   9.935  -0.552
  507    H    PHE  96           H        PHE  96  -8.151   7.952   0.873
  508    HA   PHE  96           HA       PHE  96  -7.322   6.459  -1.532
  509   1HB   PHE  96          1HB       PHE  96  -8.889   5.628   0.917
  510   2HB   PHE  96          2HB       PHE  96  -8.817   4.646  -0.541
  511    HD1  PHE  96           HD1      PHE  96  -5.873   5.384  -1.149
  512    HD2  PHE  96           HD2      PHE  96  -7.879   3.991   2.337
  513    HE1  PHE  96           HE1      PHE  96  -3.776   4.379  -0.348
  514    HE2  PHE  96           HE2      PHE  96  -5.786   2.982   3.144
  515    HZ   PHE  96           HZ       PHE  96  -3.750   3.120   1.783
  516    H    ASP  97           H        ASP  97  -8.559   6.626  -3.264
  517    HA   ASP  97           HA       ASP  97 -11.322   7.542  -3.030
  518   1HB   ASP  97          1HB       ASP  97  -9.632   9.492  -3.112
  519   2HB   ASP  97          2HB       ASP  97  -9.344   9.012  -4.782
  520    H    TYR  98           H        TYR  98 -11.581   8.176  -5.802
  521    HA   TYR  98           HA       TYR  98 -11.841   7.290  -7.873
  522   1HB   TYR  98          1HB       TYR  98  -9.428   6.931  -7.856
  523   2HB   TYR  98          2HB       TYR  98  -9.640   5.410  -7.003
  524    HD1  TYR  98           HD1      TYR  98  -9.989   3.404  -8.183
  525    HD2  TYR  98           HD2      TYR  98 -10.320   7.135 -10.215
  526    HE1  TYR  98           HE1      TYR  98 -10.089   2.224 -10.339
  527    HE2  TYR  98           HE2      TYR  98 -10.421   5.959 -12.371
  528    HH   TYR  98           HH       TYR  98  -9.614   3.723 -13.275
  529    H    GLN  99           H        GLN  99 -11.029   4.284  -6.180
  530    HA   GLN  99           HA       GLN  99 -13.733   3.306  -6.798
  531   1HB   GLN  99          1HB       GLN  99 -12.803   1.055  -6.648
  532   2HB   GLN  99          2HB       GLN  99 -11.905   2.014  -7.815
  533   1HG   GLN  99          1HG       GLN  99 -10.161   2.397  -6.143
  534   2HG   GLN  99          2HG       GLN  99 -11.055   1.397  -4.998
  535   1HE2  GLN  99          1HE2      GLN  99  -9.095   1.435  -7.838
  536   2HE2  GLN  99          2HE2      GLN  99  -8.833  -0.273  -7.931
  537    H    MET 100           H        MET 100 -11.384   3.872  -4.303
  538    HA   MET 100           HA       MET 100 -13.090   2.826  -2.203
  539   1HB   MET 100          1HB       MET 100 -10.618   2.788  -1.974
  540   2HB   MET 100          2HB       MET 100 -10.606   4.546  -2.030
  541   1HG   MET 100          1HG       MET 100 -10.396   3.779   0.243
  542   2HG   MET 100          2HG       MET 100 -11.925   4.626   0.018
  543   1HE   MET 100          1HE       MET 100 -11.510   0.042   0.359
  544   2HE   MET 100          2HE       MET 100 -10.163   1.166   0.526
  545   3HE   MET 100          3HE       MET 100 -10.944   0.953  -1.041
  546    H    THR 101           H        THR 101 -14.505   4.048  -0.982
  547    HA   THR 101           HA       THR 101 -15.198   6.639  -1.894
  548    HB   THR 101           HB       THR 101 -16.577   5.127  -0.759
  549    HG1  THR 101           HG1      THR 101 -16.918   7.447  -1.028
  550   1HG2  THR 101          1HG2      THR 101 -16.578   5.229   1.699
  551   2HG2  THR 101          2HG2      THR 101 -15.006   6.029   1.639
  552   3HG2  THR 101          3HG2      THR 101 -15.182   4.381   1.036
  553    HA   PRO 102           HA       PRO 102 -11.916   9.147  -0.604
  554   1HB   PRO 102          1HB       PRO 102 -14.006  10.903   0.606
  555   2HB   PRO 102          2HB       PRO 102 -12.664  11.323  -0.463
  556   1HG   PRO 102          1HG       PRO 102 -15.177  11.100  -1.372
  557   2HG   PRO 102          2HG       PRO 102 -13.779  10.637  -2.356
  558   1HD   PRO 102          1HD       PRO 102 -15.808   8.938  -1.054
  559   2HD   PRO 102          2HD       PRO 102 -14.758   8.586  -2.438
  560    H    THR 103           H        THR 103 -11.128   7.650   1.009
  561    HA   THR 103           HA       THR 103 -11.730   8.579   3.737
  562    HB   THR 103           HB       THR 103 -10.412   6.704   4.360
  563    HG1  THR 103           HG1      THR 103 -10.299   5.066   2.777
  564   1HG2  THR 103          1HG2      THR 103 -12.349   5.236   4.107
  565   2HG2  THR 103          2HG2      THR 103 -13.045   6.366   2.944
  566   3HG2  THR 103          3HG2      THR 103 -12.811   6.858   4.622
  567    H    LYS 104           H        LYS 104 -10.022   9.023   5.196
  568    HA   LYS 104           HA       LYS 104  -7.539   9.805   3.838
  569   1HB   LYS 104          1HB       LYS 104  -8.915  11.645   4.839
  570   2HB   LYS 104          2HB       LYS 104  -8.658  10.918   6.417
  571   1HG   LYS 104          1HG       LYS 104  -6.351  11.391   6.377
  572   2HG   LYS 104          2HG       LYS 104  -6.385  11.769   4.654
  573   1HD   LYS 104          1HD       LYS 104  -7.782  13.732   5.114
  574   2HD   LYS 104          2HD       LYS 104  -7.736  13.354   6.837
  575   1HE   LYS 104          1HE       LYS 104  -5.253  13.827   5.206
  576   2HE   LYS 104          2HE       LYS 104  -6.115  15.128   6.026
  577   1HZ   LYS 104          1HZ       LYS 104  -4.199  14.111   7.267
  578   2HZ   LYS 104          2HZ       LYS 104  -5.155  12.716   7.454
  579   3HZ   LYS 104          3HZ       LYS 104  -5.669  14.188   8.113
  580    H    VAL 105           H        VAL 105  -5.833   8.623   4.282
  581    HA   VAL 105           HA       VAL 105  -5.889   6.997   6.735
  582    HB   VAL 105           HB       VAL 105  -6.405   5.904   4.775
  583   1HG1  VAL 105          1HG1      VAL 105  -4.653   5.448   3.146
  584   2HG1  VAL 105          2HG1      VAL 105  -3.581   6.570   3.985
  585   3HG1  VAL 105          3HG1      VAL 105  -5.047   7.165   3.207
  586   1HG2  VAL 105          1HG2      VAL 105  -4.932   4.036   5.149
  587   2HG2  VAL 105          2HG2      VAL 105  -5.456   4.745   6.677
  588   3HG2  VAL 105          3HG2      VAL 105  -3.833   5.067   6.064
  589    H    LYS 106           H        LYS 106  -3.870   6.432   7.634
  590    HA   LYS 106           HA       LYS 106  -1.594   8.052   6.736
  591   1HB   LYS 106          1HB       LYS 106  -2.206   8.517   9.056
  592   2HB   LYS 106          2HB       LYS 106  -2.139   6.801   9.438
  593   1HG   LYS 106          1HG       LYS 106   0.239   6.756   9.066
  594   2HG   LYS 106          2HG       LYS 106   0.216   8.431   8.510
  595   1HD   LYS 106          1HD       LYS 106  -0.621   7.558  11.269
  596   2HD   LYS 106          2HD       LYS 106   0.997   8.135  10.863
  597   1HE   LYS 106          1HE       LYS 106   0.042  10.258  10.105
  598   2HE   LYS 106          2HE       LYS 106  -1.572   9.678  10.515
  599   1HZ   LYS 106          1HZ       LYS 106  -0.863   9.500  12.828
  600   2HZ   LYS 106          2HZ       LYS 106  -0.709  11.083  12.251
  601   3HZ   LYS 106          3HZ       LYS 106   0.664  10.110  12.418
  602    H    VAL 107           H        VAL 107  -0.087   6.990   5.698
  603    HA   VAL 107           HA       VAL 107  -0.157   4.058   5.790
  604    HB   VAL 107           HB       VAL 107   0.887   5.924   3.869
  605   1HG1  VAL 107          1HG1      VAL 107   0.719   2.909   3.872
  606   2HG1  VAL 107          2HG1      VAL 107   2.197   3.869   3.921
  607   3HG1  VAL 107          3HG1      VAL 107   1.170   3.905   2.488
  608   1HG2  VAL 107          1HG2      VAL 107  -1.528   5.928   3.966
  609   2HG2  VAL 107          2HG2      VAL 107  -1.550   4.167   3.867
  610   3HG2  VAL 107          3HG2      VAL 107  -0.961   5.119   2.504
  611    H    HIS 108           H        HIS 108   1.397   3.184   6.931
  612    HA   HIS 108           HA       HIS 108   3.946   4.619   7.215
  613   1HB   HIS 108          1HB       HIS 108   2.698   3.939   9.301
  614   2HB   HIS 108          2HB       HIS 108   2.936   2.261   8.830
  615    HD1  HIS 108           HD1      HIS 108   4.590   1.392  10.479
  616    HD2  HIS 108           HD2      HIS 108   5.668   5.126   8.995
  617    HE1  HIS 108           HE1      HIS 108   6.856   1.886  11.456
  618    HE2  HIS 108           HE2      HIS 108   7.382   4.236  10.711
  619    H    MET 109           H        MET 109   5.276   4.044   5.638
  620    HA   MET 109           HA       MET 109   5.263   1.239   4.740
  621   1HB   MET 109          1HB       MET 109   6.340   2.010   2.686
  622   2HB   MET 109          2HB       MET 109   4.845   2.889   2.961
  623   1HG   MET 109          1HG       MET 109   7.520   4.001   3.742
  624   2HG   MET 109          2HG       MET 109   6.853   4.199   2.122
  625   1HE   MET 109          1HE       MET 109   4.722   5.627   1.559
  626   2HE   MET 109          2HE       MET 109   3.650   6.316   2.780
  627   3HE   MET 109          3HE       MET 109   3.788   4.565   2.611
  628    H    LYS 110           H        LYS 110   7.007  -0.039   5.059
  629    HA   LYS 110           HA       LYS 110   9.507   1.192   5.915
  630   1HB   LYS 110          1HB       LYS 110   9.568  -0.277   7.952
  631   2HB   LYS 110          2HB       LYS 110   8.394   1.029   8.008
  632   1HG   LYS 110          1HG       LYS 110   6.704  -0.719   7.196
  633   2HG   LYS 110          2HG       LYS 110   7.920  -1.906   7.675
  634   1HD   LYS 110          1HD       LYS 110   6.782   0.230   9.472
  635   2HD   LYS 110          2HD       LYS 110   6.255  -1.454   9.449
  636   1HE   LYS 110          1HE       LYS 110   9.060  -0.529  10.052
  637   2HE   LYS 110          2HE       LYS 110   7.857  -0.941  11.270
  638   1HZ   LYS 110          1HZ       LYS 110   7.759  -3.190  10.272
  639   2HZ   LYS 110          2HZ       LYS 110   9.270  -2.805  10.936
  640   3HZ   LYS 110          3HZ       LYS 110   9.056  -2.766   9.256
  641    H    LYS 111           H        LYS 111  11.289  -0.045   5.584
  642    HA   LYS 111           HA       LYS 111  10.993  -1.924   3.458
  643   1HB   LYS 111          1HB       LYS 111  13.026  -0.250   4.449
  644   2HB   LYS 111          2HB       LYS 111  13.655  -1.881   4.619
  645   1HG   LYS 111          1HG       LYS 111  13.160  -2.276   2.230
  646   2HG   LYS 111          2HG       LYS 111  12.651  -0.591   2.096
  647   1HD   LYS 111          1HD       LYS 111  14.897   0.128   2.792
  648   2HD   LYS 111          2HD       LYS 111  15.400  -1.562   2.880
  649   1HE   LYS 111          1HE       LYS 111  14.913  -1.820   0.487
  650   2HE   LYS 111          2HE       LYS 111  14.436  -0.125   0.408
  651   1HZ   LYS 111          1HZ       LYS 111  16.735  -0.571  -0.354
  652   2HZ   LYS 111          2HZ       LYS 111  17.141  -1.044   1.218
  653   3HZ   LYS 111          3HZ       LYS 111  16.655   0.548   0.918
  654    H    ALA 112           H        ALA 112  10.817  -4.035   3.530
  655    HA   ALA 112           HA       ALA 112  11.860  -5.492   5.873
  656   1HB   ALA 112          1HB       ALA 112   9.426  -5.747   5.603
  657   2HB   ALA 112          2HB       ALA 112  10.274  -7.271   5.344
  658   3HB   ALA 112          3HB       ALA 112   9.679  -6.351   3.963
  659    H    LEU 113           H        LEU 113  13.939  -5.854   5.156
  660    HA   LEU 113           HA       LEU 113  14.446  -6.451   2.396
  661   1HB   LEU 113          1HB       LEU 113  15.977  -5.148   3.912
  662   2HB   LEU 113          2HB       LEU 113  16.387  -6.670   4.676
  663    HG   LEU 113           HG       LEU 113  17.285  -7.515   2.566
  664   1HD1  LEU 113          1HD1      LEU 113  15.831  -6.303   1.035
  665   2HD1  LEU 113          2HD1      LEU 113  17.528  -6.026   0.644
  666   3HD1  LEU 113          3HD1      LEU 113  16.605  -4.783   1.488
  667   1HD2  LEU 113          1HD2      LEU 113  18.377  -4.810   3.337
  668   2HD2  LEU 113          2HD2      LEU 113  19.237  -6.045   2.419
  669   3HD2  LEU 113          3HD2      LEU 113  18.782  -6.351   4.095
  670    H    SER 114           H        SER 114  13.196  -8.288   2.162
  671    HA   SER 114           HA       SER 114  14.679 -10.736   2.769
  672   1HB   SER 114          1HB       SER 114  12.726 -10.408   4.386
  673   2HB   SER 114          2HB       SER 114  11.662 -10.576   2.993
  674    HG   SER 114           HG       SER 114  13.548 -12.501   3.912
  675    H    GLY 115           H        GLY 115  14.429  -8.969   0.484
  676   1HA   GLY 115          1HA       GLY 115  14.399 -10.156  -1.784
  677   2HA   GLY 115          2HA       GLY 115  12.717 -10.473  -1.385
  678    H    ASP 116           H        ASP 116  14.212  -7.508  -0.425
  679    HA   ASP 116           HA       ASP 116  13.763  -5.340  -0.851
  680   1HB   ASP 116          1HB       ASP 116  13.853  -6.482  -3.625
  681   2HB   ASP 116          2HB       ASP 116  13.508  -4.775  -3.363
  682    H    SER 117           H        SER 117  11.751  -5.651   0.323
  683    HA   SER 117           HA       SER 117   9.584  -4.582  -1.195
  684   1HB   SER 117          1HB       SER 117   9.112  -6.955  -1.455
  685   2HB   SER 117          2HB       SER 117   9.309  -7.214   0.283
  686    HG   SER 117           HG       SER 117   7.303  -5.662  -0.988
  687    H    TYR 118           H        TYR 118   7.731  -3.982   0.447
  688    HA   TYR 118           HA       TYR 118   9.015  -3.144   2.961
  689   1HB   TYR 118          1HB       TYR 118   7.229  -1.270   1.438
  690   2HB   TYR 118          2HB       TYR 118   8.520  -0.900   2.581
  691    HD1  TYR 118           HD1      TYR 118   7.647  -1.318  -0.874
  692    HD2  TYR 118           HD2      TYR 118  10.916  -1.258   1.835
  693    HE1  TYR 118           HE1      TYR 118   9.198  -1.032  -2.763
  694    HE2  TYR 118           HE2      TYR 118  12.479  -0.966  -0.041
  695    HH   TYR 118           HH       TYR 118  12.588  -1.388  -2.421
  696    H    TRP 119           H        TRP 119   7.442  -2.612   4.591
  697    HA   TRP 119           HA       TRP 119   4.874  -3.959   4.189
  698   1HB   TRP 119          1HB       TRP 119   6.487  -3.243   6.629
  699   2HB   TRP 119          2HB       TRP 119   4.767  -3.602   6.762
  700    HD1  TRP 119           HD1      TRP 119   8.060  -5.248   6.798
  701    HE1  TRP 119           HE1      TRP 119   7.803  -7.806   6.679
  702    HE3  TRP 119           HE3      TRP 119   3.134  -5.503   5.452
  703    HZ2  TRP 119           HZ2      TRP 119   5.781  -9.682   6.085
  704    HZ3  TRP 119           HZ3      TRP 119   2.113  -7.721   5.131
  705    HH2  TRP 119           HH2      TRP 119   3.413  -9.764   5.441
  706    H    VAL 120           H        VAL 120   3.348  -2.659   3.515
  707    HA   VAL 120           HA       VAL 120   3.351   0.111   4.494
  708    HB   VAL 120           HB       VAL 120   2.358  -1.297   2.236
  709   1HG1  VAL 120          1HG1      VAL 120   1.010   0.670   1.641
  710   2HG1  VAL 120          2HG1      VAL 120   1.335   1.383   3.220
  711   3HG1  VAL 120          3HG1      VAL 120   0.377  -0.094   3.101
  712   1HG2  VAL 120          1HG2      VAL 120   3.848   1.264   2.710
  713   2HG2  VAL 120          2HG2      VAL 120   3.391   0.613   1.135
  714   3HG2  VAL 120          3HG2      VAL 120   4.522  -0.270   2.161
  715    H    PHE 121           H        PHE 121   2.043   0.648   6.041
  716    HA   PHE 121           HA       PHE 121  -0.127  -1.189   6.753
  717   1HB   PHE 121          1HB       PHE 121   1.422   0.813   8.397
  718   2HB   PHE 121          2HB       PHE 121   0.001  -0.037   8.993
  719    HD1  PHE 121           HD1      PHE 121   3.478  -0.414   7.888
  720    HD2  PHE 121           HD2      PHE 121   0.120  -2.322   9.666
  721    HE1  PHE 121           HE1      PHE 121   4.909  -2.299   8.558
  722    HE2  PHE 121           HE2      PHE 121   1.544  -4.210  10.343
  723    HZ   PHE 121           HZ       PHE 121   3.915  -4.209   9.822
  724    H    VAL 122           H        VAL 122  -2.147  -0.530   7.057
  725    HA   VAL 122           HA       VAL 122  -2.843   2.149   6.046
  726    HB   VAL 122           HB       VAL 122  -4.420  -0.233   6.413
  727   1HG1  VAL 122          1HG1      VAL 122  -6.024   0.956   5.013
  728   2HG1  VAL 122          2HG1      VAL 122  -4.972   2.372   4.998
  729   3HG1  VAL 122          3HG1      VAL 122  -5.716   1.843   6.507
  730   1HG2  VAL 122          1HG2      VAL 122  -3.104   0.930   3.977
  731   2HG2  VAL 122          2HG2      VAL 122  -4.270  -0.393   3.978
  732   3HG2  VAL 122          3HG2      VAL 122  -2.703  -0.597   4.763
  733    H    LYS 123           H        LYS 123  -2.959   3.486   7.772
  734    HA   LYS 123           HA       LYS 123  -4.580   2.618  10.072
  735   1HB   LYS 123          1HB       LYS 123  -2.319   3.193  10.721
  736   2HB   LYS 123          2HB       LYS 123  -2.429   4.733   9.883
  737   1HG   LYS 123          1HG       LYS 123  -2.638   5.067  12.255
  738   2HG   LYS 123          2HG       LYS 123  -4.169   5.446  11.464
  739   1HD   LYS 123          1HD       LYS 123  -4.994   3.191  12.081
  740   2HD   LYS 123          2HD       LYS 123  -3.485   2.912  12.952
  741   1HE   LYS 123          1HE       LYS 123  -5.171   3.589  14.524
  742   2HE   LYS 123          2HE       LYS 123  -3.988   4.888  14.361
  743   1HZ   LYS 123          1HZ       LYS 123  -6.728   4.761  13.239
  744   2HZ   LYS 123          2HZ       LYS 123  -5.582   5.885  12.704
  745   3HZ   LYS 123          3HZ       LYS 123  -6.090   5.907  14.316
  746    H    ARG 124           H        ARG 124  -6.615   3.240   9.686
  747    HA   ARG 124           HA       ARG 124  -7.302   5.620   8.257
  748   1HB   ARG 124          1HB       ARG 124  -8.650   3.432   8.530
  749   2HB   ARG 124          2HB       ARG 124  -9.131   4.074  10.091
  750   1HG   ARG 124          1HG       ARG 124  -9.591   5.552   7.515
  751   2HG   ARG 124          2HG       ARG 124 -10.746   4.402   8.184
  752   1HD   ARG 124          1HD       ARG 124 -10.772   5.772  10.276
  753   2HD   ARG 124          2HD       ARG 124  -9.778   6.964   9.439
  754    HE   ARG 124           HE       ARG 124 -12.241   6.243   8.088
  755   1HH1  ARG 124          1HH1      ARG 124 -10.636   8.456  10.282
  756   2HH1  ARG 124          2HH1      ARG 124 -11.837   9.695  10.114
  757   1HH2  ARG 124          1HH2      ARG 124 -13.827   7.903   7.853
  758   2HH2  ARG 124          2HH2      ARG 124 -13.648   9.383   8.753
  759    H    VAL 125           H        VAL 125  -6.925   7.578   9.095
  760    HA   VAL 125           HA       VAL 125  -7.301   7.949  11.994
  761    HB   VAL 125           HB       VAL 125  -5.826   9.585  10.147
  762   1HG1  VAL 125          1HG1      VAL 125  -6.010   9.452  13.154
  763   2HG1  VAL 125          2HG1      VAL 125  -6.668  10.728  12.132
  764   3HG1  VAL 125          3HG1      VAL 125  -4.923  10.492  12.233
  765   1HG2  VAL 125          1HG2      VAL 125  -4.883   7.444  12.039
  766   2HG2  VAL 125          2HG2      VAL 125  -3.857   8.567  11.146
  767   3HG2  VAL 125          3HG2      VAL 125  -4.822   7.375  10.277
  768    H2   HC4 169           H2       HC4 169  -6.960   4.334  -3.756
  769    H3   HC4 169           H3       HC4 169  -7.902   2.234  -5.641
  770    H2'  HC4 169           H2'      HC4 169  -8.182  -0.009  -4.491
  771    H3'  HC4 169           H3'      HC4 169  -8.466  -1.348  -2.443
  772    H5'  HC4 169           H5'      HC4 169  -7.144   1.969  -0.129
  773    H6'  HC4 169           H6'      HC4 169  -7.048   3.347  -2.161
  Start of MODEL   17
    1    H    LEU  26           H        LEU  26 -11.450  -7.544  11.133
    2    HA   LEU  26           HA       LEU  26  -9.325  -8.162  13.101
    3   1HB   LEU  26          1HB       LEU  26  -9.481  -8.409  10.259
    4   2HB   LEU  26          2HB       LEU  26  -8.366  -7.120  10.628
    5    HG   LEU  26           HG       LEU  26  -7.206  -9.171  10.339
    6   1HD1  LEU  26          1HD1      LEU  26  -7.243  -8.378  13.241
    7   2HD1  LEU  26          2HD1      LEU  26  -6.308  -7.598  11.965
    8   3HD1  LEU  26          3HD1      LEU  26  -5.951  -9.262  12.428
    9   1HD2  LEU  26          1HD2      LEU  26  -7.513 -11.083  11.827
   10   2HD2  LEU  26          2HD2      LEU  26  -8.977 -10.733  10.909
   11   3HD2  LEU  26          3HD2      LEU  26  -8.863 -10.256  12.603
   12    H    ALA  27           H        ALA  27  -7.576  -6.169  12.265
   13    HA   ALA  27           HA       ALA  27  -9.079  -3.745  13.003
   14   1HB   ALA  27          1HB       ALA  27  -7.301  -3.102  14.531
   15   2HB   ALA  27          2HB       ALA  27  -6.417  -4.581  14.151
   16   3HB   ALA  27          3HB       ALA  27  -7.971  -4.669  14.980
   17    H    PHE  28           H        PHE  28  -5.594  -3.977  12.672
   18    HA   PHE  28           HA       PHE  28  -5.679  -1.888  10.675
   19   1HB   PHE  28          1HB       PHE  28  -3.274  -1.741  10.980
   20   2HB   PHE  28          2HB       PHE  28  -4.056  -1.791  12.554
   21    HD1  PHE  28           HD1      PHE  28  -1.654  -3.320  10.377
   22    HD2  PHE  28           HD2      PHE  28  -4.048  -3.967  13.836
   23    HE1  PHE  28           HE1      PHE  28  -0.206  -5.199  11.023
   24    HE2  PHE  28           HE2      PHE  28  -2.606  -5.851  14.487
   25    HZ   PHE  28           HZ       PHE  28  -0.681  -6.470  13.081
   26    H    GLY  29           H        GLY  29  -4.793  -2.042   8.587
   27   1HA   GLY  29          1HA       GLY  29  -4.792  -4.803   7.576
   28   2HA   GLY  29          2HA       GLY  29  -5.147  -3.370   6.619
   29    H    ALA  30           H        ALA  30  -2.855  -5.654   7.328
   30    HA   ALA  30           HA       ALA  30  -0.609  -3.911   6.623
   31   1HB   ALA  30          1HB       ALA  30  -0.559  -6.718   7.727
   32   2HB   ALA  30          2HB       ALA  30  -0.394  -5.243   8.681
   33   3HB   ALA  30          3HB       ALA  30   0.831  -5.658   7.482
   34    H    ILE  31           H        ILE  31   0.320  -4.029   4.725
   35    HA   ILE  31           HA       ILE  31  -0.155  -6.376   3.011
   36    HB   ILE  31           HB       ILE  31   0.137  -3.609   2.250
   37   1HG1  ILE  31          1HG1      ILE  31  -2.318  -5.363   2.285
   38   2HG1  ILE  31          2HG1      ILE  31  -1.982  -4.078   3.442
   39   1HG2  ILE  31          1HG2      ILE  31  -0.481  -6.115   0.693
   40   2HG2  ILE  31          2HG2      ILE  31   0.981  -5.136   0.571
   41   3HG2  ILE  31          3HG2      ILE  31  -0.569  -4.473   0.054
   42   1HD1  ILE  31          1HD1      ILE  31  -2.010  -2.446   1.615
   43   2HD1  ILE  31          2HD1      ILE  31  -3.532  -3.326   1.746
   44   3HD1  ILE  31          3HD1      ILE  31  -2.379  -3.743   0.478
   45    H    GLN  32           H        GLN  32   1.650  -6.979   1.714
   46    HA   GLN  32           HA       GLN  32   4.159  -5.568   2.340
   47   1HB   GLN  32          1HB       GLN  32   4.084  -7.888   3.170
   48   2HB   GLN  32          2HB       GLN  32   3.759  -8.461   1.541
   49   1HG   GLN  32          1HG       GLN  32   5.949  -7.563   0.838
   50   2HG   GLN  32          2HG       GLN  32   6.265  -7.106   2.515
   51   1HE2  GLN  32          1HE2      GLN  32   8.031  -8.452   2.698
   52   2HE2  GLN  32          2HE2      GLN  32   7.893 -10.172   2.765
   53    H    LEU  33           H        LEU  33   5.073  -4.534   0.682
   54    HA   LEU  33           HA       LEU  33   4.479  -5.455  -2.022
   55   1HB   LEU  33          1HB       LEU  33   3.883  -3.365  -2.873
   56   2HB   LEU  33          2HB       LEU  33   2.958  -3.532  -1.401
   57    HG   LEU  33           HG       LEU  33   5.450  -1.854  -1.747
   58   1HD1  LEU  33          1HD1      LEU  33   3.542  -0.959  -2.944
   59   2HD1  LEU  33          2HD1      LEU  33   3.925   0.039  -1.542
   60   3HD1  LEU  33          3HD1      LEU  33   2.554  -1.069  -1.485
   61   1HD2  LEU  33          1HD2      LEU  33   5.359  -2.571   0.529
   62   2HD2  LEU  33          2HD2      LEU  33   3.632  -2.231   0.627
   63   3HD2  LEU  33          3HD2      LEU  33   4.784  -0.905   0.465
   64    H    ASP  34           H        ASP  34   6.009  -4.694  -3.656
   65    HA   ASP  34           HA       ASP  34   8.627  -4.250  -2.407
   66   1HB   ASP  34          1HB       ASP  34   9.644  -5.140  -4.438
   67   2HB   ASP  34          2HB       ASP  34   8.504  -6.282  -3.751
   68    H    GLY  35           H        GLY  35  10.218  -3.069  -3.890
   69   1HA   GLY  35          1HA       GLY  35   9.386  -0.396  -3.848
   70   2HA   GLY  35          2HA       GLY  35  10.883  -0.985  -4.539
   71    H    ASP  36           H        ASP  36   8.585  -2.594  -6.237
   72    HA   ASP  36           HA       ASP  36   8.468  -0.464  -8.261
   73   1HB   ASP  36          1HB       ASP  36   8.487  -3.458  -8.494
   74   2HB   ASP  36          2HB       ASP  36   7.836  -2.462  -9.792
   75    H    GLY  37           H        GLY  37   6.571  -2.367  -6.124
   76   1HA   GLY  37          1HA       GLY  37   4.393  -1.376  -5.616
   77   2HA   GLY  37          2HA       GLY  37   4.169  -1.159  -7.343
   78    H    ASN  38           H        ASN  38   5.621  -4.138  -6.495
   79    HA   ASN  38           HA       ASN  38   3.156  -5.524  -7.203
   80   1HB   ASN  38          1HB       ASN  38   5.991  -6.453  -6.768
   81   2HB   ASN  38          2HB       ASN  38   4.655  -7.595  -6.882
   82   1HD2  ASN  38          1HD2      ASN  38   4.799  -4.608  -8.693
   83   2HD2  ASN  38          2HD2      ASN  38   4.989  -5.342 -10.246
   84    H    ILE  39           H        ILE  39   1.895  -6.635  -5.841
   85    HA   ILE  39           HA       ILE  39   2.457  -6.382  -3.003
   86    HB   ILE  39           HB       ILE  39   0.226  -7.639  -4.303
   87   1HG1  ILE  39          1HG1      ILE  39   0.526  -5.359  -5.147
   88   2HG1  ILE  39          2HG1      ILE  39  -0.883  -5.489  -4.099
   89   1HG2  ILE  39          1HG2      ILE  39   0.666  -6.415  -1.580
   90   2HG2  ILE  39          2HG2      ILE  39   0.511  -8.137  -1.929
   91   3HG2  ILE  39          3HG2      ILE  39  -0.863  -7.057  -2.181
   92   1HD1  ILE  39          1HD1      ILE  39   1.799  -4.400  -3.270
   93   2HD1  ILE  39          2HD1      ILE  39   0.344  -4.471  -2.275
   94   3HD1  ILE  39          3HD1      ILE  39   0.386  -3.436  -3.704
   95    H    LEU  40           H        LEU  40   2.556  -8.148  -1.576
   96    HA   LEU  40           HA       LEU  40   3.069 -10.750  -2.862
   97   1HB   LEU  40          1HB       LEU  40   4.398  -9.529  -0.444
   98   2HB   LEU  40          2HB       LEU  40   4.606 -11.196  -0.932
   99    HG   LEU  40           HG       LEU  40   5.538 -10.307  -3.129
  100   1HD1  LEU  40          1HD1      LEU  40   5.697  -7.752  -1.543
  101   2HD1  LEU  40          2HD1      LEU  40   4.687  -8.029  -2.964
  102   3HD1  LEU  40          3HD1      LEU  40   6.447  -8.052  -3.111
  103   1HD2  LEU  40          1HD2      LEU  40   6.914 -11.271  -1.348
  104   2HD2  LEU  40          2HD2      LEU  40   7.048  -9.681  -0.598
  105   3HD2  LEU  40          3HD2      LEU  40   7.749  -9.966  -2.191
  106    H    GLN  41           H        GLN  41   2.629  -9.550   0.452
  107    HA   GLN  41           HA       GLN  41   0.673 -11.707   0.840
  108   1HB   GLN  41          1HB       GLN  41   2.794 -10.728   2.754
  109   2HB   GLN  41          2HB       GLN  41   1.550 -11.908   3.152
  110   1HG   GLN  41          1HG       GLN  41   2.444 -13.488   1.619
  111   2HG   GLN  41          2HG       GLN  41   3.534 -12.290   0.926
  112   1HE2  GLN  41          1HE2      GLN  41   2.992 -12.526   4.359
  113   2HE2  GLN  41          2HE2      GLN  41   4.552 -13.161   4.761
  114    H    TYR  42           H        TYR  42  -1.184 -11.198   1.691
  115    HA   TYR  42           HA       TYR  42  -1.578  -8.552   2.897
  116   1HB   TYR  42          1HB       TYR  42  -3.360 -10.470   1.483
  117   2HB   TYR  42          2HB       TYR  42  -4.071  -9.550   2.797
  118    HD1  TYR  42           HD1      TYR  42  -5.567  -8.220   1.607
  119    HD2  TYR  42           HD2      TYR  42  -1.478  -8.302   0.433
  120    HE1  TYR  42           HE1      TYR  42  -5.973  -6.331   0.093
  121    HE2  TYR  42           HE2      TYR  42  -1.881  -6.413  -1.091
  122    HH   TYR  42           HH       TYR  42  -4.774  -4.573  -1.010
  123    H    ASN  43           H        ASN  43  -2.293  -8.350   4.996
  124    HA   ASN  43           HA       ASN  43  -2.149 -10.683   6.694
  125   1HB   ASN  43          1HB       ASN  43  -1.444  -8.232   7.250
  126   2HB   ASN  43          2HB       ASN  43  -3.157  -7.993   7.571
  127   1HD2  ASN  43          1HD2      ASN  43  -4.094  -8.999   9.375
  128   2HD2  ASN  43          2HD2      ASN  43  -3.124  -9.700  10.644
  129    H    ALA  44           H        ALA  44  -4.315  -9.710   4.640
  130    HA   ALA  44           HA       ALA  44  -6.444 -10.312   4.145
  131   1HB   ALA  44          1HB       ALA  44  -7.649 -11.910   5.490
  132   2HB   ALA  44          2HB       ALA  44  -6.526 -11.677   6.828
  133   3HB   ALA  44          3HB       ALA  44  -5.966 -12.413   5.328
  134    H    ALA  45           H        ALA  45  -5.717  -8.657   7.066
  135    HA   ALA  45           HA       ALA  45  -8.293  -7.883   7.861
  136   1HB   ALA  45          1HB       ALA  45  -5.693  -6.435   8.286
  137   2HB   ALA  45          2HB       ALA  45  -6.323  -7.736   9.294
  138   3HB   ALA  45          3HB       ALA  45  -7.185  -6.200   9.200
  139    H    GLU  46           H        GLU  46  -6.362  -6.798   5.221
  140    HA   GLU  46           HA       GLU  46  -7.526  -4.205   4.958
  141   1HB   GLU  46          1HB       GLU  46  -5.359  -5.179   3.875
  142   2HB   GLU  46          2HB       GLU  46  -6.446  -5.802   2.646
  143   1HG   GLU  46          1HG       GLU  46  -6.516  -2.903   3.351
  144   2HG   GLU  46          2HG       GLU  46  -5.241  -3.524   2.307
  145    HE2  GLU  46           HE2      GLU  46  -8.275  -1.790   1.456
  146    H    GLY  47           H        GLY  47  -8.497  -7.423   4.225
  147   1HA   GLY  47          1HA       GLY  47 -10.668  -6.537   2.484
  148   2HA   GLY  47          2HA       GLY  47 -10.233  -8.203   2.834
  149    H    ASP  48           H        ASP  48 -10.312  -6.246   5.585
  150    HA   ASP  48           HA       ASP  48 -12.500  -7.649   6.737
  151   1HB   ASP  48          1HB       ASP  48 -10.639  -6.778   8.090
  152   2HB   ASP  48          2HB       ASP  48 -11.090  -5.131   7.663
  153    H    ILE  49           H        ILE  49 -12.091  -4.365   5.474
  154    HA   ILE  49           HA       ILE  49 -14.793  -3.641   6.058
  155    HB   ILE  49           HB       ILE  49 -14.253  -1.816   4.640
  156   1HG1  ILE  49          1HG1      ILE  49 -11.550  -3.104   4.817
  157   2HG1  ILE  49          2HG1      ILE  49 -12.436  -2.621   3.376
  158   1HG2  ILE  49          1HG2      ILE  49 -14.350  -1.761   7.055
  159   2HG2  ILE  49          2HG2      ILE  49 -12.974  -0.817   6.484
  160   3HG2  ILE  49          3HG2      ILE  49 -12.721  -2.431   7.152
  161   1HD1  ILE  49          1HD1      ILE  49 -10.631  -1.079   3.845
  162   2HD1  ILE  49          2HD1      ILE  49 -11.308  -0.754   5.440
  163   3HD1  ILE  49          3HD1      ILE  49 -12.196  -0.282   3.991
  164    H    THR  50           H        THR  50 -13.017  -4.434   3.066
  165    HA   THR  50           HA       THR  50 -15.609  -4.425   1.681
  166    HB   THR  50           HB       THR  50 -13.028  -4.383   0.454
  167    HG1  THR  50           HG1      THR  50 -13.422  -2.060   0.450
  168   1HG2  THR  50          1HG2      THR  50 -14.940  -4.940  -0.941
  169   2HG2  THR  50          2HG2      THR  50 -14.330  -3.331  -1.325
  170   3HG2  THR  50          3HG2      THR  50 -15.794  -3.512  -0.358
  171    H    GLY  51           H        GLY  51 -12.416  -6.008   1.365
  172   1HA   GLY  51          1HA       GLY  51 -12.683  -8.543   1.793
  173   2HA   GLY  51          2HA       GLY  51 -13.799  -8.426   0.439
  174    H    ARG  52           H        ARG  52 -10.870  -9.473   1.117
  175    HA   ARG  52           HA       ARG  52  -9.830  -8.880  -1.555
  176   1HB   ARG  52          1HB       ARG  52  -8.083  -8.793   0.914
  177   2HB   ARG  52          2HB       ARG  52  -7.589  -8.480  -0.740
  178   1HG   ARG  52          1HG       ARG  52  -9.497  -6.781   0.843
  179   2HG   ARG  52          2HG       ARG  52  -7.783  -6.443   0.606
  180   1HD   ARG  52          1HD       ARG  52  -8.152  -6.296  -1.809
  181   2HD   ARG  52          2HD       ARG  52  -9.870  -6.628  -1.565
  182    HE   ARG  52           HE       ARG  52  -8.549  -4.284  -0.356
  183   1HH1  ARG  52          1HH1      ARG  52 -11.096  -5.674  -2.333
  184   2HH1  ARG  52          2HH1      ARG  52 -11.994  -4.188  -2.435
  185   1HH2  ARG  52          1HH2      ARG  52  -9.759  -2.366  -0.432
  186   2HH2  ARG  52          2HH2      ARG  52 -11.255  -2.318  -1.317
  187    H    ASP  53           H        ASP  53  -8.322 -10.494  -2.303
  188    HA   ASP  53           HA       ASP  53  -8.649 -13.038  -0.877
  189   1HB   ASP  53          1HB       ASP  53  -8.102 -12.375  -3.752
  190   2HB   ASP  53          2HB       ASP  53  -7.746 -13.976  -3.107
  191    HA   PRO  54           HA       PRO  54  -4.427 -12.656   0.458
  192   1HB   PRO  54          1HB       PRO  54  -4.828 -15.489   1.196
  193   2HB   PRO  54          2HB       PRO  54  -4.359 -14.119   2.206
  194   1HG   PRO  54          1HG       PRO  54  -6.800 -15.202   2.375
  195   2HG   PRO  54          2HG       PRO  54  -6.546 -13.456   2.555
  196   1HD   PRO  54          1HD       PRO  54  -7.565 -14.991   0.196
  197   2HD   PRO  54          2HD       PRO  54  -8.105 -13.428   0.844
  198    H    LYS  55           H        LYS  55  -2.939 -12.680  -1.025
  199    HA   LYS  55           HA       LYS  55  -1.154 -13.513  -2.150
  200   1HB   LYS  55          1HB       LYS  55  -2.516 -16.185  -1.866
  201   2HB   LYS  55          2HB       LYS  55  -0.973 -15.952  -2.672
  202   1HG   LYS  55          1HG       LYS  55  -0.101 -14.996  -0.524
  203   2HG   LYS  55          2HG       LYS  55  -1.612 -15.504   0.233
  204   1HD   LYS  55          1HD       LYS  55  -1.147 -17.823  -0.492
  205   2HD   LYS  55          2HD       LYS  55   0.403 -17.283  -1.137
  206   1HE   LYS  55          1HE       LYS  55   0.747 -18.257   1.039
  207   2HE   LYS  55          2HE       LYS  55   1.035 -16.521   1.132
  208   1HZ   LYS  55          1HZ       LYS  55  -1.123 -16.216   2.107
  209   2HZ   LYS  55          2HZ       LYS  55  -0.285 -17.389   2.998
  210   3HZ   LYS  55          3HZ       LYS  55  -1.498 -17.857   1.912
  211    H    GLN  56           H        GLN  56  -4.182 -13.145  -3.167
  212    HA   GLN  56           HA       GLN  56  -3.678 -13.956  -5.922
  213   1HB   GLN  56          1HB       GLN  56  -6.039 -12.627  -4.584
  214   2HB   GLN  56          2HB       GLN  56  -5.953 -12.936  -6.315
  215   1HG   GLN  56          1HG       GLN  56  -5.693 -15.086  -4.231
  216   2HG   GLN  56          2HG       GLN  56  -7.220 -14.632  -4.983
  217   1HE2  GLN  56          1HE2      GLN  56  -7.638 -15.227  -7.071
  218   2HE2  GLN  56          2HE2      GLN  56  -6.635 -16.334  -7.958
  219    H    VAL  57           H        VAL  57  -2.756 -11.542  -3.974
  220    HA   VAL  57           HA       VAL  57  -2.846  -9.442  -6.006
  221    HB   VAL  57           HB       VAL  57  -1.752  -8.183  -4.298
  222   1HG1  VAL  57          1HG1      VAL  57  -4.095  -7.960  -4.988
  223   2HG1  VAL  57          2HG1      VAL  57  -3.924  -7.767  -3.243
  224   3HG1  VAL  57          3HG1      VAL  57  -4.543  -9.279  -3.906
  225   1HG2  VAL  57          1HG2      VAL  57  -2.091  -8.956  -2.030
  226   2HG2  VAL  57          2HG2      VAL  57  -1.037 -10.066  -2.907
  227   3HG2  VAL  57          3HG2      VAL  57  -2.724 -10.490  -2.622
  228    H    ILE  58           H        ILE  58  -0.988 -11.937  -5.669
  229    HA   ILE  58           HA       ILE  58   1.599 -10.675  -5.501
  230    HB   ILE  58           HB       ILE  58   0.895 -13.331  -6.348
  231   1HG1  ILE  58          1HG1      ILE  58   1.614 -12.205  -3.642
  232   2HG1  ILE  58          2HG1      ILE  58   0.049 -12.858  -4.112
  233   1HG2  ILE  58          1HG2      ILE  58   3.472 -12.075  -5.400
  234   2HG2  ILE  58          2HG2      ILE  58   3.119 -12.594  -7.049
  235   3HG2  ILE  58          3HG2      ILE  58   3.229 -13.786  -5.753
  236   1HD1  ILE  58          1HD1      ILE  58   2.625 -14.398  -3.938
  237   2HD1  ILE  58          2HD1      ILE  58   1.066 -15.056  -4.434
  238   3HD1  ILE  58          3HD1      ILE  58   1.288 -14.457  -2.789
  239    H    GLY  59           H        GLY  59   2.878 -10.080  -7.173
  240   1HA   GLY  59          1HA       GLY  59   3.413  -9.491  -9.328
  241   2HA   GLY  59          2HA       GLY  59   2.420 -10.834  -9.883
  242    H    LYS  60           H        LYS  60   1.010  -8.579  -7.752
  243    HA   LYS  60           HA       LYS  60  -0.487  -7.359  -9.966
  244   1HB   LYS  60          1HB       LYS  60  -1.228  -8.413  -7.345
  245   2HB   LYS  60          2HB       LYS  60  -1.793  -6.764  -7.589
  246   1HG   LYS  60          1HG       LYS  60  -2.842  -7.525  -9.731
  247   2HG   LYS  60          2HG       LYS  60  -2.403  -9.176  -9.279
  248   1HD   LYS  60          1HD       LYS  60  -3.688  -8.902  -7.185
  249   2HD   LYS  60          2HD       LYS  60  -4.193  -7.305  -7.736
  250   1HE   LYS  60          1HE       LYS  60  -4.770  -9.920  -9.117
  251   2HE   LYS  60          2HE       LYS  60  -5.913  -8.992  -8.151
  252   1HZ   LYS  60          1HZ       LYS  60  -4.688  -8.198 -10.734
  253   2HZ   LYS  60          2HZ       LYS  60  -5.584  -7.138  -9.765
  254   3HZ   LYS  60          3HZ       LYS  60  -6.326  -8.518 -10.425
  255    H    ASN  61           H        ASN  61  -0.345  -5.197 -10.241
  256    HA   ASN  61           HA       ASN  61   1.546  -3.797  -8.515
  257   1HB   ASN  61          1HB       ASN  61   1.679  -3.674 -11.037
  258   2HB   ASN  61          2HB       ASN  61   0.185  -2.740 -10.997
  259   1HD2  ASN  61          1HD2      ASN  61   3.573  -2.722 -10.504
  260   2HD2  ASN  61          2HD2      ASN  61   3.738  -1.041 -10.134
  261    H    PHE  62           H        PHE  62   0.611  -3.118  -6.694
  262    HA   PHE  62           HA       PHE  62  -2.027  -2.535  -6.195
  263   1HB   PHE  62          1HB       PHE  62  -0.223  -2.730  -4.490
  264   2HB   PHE  62          2HB       PHE  62   0.346  -1.132  -4.953
  265    HD1  PHE  62           HD1      PHE  62  -0.538   0.776  -3.943
  266    HD2  PHE  62           HD2      PHE  62  -2.604  -2.931  -3.586
  267    HE1  PHE  62           HE1      PHE  62  -2.071   1.789  -2.306
  268    HE2  PHE  62           HE2      PHE  62  -4.141  -1.920  -1.952
  269    HZ   PHE  62           HZ       PHE  62  -3.875   0.442  -1.311
  270    H    PHE  63           H        PHE  63   0.412  -0.408  -7.569
  271    HA   PHE  63           HA       PHE  63  -1.121   1.967  -7.130
  272   1HB   PHE  63          1HB       PHE  63   1.365   1.502  -8.781
  273   2HB   PHE  63          2HB       PHE  63   0.689   3.079  -8.380
  274    HD1  PHE  63           HD1      PHE  63   2.565   0.211  -7.151
  275    HD2  PHE  63           HD2      PHE  63   0.801   3.936  -6.095
  276    HE1  PHE  63           HE1      PHE  63   3.862   0.227  -5.059
  277    HE2  PHE  63           HE2      PHE  63   2.095   3.958  -4.003
  278    HZ   PHE  63           HZ       PHE  63   3.624   2.099  -3.481
  279    H    LYS  64           H        LYS  64  -1.031  -0.382  -9.624
  280    HA   LYS  64           HA       LYS  64  -2.378   1.475 -11.465
  281   1HB   LYS  64          1HB       LYS  64  -0.635  -0.908 -11.997
  282   2HB   LYS  64          2HB       LYS  64  -1.590  -0.132 -13.243
  283   1HG   LYS  64          1HG       LYS  64   0.555   1.204 -11.609
  284   2HG   LYS  64          2HG       LYS  64   0.756   0.588 -13.249
  285   1HD   LYS  64          1HD       LYS  64  -1.174   2.750 -12.411
  286   2HD   LYS  64          2HD       LYS  64   0.372   3.015 -13.216
  287   1HE   LYS  64          1HE       LYS  64  -1.978   1.491 -14.336
  288   2HE   LYS  64          2HE       LYS  64  -1.476   3.113 -14.807
  289   1HZ   LYS  64          1HZ       LYS  64  -0.703   1.453 -16.378
  290   2HZ   LYS  64          2HZ       LYS  64   0.133   0.642 -15.148
  291   3HZ   LYS  64          3HZ       LYS  64   0.610   2.201 -15.609
  292    H    ASP  65           H        ASP  65  -2.552  -1.604  -9.864
  293    HA   ASP  65           HA       ASP  65  -4.622  -2.594 -11.651
  294   1HB   ASP  65          1HB       ASP  65  -2.740  -4.035 -10.808
  295   2HB   ASP  65          2HB       ASP  65  -3.464  -3.940  -9.208
  296    H    VAL  66           H        VAL  66  -4.455  -2.796  -8.089
  297    HA   VAL  66           HA       VAL  66  -7.375  -2.624  -8.147
  298    HB   VAL  66           HB       VAL  66  -6.162  -4.452  -7.359
  299   1HG1  VAL  66          1HG1      VAL  66  -5.356  -4.368  -5.043
  300   2HG1  VAL  66          2HG1      VAL  66  -5.555  -2.617  -5.056
  301   3HG1  VAL  66          3HG1      VAL  66  -4.388  -3.380  -6.136
  302   1HG2  VAL  66          1HG2      VAL  66  -7.707  -4.800  -5.488
  303   2HG2  VAL  66          2HG2      VAL  66  -8.493  -4.171  -6.935
  304   3HG2  VAL  66          3HG2      VAL  66  -8.154  -3.096  -5.579
  305    H    ALA  67           H        ALA  67  -5.176  -0.444  -7.911
  306    HA   ALA  67           HA       ALA  67  -6.822   1.359  -6.436
  307   1HB   ALA  67          1HB       ALA  67  -5.295   1.943  -4.646
  308   2HB   ALA  67          2HB       ALA  67  -4.146   0.724  -5.198
  309   3HB   ALA  67          3HB       ALA  67  -5.710   0.229  -4.550
  310    HA   PRO  68           HA       PRO  68  -3.973   3.156  -9.677
  311   1HB   PRO  68          1HB       PRO  68  -5.944   4.368 -11.119
  312   2HB   PRO  68          2HB       PRO  68  -5.386   2.718 -11.418
  313   1HG   PRO  68          1HG       PRO  68  -7.794   3.665  -9.925
  314   2HG   PRO  68          2HG       PRO  68  -7.631   2.300 -11.046
  315   1HD   PRO  68          1HD       PRO  68  -7.662   1.992  -8.353
  316   2HD   PRO  68          2HD       PRO  68  -6.751   0.917  -9.431
  317    H    CYS  69           H        CYS  69  -5.614   4.253  -7.067
  318    HA   CYS  69           HA       CYS  69  -5.467   7.080  -7.624
  319   1HB   CYS  69          1HB       CYS  69  -5.735   5.647  -4.969
  320   2HB   CYS  69          2HB       CYS  69  -5.853   7.386  -5.196
  321    H    THR  70           H        THR  70  -3.209   4.651  -6.775
  322    HA   THR  70           HA       THR  70  -1.985   6.235  -4.660
  323    HB   THR  70           HB       THR  70  -0.556   4.349  -4.552
  324    HG1  THR  70           HG1      THR  70  -2.546   2.912  -5.889
  325   1HG2  THR  70          1HG2      THR  70  -2.388   4.793  -3.023
  326   2HG2  THR  70          2HG2      THR  70  -2.262   3.068  -3.375
  327   3HG2  THR  70          3HG2      THR  70  -3.520   4.036  -4.144
  328    H    ASP  71           H        ASP  71  -1.262   4.878  -7.846
  329    HA   ASP  71           HA       ASP  71   1.371   5.889  -8.062
  330   1HB   ASP  71          1HB       ASP  71   0.595   4.213  -9.631
  331   2HB   ASP  71          2HB       ASP  71  -0.687   5.280 -10.201
  332    H    SER  72           H        SER  72   1.727   7.964  -7.598
  333    HA   SER  72           HA       SER  72   0.289  10.019  -9.062
  334   1HB   SER  72          1HB       SER  72  -1.172   9.713  -7.155
  335   2HB   SER  72          2HB       SER  72   0.194   9.746  -6.045
  336    HG   SER  72           HG       SER  72  -1.277  11.776  -6.861
  337    HA   PRO  73           HA       PRO  73   4.216  12.086  -9.067
  338   1HB   PRO  73          1HB       PRO  73   2.589  14.492  -8.371
  339   2HB   PRO  73          2HB       PRO  73   3.794  14.280  -9.647
  340   1HG   PRO  73          1HG       PRO  73   1.196  14.279 -10.220
  341   2HG   PRO  73          2HG       PRO  73   2.310  13.171 -11.041
  342   1HD   PRO  73          1HD       PRO  73   0.325  12.618  -8.892
  343   2HD   PRO  73          2HD       PRO  73   0.846  11.589 -10.239
  344    H    GLU  74           H        GLU  74   1.928  12.582  -6.421
  345    HA   GLU  74           HA       GLU  74   4.124  13.378  -4.684
  346   1HB   GLU  74          1HB       GLU  74   2.419  13.823  -2.977
  347   2HB   GLU  74          2HB       GLU  74   2.109  14.697  -4.464
  348   1HG   GLU  74          1HG       GLU  74   0.348  13.154  -5.054
  349   2HG   GLU  74          2HG       GLU  74   0.716  12.159  -3.645
  350    H    PHE  75           H        PHE  75   1.553  10.851  -4.633
  351    HA   PHE  75           HA       PHE  75   2.599   9.732  -2.237
  352   1HB   PHE  75          1HB       PHE  75   0.222   9.548  -2.856
  353   2HB   PHE  75          2HB       PHE  75   0.661   8.507  -4.206
  354    HD1  PHE  75           HD1      PHE  75   0.872   6.200  -3.910
  355    HD2  PHE  75           HD2      PHE  75   0.797   8.757  -0.509
  356    HE1  PHE  75           HE1      PHE  75   0.728   4.232  -2.439
  357    HE2  PHE  75           HE2      PHE  75   0.653   6.794   0.968
  358    HZ   PHE  75           HZ       PHE  75   0.619   4.527   0.002
  359    H    TYR  76           H        TYR  76   2.594   8.553  -5.598
  360    HA   TYR  76           HA       TYR  76   4.142   6.251  -5.070
  361   1HB   TYR  76          1HB       TYR  76   2.742   6.665  -7.128
  362   2HB   TYR  76          2HB       TYR  76   3.995   7.767  -7.683
  363    HD1  TYR  76           HD1      TYR  76   5.735   6.939  -9.005
  364    HD2  TYR  76           HD2      TYR  76   3.509   4.248  -6.577
  365    HE1  TYR  76           HE1      TYR  76   6.919   5.041 -10.031
  366    HE2  TYR  76           HE2      TYR  76   4.682   2.346  -7.594
  367    HH   TYR  76           HH       TYR  76   5.895   1.807  -9.631
  368    H    GLY  77           H        GLY  77   4.918   9.573  -5.810
  369   1HA   GLY  77          1HA       GLY  77   7.673   9.267  -6.311
  370   2HA   GLY  77          2HA       GLY  77   6.890  10.739  -5.755
  371    H    LYS  78           H        LYS  78   5.845   9.425  -3.315
  372    HA   LYS  78           HA       LYS  78   8.234   9.847  -1.719
  373   1HB   LYS  78          1HB       LYS  78   5.504   9.034  -0.710
  374   2HB   LYS  78          2HB       LYS  78   6.814   9.752   0.218
  375   1HG   LYS  78          1HG       LYS  78   5.139  11.072  -1.900
  376   2HG   LYS  78          2HG       LYS  78   5.160  11.418  -0.173
  377   1HD   LYS  78          1HD       LYS  78   7.317  12.390  -0.297
  378   2HD   LYS  78          2HD       LYS  78   7.582  11.759  -1.926
  379   1HE   LYS  78          1HE       LYS  78   5.792  13.193  -2.774
  380   2HE   LYS  78          2HE       LYS  78   5.521  13.823  -1.151
  381   1HZ   LYS  78          1HZ       LYS  78   7.639  14.854  -1.158
  382   2HZ   LYS  78          2HZ       LYS  78   6.895  15.260  -2.627
  383   3HZ   LYS  78          3HZ       LYS  78   8.105  14.074  -2.591
  384    H    PHE  79           H        PHE  79   6.226   7.202  -2.746
  385    HA   PHE  79           HA       PHE  79   7.219   5.196  -1.020
  386   1HB   PHE  79          1HB       PHE  79   5.178   4.843  -2.253
  387   2HB   PHE  79          2HB       PHE  79   6.014   5.055  -3.788
  388    HD1  PHE  79           HD1      PHE  79   6.059   2.912  -0.753
  389    HD2  PHE  79           HD2      PHE  79   6.719   3.192  -4.945
  390    HE1  PHE  79           HE1      PHE  79   6.497   0.496  -0.843
  391    HE2  PHE  79           HE2      PHE  79   7.155   0.775  -5.042
  392    HZ   PHE  79           HZ       PHE  79   7.046  -0.567  -2.984
  393    H    LYS  80           H        LYS  80   8.418   6.634  -3.906
  394    HA   LYS  80           HA       LYS  80  10.321   4.536  -4.469
  395   1HB   LYS  80          1HB       LYS  80   9.989   7.259  -5.735
  396   2HB   LYS  80          2HB       LYS  80  11.058   5.995  -6.318
  397   1HG   LYS  80          1HG       LYS  80   8.055   5.811  -6.160
  398   2HG   LYS  80          2HG       LYS  80   8.991   6.132  -7.618
  399   1HD   LYS  80          1HD       LYS  80   9.151   3.621  -5.944
  400   2HD   LYS  80          2HD       LYS  80   8.277   3.785  -7.468
  401   1HE   LYS  80          1HE       LYS  80  10.453   4.410  -8.543
  402   2HE   LYS  80          2HE       LYS  80  11.253   3.995  -7.029
  403   1HZ   LYS  80          1HZ       LYS  80  11.397   2.111  -8.420
  404   2HZ   LYS  80          2HZ       LYS  80   9.767   2.192  -8.854
  405   3HZ   LYS  80          3HZ       LYS  80  10.199   1.736  -7.280
  406    H    GLU  81           H        GLU  81  10.242   7.136  -2.370
  407    HA   GLU  81           HA       GLU  81  12.814   8.213  -2.518
  408   1HB   GLU  81          1HB       GLU  81  10.841   7.927  -0.277
  409   2HB   GLU  81          2HB       GLU  81  12.433   8.614   0.013
  410   1HG   GLU  81          1HG       GLU  81  10.446   9.654  -1.993
  411   2HG   GLU  81          2HG       GLU  81  10.704  10.313  -0.377
  412    H    GLY  82           H        GLY  82  11.671   5.262  -1.010
  413   1HA   GLY  82          1HA       GLY  82  14.243   4.804   0.262
  414   2HA   GLY  82          2HA       GLY  82  12.832   3.760   0.357
  415    H    VAL  83           H        VAL  83  12.367   3.569  -2.415
  416    HA   VAL  83           HA       VAL  83  13.830   1.328  -3.115
  417    HB   VAL  83           HB       VAL  83  12.749   3.256  -4.947
  418   1HG1  VAL  83          1HG1      VAL  83  13.176   0.271  -5.014
  419   2HG1  VAL  83          2HG1      VAL  83  14.017   1.481  -5.986
  420   3HG1  VAL  83          3HG1      VAL  83  12.293   1.193  -6.229
  421   1HG2  VAL  83          1HG2      VAL  83  11.126   2.880  -3.202
  422   2HG2  VAL  83          2HG2      VAL  83  11.353   1.135  -3.338
  423   3HG2  VAL  83          3HG2      VAL  83  10.648   2.041  -4.678
  424    H    ALA  84           H        ALA  84  14.322   4.696  -4.122
  425    HA   ALA  84           HA       ALA  84  16.422   4.263  -5.924
  426   1HB   ALA  84          1HB       ALA  84  15.886   6.698  -4.228
  427   2HB   ALA  84          2HB       ALA  84  15.184   6.359  -5.810
  428   3HB   ALA  84          3HB       ALA  84  16.918   6.642  -5.656
  429    H    SER  85           H        SER  85  16.405   4.274  -2.466
  430    HA   SER  85           HA       SER  85  19.340   4.314  -2.395
  431   1HB   SER  85          1HB       SER  85  17.358   4.564  -0.116
  432   2HB   SER  85          2HB       SER  85  19.108   4.736   0.013
  433    HG   SER  85           HG       SER  85  18.865   6.508  -1.535
  434    H    GLY  86           H        GLY  86  17.020   2.808  -0.216
  435   1HA   GLY  86          1HA       GLY  86  17.549   0.132  -0.974
  436   2HA   GLY  86          2HA       GLY  86  18.509   0.572   0.436
  437    H    ASN  87           H        ASN  87  16.851   2.234   1.759
  438    HA   ASN  87           HA       ASN  87  14.589   0.505   2.503
  439   1HB   ASN  87          1HB       ASN  87  15.085   1.346   4.875
  440   2HB   ASN  87          2HB       ASN  87  16.190   0.152   4.200
  441   1HD2  ASN  87          1HD2      ASN  87  15.772   3.561   4.940
  442   2HD2  ASN  87          2HD2      ASN  87  17.455   3.954   4.950
  443    H    LEU  88           H        LEU  88  12.747   1.530   3.312
  444    HA   LEU  88           HA       LEU  88  12.718   4.428   3.517
  445   1HB   LEU  88          1HB       LEU  88  11.965   3.928   1.228
  446   2HB   LEU  88          2HB       LEU  88  10.746   2.843   1.868
  447    HG   LEU  88           HG       LEU  88   9.695   4.790   3.027
  448   1HD1  LEU  88          1HD1      LEU  88  11.649   6.234   3.143
  449   2HD1  LEU  88          2HD1      LEU  88  10.316   7.041   2.316
  450   3HD1  LEU  88          3HD1      LEU  88  11.661   6.379   1.386
  451   1HD2  LEU  88          1HD2      LEU  88   8.811   3.985   0.922
  452   2HD2  LEU  88          2HD2      LEU  88   9.970   4.970   0.030
  453   3HD2  LEU  88          3HD2      LEU  88   8.707   5.744   0.988
  454    H    ASN  89           H        ASN  89  12.014   4.771   5.523
  455    HA   ASN  89           HA       ASN  89   9.679   3.212   6.420
  456   1HB   ASN  89          1HB       ASN  89  11.848   4.253   8.252
  457   2HB   ASN  89          2HB       ASN  89  10.445   3.294   8.696
  458   1HD2  ASN  89          1HD2      ASN  89  13.278   2.814   9.137
  459   2HD2  ASN  89          2HD2      ASN  89  13.627   1.272   8.406
  460    H    THR  90           H        THR  90   8.262   4.710   5.745
  461    HA   THR  90           HA       THR  90   8.363   7.294   7.138
  462    HB   THR  90           HB       THR  90   7.075   8.069   5.298
  463    HG1  THR  90           HG1      THR  90   7.585   6.850   3.345
  464   1HG2  THR  90          1HG2      THR  90   9.379   8.712   5.747
  465   2HG2  THR  90          2HG2      THR  90   9.094   8.529   4.016
  466   3HG2  THR  90          3HG2      THR  90   9.951   7.271   4.907
  467    H    MET  91           H        MET  91   6.268   8.315   7.336
  468    HA   MET  91           HA       MET  91   3.944   6.529   7.170
  469   1HB   MET  91          1HB       MET  91   4.759   6.575   9.531
  470   2HB   MET  91          2HB       MET  91   4.552   8.321   9.543
  471   1HG   MET  91          1HG       MET  91   2.167   8.068   9.195
  472   2HG   MET  91          2HG       MET  91   2.350   6.318   9.108
  473   1HE   MET  91          1HE       MET  91   2.588   9.496  11.415
  474   2HE   MET  91          2HE       MET  91   4.208   8.808  11.527
  475   3HE   MET  91          3HE       MET  91   3.140   8.783  12.931
  476    H    PHE  92           H        PHE  92   2.589   7.516   5.804
  477    HA   PHE  92           HA       PHE  92   2.649  10.464   5.633
  478   1HB   PHE  92          1HB       PHE  92   3.821   9.211   3.762
  479   2HB   PHE  92          2HB       PHE  92   2.255   8.548   3.327
  480    HD1  PHE  92           HD1      PHE  92   1.075   9.583   1.660
  481    HD2  PHE  92           HD2      PHE  92   3.856  11.865   3.934
  482    HE1  PHE  92           HE1      PHE  92   0.648  11.531   0.220
  483    HE2  PHE  92           HE2      PHE  92   3.432  13.816   2.498
  484    HZ   PHE  92           HZ       PHE  92   1.829  13.653   0.640
  485    H    GLU  93           H        GLU  93   0.641  11.392   4.680
  486    HA   GLU  93           HA       GLU  93  -1.711   9.707   5.238
  487   1HB   GLU  93          1HB       GLU  93  -1.454  11.626   6.798
  488   2HB   GLU  93          2HB       GLU  93  -1.508  12.724   5.426
  489   1HG   GLU  93          1HG       GLU  93  -3.779  11.989   4.915
  490   2HG   GLU  93          2HG       GLU  93  -3.725  10.868   6.274
  491    H    TYR  94           H        TYR  94  -2.995   9.303   3.529
  492    HA   TYR  94           HA       TYR  94  -2.864  11.102   1.217
  493   1HB   TYR  94          1HB       TYR  94  -1.230   9.168   0.957
  494   2HB   TYR  94          2HB       TYR  94  -2.630   8.102   0.916
  495    HD1  TYR  94           HD1      TYR  94  -3.094   7.360  -1.223
  496    HD2  TYR  94           HD2      TYR  94  -1.760  11.369  -0.699
  497    HE1  TYR  94           HE1      TYR  94  -3.299   7.741  -3.646
  498    HE2  TYR  94           HE2      TYR  94  -1.958  11.759  -3.117
  499    HH   TYR  94           HH       TYR  94  -3.410   9.383  -5.252
  500    H    THR  95           H        THR  95  -4.633  10.732  -0.313
  501    HA   THR  95           HA       THR  95  -7.029   9.861   1.137
  502    HB   THR  95           HB       THR  95  -6.859  11.400  -1.278
  503    HG1  THR  95           HG1      THR  95  -5.666  12.482   0.305
  504   1HG2  THR  95          1HG2      THR  95  -9.038  10.446  -0.741
  505   2HG2  THR  95          2HG2      THR  95  -9.029  12.193  -0.502
  506   3HG2  THR  95          3HG2      THR  95  -8.932  11.112   0.889
  507    H    PHE  96           H        PHE  96  -8.452   8.410   0.279
  508    HA   PHE  96           HA       PHE  96  -7.648   7.070  -2.211
  509   1HB   PHE  96          1HB       PHE  96  -9.202   6.092   0.181
  510   2HB   PHE  96          2HB       PHE  96  -9.195   5.228  -1.353
  511    HD1  PHE  96           HD1      PHE  96  -6.339   5.694  -2.130
  512    HD2  PHE  96           HD2      PHE  96  -8.102   4.569   1.575
  513    HE1  PHE  96           HE1      PHE  96  -4.262   4.539  -1.500
  514    HE2  PHE  96           HE2      PHE  96  -6.026   3.411   2.213
  515    HZ   PHE  96           HZ       PHE  96  -4.104   3.393   0.676
  516    H    ASP  97           H        ASP  97  -8.985   7.022  -3.890
  517    HA   ASP  97           HA       ASP  97 -11.712   8.035  -3.650
  518   1HB   ASP  97          1HB       ASP  97 -10.059   9.940  -4.024
  519   2HB   ASP  97          2HB       ASP  97  -9.717   9.228  -5.598
  520    H    TYR  98           H        TYR  98 -11.780   8.339  -6.631
  521    HA   TYR  98           HA       TYR  98 -12.137   7.124  -8.508
  522   1HB   TYR  98          1HB       TYR  98  -9.800   6.496  -8.405
  523   2HB   TYR  98          2HB       TYR  98 -10.152   5.226  -7.240
  524    HD1  TYR  98           HD1      TYR  98 -10.309   3.060  -8.020
  525    HD2  TYR  98           HD2      TYR  98 -11.138   6.271 -10.690
  526    HE1  TYR  98           HE1      TYR  98 -10.588   1.453  -9.861
  527    HE2  TYR  98           HE2      TYR  98 -11.417   4.671 -12.534
  528    HH   TYR  98           HH       TYR  98 -11.741   1.350 -12.062
  529    H    GLN  99           H        GLN  99 -11.669   4.290  -6.444
  530    HA   GLN  99           HA       GLN  99 -14.457   3.555  -6.969
  531   1HB   GLN  99          1HB       GLN  99 -13.782   1.284  -6.239
  532   2HB   GLN  99          2HB       GLN  99 -12.874   1.858  -7.627
  533   1HG   GLN  99          1HG       GLN  99 -10.993   2.408  -6.172
  534   2HG   GLN  99          2HG       GLN  99 -11.907   1.833  -4.777
  535   1HE2  GLN  99          1HE2      GLN  99  -9.364   0.940  -5.936
  536   2HE2  GLN  99          2HE2      GLN  99  -9.559  -0.746  -6.234
  537    H    MET 100           H        MET 100 -12.226   4.428  -4.503
  538    HA   MET 100           HA       MET 100 -14.155   3.942  -2.369
  539   1HB   MET 100          1HB       MET 100 -11.737   3.529  -1.950
  540   2HB   MET 100          2HB       MET 100 -11.417   5.231  -2.268
  541   1HG   MET 100          1HG       MET 100 -11.466   4.750   0.117
  542   2HG   MET 100          2HG       MET 100 -12.739   5.877  -0.351
  543   1HE   MET 100          1HE       MET 100 -11.874   2.244   0.808
  544   2HE   MET 100          2HE       MET 100 -12.599   1.943  -0.770
  545   3HE   MET 100          3HE       MET 100 -13.436   1.433   0.697
  546    H    THR 101           H        THR 101 -15.353   5.569  -1.418
  547    HA   THR 101           HA       THR 101 -15.427   8.117  -2.698
  548    HB   THR 101           HB       THR 101 -16.575   8.628  -0.565
  549    HG1  THR 101           HG1      THR 101 -16.409   6.883   0.679
  550   1HG2  THR 101          1HG2      THR 101 -17.597   6.784  -2.712
  551   2HG2  THR 101          2HG2      THR 101 -17.546   8.545  -2.794
  552   3HG2  THR 101          3HG2      THR 101 -18.590   7.748  -1.618
  553    HA   PRO 102           HA       PRO 102 -12.029  10.287  -1.199
  554   1HB   PRO 102          1HB       PRO 102 -13.984  12.245  -0.076
  555   2HB   PRO 102          2HB       PRO 102 -12.540  12.531  -1.053
  556   1HG   PRO 102          1HG       PRO 102 -15.003  12.578  -2.121
  557   2HG   PRO 102          2HG       PRO 102 -13.597  11.989  -3.022
  558   1HD   PRO 102          1HD       PRO 102 -15.876  10.488  -1.910
  559   2HD   PRO 102          2HD       PRO 102 -14.747  10.039  -3.201
  560    H    THR 103           H        THR 103 -11.476   8.715   0.398
  561    HA   THR 103           HA       THR 103 -11.927   9.761   3.134
  562    HB   THR 103           HB       THR 103 -11.222   7.067   2.429
  563    HG1  THR 103           HG1      THR 103 -13.292   7.684   1.559
  564   1HG2  THR 103          1HG2      THR 103 -12.335   8.365   4.910
  565   2HG2  THR 103          2HG2      THR 103 -10.681   7.791   4.697
  566   3HG2  THR 103          3HG2      THR 103 -12.020   6.643   4.690
  567    H    LYS 104           H        LYS 104 -10.095   9.899   4.484
  568    HA   LYS 104           HA       LYS 104  -7.552   9.620   3.038
  569   1HB   LYS 104          1HB       LYS 104  -6.609  11.249   4.537
  570   2HB   LYS 104          2HB       LYS 104  -8.128  11.890   3.925
  571   1HG   LYS 104          1HG       LYS 104  -9.240  11.414   5.987
  572   2HG   LYS 104          2HG       LYS 104  -7.840  10.534   6.597
  573   1HD   LYS 104          1HD       LYS 104  -7.777  12.653   7.633
  574   2HD   LYS 104          2HD       LYS 104  -6.549  12.695   6.368
  575   1HE   LYS 104          1HE       LYS 104  -7.743  14.756   6.294
  576   2HE   LYS 104          2HE       LYS 104  -8.219  13.806   4.886
  577   1HZ   LYS 104          1HZ       LYS 104  -9.776  14.028   7.410
  578   2HZ   LYS 104          2HZ       LYS 104 -10.248  13.180   6.016
  579   3HZ   LYS 104          3HZ       LYS 104 -10.111  14.871   5.974
  580    H    VAL 105           H        VAL 105  -5.876   8.469   3.883
  581    HA   VAL 105           HA       VAL 105  -6.345   7.104   6.447
  582    HB   VAL 105           HB       VAL 105  -5.161   5.302   5.639
  583   1HG1  VAL 105          1HG1      VAL 105  -7.673   6.011   4.126
  584   2HG1  VAL 105          2HG1      VAL 105  -7.606   5.326   5.750
  585   3HG1  VAL 105          3HG1      VAL 105  -7.033   4.385   4.372
  586   1HG2  VAL 105          1HG2      VAL 105  -3.937   6.328   3.833
  587   2HG2  VAL 105          2HG2      VAL 105  -5.442   6.669   2.977
  588   3HG2  VAL 105          3HG2      VAL 105  -4.928   5.001   3.228
  589    H    LYS 106           H        LYS 106  -4.351   6.299   7.442
  590    HA   LYS 106           HA       LYS 106  -2.029   7.960   6.733
  591   1HB   LYS 106          1HB       LYS 106  -3.034   8.148   9.063
  592   2HB   LYS 106          2HB       LYS 106  -2.504   6.495   9.333
  593   1HG   LYS 106          1HG       LYS 106  -0.193   7.150   9.011
  594   2HG   LYS 106          2HG       LYS 106  -0.694   8.803   8.650
  595   1HD   LYS 106          1HD       LYS 106   0.053   8.703  10.935
  596   2HD   LYS 106          2HD       LYS 106  -1.696   8.937  10.920
  597   1HE   LYS 106          1HE       LYS 106  -1.966   6.490  11.240
  598   2HE   LYS 106          2HE       LYS 106  -0.216   6.355  11.405
  599   1HZ   LYS 106          1HZ       LYS 106  -0.458   8.033  13.265
  600   2HZ   LYS 106          2HZ       LYS 106  -1.038   6.473  13.575
  601   3HZ   LYS 106          3HZ       LYS 106  -2.125   7.724  13.208
  602    H    VAL 107           H        VAL 107  -0.394   6.906   5.763
  603    HA   VAL 107           HA       VAL 107  -0.589   3.990   5.765
  604    HB   VAL 107           HB       VAL 107  -0.968   5.014   3.781
  605   1HG1  VAL 107          1HG1      VAL 107   0.339   7.034   3.994
  606   2HG1  VAL 107          2HG1      VAL 107   0.859   6.127   2.574
  607   3HG1  VAL 107          3HG1      VAL 107   1.829   6.092   4.045
  608   1HG2  VAL 107          1HG2      VAL 107  -0.043   2.809   3.808
  609   2HG2  VAL 107          2HG2      VAL 107   1.590   3.458   3.948
  610   3HG2  VAL 107          3HG2      VAL 107   0.656   3.731   2.477
  611    H    HIS 108           H        HIS 108   1.074   2.801   6.371
  612    HA   HIS 108           HA       HIS 108   3.443   4.256   7.352
  613   1HB   HIS 108          1HB       HIS 108   1.781   2.940   8.915
  614   2HB   HIS 108          2HB       HIS 108   2.621   1.520   8.307
  615    HD1  HIS 108           HD1      HIS 108   3.028   1.573  11.100
  616    HD2  HIS 108           HD2      HIS 108   5.258   4.135   8.689
  617    HE1  HIS 108           HE1      HIS 108   5.035   2.222  12.469
  618    HE2  HIS 108           HE2      HIS 108   6.261   3.921  11.069
  619    H    MET 109           H        MET 109   5.052   4.022   5.979
  620    HA   MET 109           HA       MET 109   5.309   1.543   4.408
  621   1HB   MET 109          1HB       MET 109   5.220   3.855   3.311
  622   2HB   MET 109          2HB       MET 109   6.804   4.115   4.005
  623   1HG   MET 109          1HG       MET 109   6.976   3.464   1.670
  624   2HG   MET 109          2HG       MET 109   7.700   2.244   2.727
  625   1HE   MET 109          1HE       MET 109   4.647   3.168   0.430
  626   2HE   MET 109          2HE       MET 109   3.903   2.963   2.015
  627   3HE   MET 109          3HE       MET 109   3.562   1.809   0.726
  628    H    LYS 110           H        LYS 110   6.903   0.099   4.919
  629    HA   LYS 110           HA       LYS 110   9.212   1.048   6.464
  630   1HB   LYS 110          1HB       LYS 110   7.433  -1.229   7.374
  631   2HB   LYS 110          2HB       LYS 110   8.953  -0.760   8.122
  632   1HG   LYS 110          1HG       LYS 110   7.969   1.431   8.674
  633   2HG   LYS 110          2HG       LYS 110   6.437   0.884   7.995
  634   1HD   LYS 110          1HD       LYS 110   6.189   0.529  10.283
  635   2HD   LYS 110          2HD       LYS 110   6.620  -1.062   9.659
  636   1HE   LYS 110          1HE       LYS 110   8.635   0.858  10.805
  637   2HE   LYS 110          2HE       LYS 110   7.786  -0.333  11.784
  638   1HZ   LYS 110          1HZ       LYS 110   9.575  -0.919   9.481
  639   2HZ   LYS 110          2HZ       LYS 110   8.735  -2.082  10.387
  640   3HZ   LYS 110          3HZ       LYS 110   9.945  -1.147  11.118
  641    H    LYS 111           H        LYS 111  11.067  -0.064   6.005
  642    HA   LYS 111           HA       LYS 111  10.871  -1.983   3.824
  643   1HB   LYS 111          1HB       LYS 111  12.618   0.021   4.299
  644   2HB   LYS 111          2HB       LYS 111  13.511  -1.314   4.999
  645   1HG   LYS 111          1HG       LYS 111  12.395  -1.450   2.222
  646   2HG   LYS 111          2HG       LYS 111  13.963  -0.741   2.569
  647   1HD   LYS 111          1HD       LYS 111  14.779  -2.808   3.454
  648   2HD   LYS 111          2HD       LYS 111  13.176  -3.539   3.339
  649   1HE   LYS 111          1HE       LYS 111  13.243  -3.391   0.926
  650   2HE   LYS 111          2HE       LYS 111  14.785  -2.539   0.989
  651   1HZ   LYS 111          1HZ       LYS 111  15.865  -4.468   1.791
  652   2HZ   LYS 111          2HZ       LYS 111  14.931  -4.966   0.462
  653   3HZ   LYS 111          3HZ       LYS 111  14.401  -5.284   2.040
  654    H    ALA 112           H        ALA 112  11.675  -4.047   3.860
  655    HA   ALA 112           HA       ALA 112  12.739  -5.136   6.345
  656   1HB   ALA 112          1HB       ALA 112  11.158  -7.010   6.344
  657   2HB   ALA 112          2HB       ALA 112  10.294  -6.279   4.990
  658   3HB   ALA 112          3HB       ALA 112  10.330  -5.467   6.555
  659    H    LEU 113           H        LEU 113  13.686  -7.283   6.018
  660    HA   LEU 113           HA       LEU 113  14.557  -7.609   3.228
  661   1HB   LEU 113          1HB       LEU 113  15.763  -8.707   5.765
  662   2HB   LEU 113          2HB       LEU 113  16.365  -8.984   4.144
  663    HG   LEU 113           HG       LEU 113  16.219  -6.281   5.478
  664   1HD1  LEU 113          1HD1      LEU 113  18.642  -6.444   5.646
  665   2HD1  LEU 113          2HD1      LEU 113  18.592  -8.075   4.975
  666   3HD1  LEU 113          3HD1      LEU 113  17.862  -7.745   6.547
  667   1HD2  LEU 113          1HD2      LEU 113  17.523  -5.514   3.594
  668   2HD2  LEU 113          2HD2      LEU 113  16.024  -6.248   3.022
  669   3HD2  LEU 113          3HD2      LEU 113  17.543  -7.138   2.909
  670    H    SER 114           H        SER 114  12.326  -8.806   5.310
  671    HA   SER 114           HA       SER 114  12.316 -11.559   4.754
  672   1HB   SER 114          1HB       SER 114   9.916  -9.742   5.133
  673   2HB   SER 114          2HB       SER 114   9.975 -11.485   5.409
  674    HG   SER 114           HG       SER 114  11.905 -10.609   6.866
  675    H    GLY 115           H        GLY 115  12.369 -12.412   2.763
  676   1HA   GLY 115          1HA       GLY 115  12.191 -12.555   0.469
  677   2HA   GLY 115          2HA       GLY 115  10.826 -11.441   0.561
  678    H    ASP 116           H        ASP 116  11.121  -9.438  -0.131
  679    HA   ASP 116           HA       ASP 116  13.234  -7.823   0.666
  680   1HB   ASP 116          1HB       ASP 116  14.557  -9.015  -1.066
  681   2HB   ASP 116          2HB       ASP 116  13.392  -8.492  -2.283
  682    H    SER 117           H        SER 117  11.479  -6.614   1.247
  683    HA   SER 117           HA       SER 117  10.295  -4.946  -0.708
  684   1HB   SER 117          1HB       SER 117   7.904  -5.865  -0.106
  685   2HB   SER 117          2HB       SER 117   8.854  -6.655  -1.368
  686    HG   SER 117           HG       SER 117   9.558  -7.735   0.938
  687    H    TYR 118           H        TYR 118   8.036  -4.082   0.503
  688    HA   TYR 118           HA       TYR 118   9.017  -3.096   3.085
  689   1HB   TYR 118          1HB       TYR 118   7.028  -1.826   1.181
  690   2HB   TYR 118          2HB       TYR 118   7.647  -1.117   2.668
  691    HD1  TYR 118           HD1      TYR 118   8.266  -1.754  -0.836
  692    HD2  TYR 118           HD2      TYR 118   9.986  -0.342   2.785
  693    HE1  TYR 118           HE1      TYR 118  10.079  -0.706  -2.122
  694    HE2  TYR 118           HE2      TYR 118  11.809   0.720   1.509
  695    HH   TYR 118           HH       TYR 118  11.678   1.234  -1.780
  696    H    TRP 119           H        TRP 119   7.482  -2.888   4.747
  697    HA   TRP 119           HA       TRP 119   4.990  -4.373   4.338
  698   1HB   TRP 119          1HB       TRP 119   6.548  -3.646   6.811
  699   2HB   TRP 119          2HB       TRP 119   4.851  -4.109   6.904
  700    HD1  TRP 119           HD1      TRP 119   8.305  -5.554   6.529
  701    HE1  TRP 119           HE1      TRP 119   8.158  -8.121   6.488
  702    HE3  TRP 119           HE3      TRP 119   3.248  -6.060   6.056
  703    HZ2  TRP 119           HZ2      TRP 119   6.159 -10.102   6.265
  704    HZ3  TRP 119           HZ3      TRP 119   2.295  -8.323   5.931
  705    HH2  TRP 119           HH2      TRP 119   3.721 -10.304   6.032
  706    H    VAL 120           H        VAL 120   3.484  -3.050   3.597
  707    HA   VAL 120           HA       VAL 120   3.411  -0.333   4.690
  708    HB   VAL 120           HB       VAL 120   3.480  -0.585   2.437
  709   1HG1  VAL 120          1HG1      VAL 120   0.831  -1.983   2.730
  710   2HG1  VAL 120          2HG1      VAL 120   2.335  -2.704   2.159
  711   3HG1  VAL 120          3HG1      VAL 120   1.549  -1.443   1.212
  712   1HG2  VAL 120          1HG2      VAL 120   0.918   0.512   3.553
  713   2HG2  VAL 120          2HG2      VAL 120   1.558   0.858   1.946
  714   3HG2  VAL 120          3HG2      VAL 120   2.454   1.361   3.379
  715    H    PHE 121           H        PHE 121   1.849   0.369   5.952
  716    HA   PHE 121           HA       PHE 121  -0.316  -1.511   6.621
  717   1HB   PHE 121          1HB       PHE 121   0.987   0.564   8.401
  718   2HB   PHE 121          2HB       PHE 121  -0.292  -0.547   8.879
  719    HD1  PHE 121           HD1      PHE 121   3.264  -0.138   8.267
  720    HD2  PHE 121           HD2      PHE 121   0.181  -2.942   9.133
  721    HE1  PHE 121           HE1      PHE 121   4.958  -1.790   8.933
  722    HE2  PHE 121           HE2      PHE 121   1.874  -4.596   9.809
  723    HZ   PHE 121           HZ       PHE 121   4.265  -4.016   9.720
  724    H    VAL 122           H        VAL 122  -2.338  -0.821   6.317
  725    HA   VAL 122           HA       VAL 122  -2.723   2.026   5.677
  726    HB   VAL 122           HB       VAL 122  -4.475  -0.221   5.276
  727   1HG1  VAL 122          1HG1      VAL 122  -4.449   2.610   4.231
  728   2HG1  VAL 122          2HG1      VAL 122  -5.587   1.953   5.406
  729   3HG1  VAL 122          3HG1      VAL 122  -5.579   1.343   3.752
  730   1HG2  VAL 122          1HG2      VAL 122  -2.410  -0.523   4.034
  731   2HG2  VAL 122          2HG2      VAL 122  -2.544   1.116   3.397
  732   3HG2  VAL 122          3HG2      VAL 122  -3.743  -0.099   2.960
  733    H    LYS 123           H        LYS 123  -3.143   3.042   7.538
  734    HA   LYS 123           HA       LYS 123  -5.225   1.914   9.296
  735   1HB   LYS 123          1HB       LYS 123  -3.012   2.233  10.371
  736   2HB   LYS 123          2HB       LYS 123  -3.077   3.943   9.966
  737   1HG   LYS 123          1HG       LYS 123  -3.694   3.727  12.250
  738   2HG   LYS 123          2HG       LYS 123  -5.165   4.099  11.348
  739   1HD   LYS 123          1HD       LYS 123  -5.678   1.667  11.306
  740   2HD   LYS 123          2HD       LYS 123  -4.278   1.395  12.344
  741   1HE   LYS 123          1HE       LYS 123  -6.177   1.457  13.761
  742   2HE   LYS 123          2HE       LYS 123  -5.319   2.980  13.988
  743   1HZ   LYS 123          1HZ       LYS 123  -7.711   2.593  12.265
  744   2HZ   LYS 123          2HZ       LYS 123  -6.913   4.062  12.532
  745   3HZ   LYS 123          3HZ       LYS 123  -7.720   3.294  13.809
  746    H    ARG 124           H        ARG 124  -7.137   2.825   8.818
  747    HA   ARG 124           HA       ARG 124  -7.301   5.426   7.629
  748   1HB   ARG 124          1HB       ARG 124  -9.675   5.134   7.629
  749   2HB   ARG 124          2HB       ARG 124  -8.951   3.594   7.196
  750   1HG   ARG 124          1HG       ARG 124  -9.664   2.566   9.091
  751   2HG   ARG 124          2HG       ARG 124  -9.565   4.040  10.061
  752   1HD   ARG 124          1HD       ARG 124 -11.673   3.417   7.990
  753   2HD   ARG 124          2HD       ARG 124 -11.890   3.349   9.741
  754    HE   ARG 124           HE       ARG 124 -11.082   5.869   9.421
  755   1HH1  ARG 124          1HH1      ARG 124 -13.533   4.035   7.707
  756   2HH1  ARG 124          2HH1      ARG 124 -14.457   5.448   7.284
  757   1HH2  ARG 124          1HH2      ARG 124 -12.275   7.708   8.861
  758   2HH2  ARG 124          2HH2      ARG 124 -13.745   7.537   7.939
  759    H    VAL 125           H        VAL 125  -8.731   7.137   8.571
  760    HA   VAL 125           HA       VAL 125  -8.429   7.286  11.485
  761    HB   VAL 125           HB       VAL 125  -6.941   8.620  10.478
  762   1HG1  VAL 125          1HG1      VAL 125  -7.981   8.963   8.315
  763   2HG1  VAL 125          2HG1      VAL 125  -7.625  10.512   9.079
  764   3HG1  VAL 125          3HG1      VAL 125  -9.278   9.894   9.064
  765   1HG2  VAL 125          1HG2      VAL 125  -9.242  10.129  11.681
  766   2HG2  VAL 125          2HG2      VAL 125  -7.592  10.729  11.515
  767   3HG2  VAL 125          3HG2      VAL 125  -7.927   9.343  12.553
  768    H2   HC4 169           H2       HC4 169  -8.284   4.458  -3.666
  769    H3   HC4 169           H3       HC4 169  -8.284   2.046  -5.405
  770    H2'  HC4 169           H2'      HC4 169  -8.441  -0.104  -4.058
  771    H3'  HC4 169           H3'      HC4 169  -9.033  -1.289  -1.989
  772    H5'  HC4 169           H5'      HC4 169  -8.990   2.414   0.110
  773    H6'  HC4 169           H6'      HC4 169  -8.597   3.603  -2.006
  Start of MODEL   18
    1    H    LEU  26           H        LEU  26 -10.322  -7.725  11.258
    2    HA   LEU  26           HA       LEU  26  -9.676  -5.905  12.712
    3   1HB   LEU  26          1HB       LEU  26  -7.694  -6.550  10.529
    4   2HB   LEU  26          2HB       LEU  26  -7.273  -5.825  12.069
    5    HG   LEU  26           HG       LEU  26  -8.352  -8.578  11.569
    6   1HD1  LEU  26          1HD1      LEU  26  -6.213  -9.308  12.493
    7   2HD1  LEU  26          2HD1      LEU  26  -5.715  -7.624  12.662
    8   3HD1  LEU  26          3HD1      LEU  26  -5.992  -8.305  11.059
    9   1HD2  LEU  26          1HD2      LEU  26  -9.329  -7.681  13.619
   10   2HD2  LEU  26          2HD2      LEU  26  -7.721  -7.251  14.201
   11   3HD2  LEU  26          3HD2      LEU  26  -8.155  -8.946  13.979
   12    H    ALA  27           H        ALA  27  -7.935  -3.986  12.442
   13    HA   ALA  27           HA       ALA  27  -9.121  -2.069  10.536
   14   1HB   ALA  27          1HB       ALA  27 -10.018  -1.686  12.788
   15   2HB   ALA  27          2HB       ALA  27  -9.019  -0.339  12.243
   16   3HB   ALA  27          3HB       ALA  27  -8.376  -1.499  13.404
   17    H    PHE  28           H        PHE  28  -6.330  -2.972  12.498
   18    HA   PHE  28           HA       PHE  28  -4.596  -1.077  11.180
   19   1HB   PHE  28          1HB       PHE  28  -3.920  -3.437  12.959
   20   2HB   PHE  28          2HB       PHE  28  -2.785  -2.202  12.427
   21    HD1  PHE  28           HD1      PHE  28  -3.277   0.218  13.114
   22    HD2  PHE  28           HD2      PHE  28  -5.125  -3.164  14.918
   23    HE1  PHE  28           HE1      PHE  28  -3.843   1.582  15.081
   24    HE2  PHE  28           HE2      PHE  28  -5.690  -1.806  16.890
   25    HZ   PHE  28           HZ       PHE  28  -5.050   0.577  16.967
   26    H    GLY  29           H        GLY  29  -3.801  -1.387   9.189
   27   1HA   GLY  29          1HA       GLY  29  -4.077  -4.088   8.069
   28   2HA   GLY  29          2HA       GLY  29  -4.060  -2.595   7.144
   29    H    ALA  30           H        ALA  30  -2.328  -5.257   7.982
   30    HA   ALA  30           HA       ALA  30   0.253  -3.949   7.504
   31   1HB   ALA  30          1HB       ALA  30   1.272  -6.011   8.315
   32   2HB   ALA  30          2HB       ALA  30  -0.324  -6.737   8.507
   33   3HB   ALA  30          3HB       ALA  30   0.143  -5.358   9.503
   34    H    ILE  31           H        ILE  31   0.556  -3.773   5.400
   35    HA   ILE  31           HA       ILE  31  -0.036  -6.097   3.684
   36    HB   ILE  31           HB       ILE  31   0.337  -3.340   2.939
   37   1HG1  ILE  31          1HG1      ILE  31  -2.206  -4.878   3.452
   38   2HG1  ILE  31          2HG1      ILE  31  -1.586  -3.563   4.443
   39   1HG2  ILE  31          1HG2      ILE  31  -0.795  -5.746   1.522
   40   2HG2  ILE  31          2HG2      ILE  31   0.745  -4.962   1.172
   41   3HG2  ILE  31          3HG2      ILE  31  -0.767  -4.100   0.890
   42   1HD1  ILE  31          1HD1      ILE  31  -3.361  -2.791   2.989
   43   2HD1  ILE  31          2HD1      ILE  31  -2.470  -3.354   1.575
   44   3HD1  ILE  31          3HD1      ILE  31  -1.830  -2.033   2.553
   45    H    GLN  32           H        GLN  32   1.582  -6.526   1.966
   46    HA   GLN  32           HA       GLN  32   4.197  -5.301   2.589
   47   1HB   GLN  32          1HB       GLN  32   3.907  -7.766   3.131
   48   2HB   GLN  32          2HB       GLN  32   3.803  -8.045   1.400
   49   1HG   GLN  32          1HG       GLN  32   6.043  -7.268   1.072
   50   2HG   GLN  32          2HG       GLN  32   6.149  -6.728   2.747
   51   1HE2  GLN  32          1HE2      GLN  32   7.914  -8.000   3.220
   52   2HE2  GLN  32          2HE2      GLN  32   7.815  -9.721   3.357
   53    H    LEU  33           H        LEU  33   4.744  -3.891   1.048
   54    HA   LEU  33           HA       LEU  33   4.053  -4.529  -1.748
   55   1HB   LEU  33          1HB       LEU  33   4.804  -1.756  -0.895
   56   2HB   LEU  33          2HB       LEU  33   3.908  -2.266  -2.307
   57    HG   LEU  33           HG       LEU  33   2.908  -1.991   0.515
   58   1HD1  LEU  33          1HD1      LEU  33   2.112  -0.716  -2.088
   59   2HD1  LEU  33          2HD1      LEU  33   2.977   0.052  -0.757
   60   3HD1  LEU  33          3HD1      LEU  33   1.306  -0.467  -0.541
   61   1HD2  LEU  33          1HD2      LEU  33   0.748  -2.820  -0.292
   62   2HD2  LEU  33          2HD2      LEU  33   1.996  -4.063  -0.397
   63   3HD2  LEU  33          3HD2      LEU  33   1.480  -3.204  -1.850
   64    H    ASP  34           H        ASP  34   5.731  -4.373  -3.291
   65    HA   ASP  34           HA       ASP  34   8.406  -4.208  -2.067
   66   1HB   ASP  34          1HB       ASP  34   9.207  -5.717  -3.596
   67   2HB   ASP  34          2HB       ASP  34   7.534  -6.259  -3.497
   68    H    GLY  35           H        GLY  35  10.139  -3.438  -3.702
   69   1HA   GLY  35          1HA       GLY  35   9.881  -0.700  -3.874
   70   2HA   GLY  35          2HA       GLY  35  11.070  -1.637  -4.756
   71    H    ASP  36           H        ASP  36   9.060  -3.045  -6.384
   72    HA   ASP  36           HA       ASP  36   8.773  -0.989  -8.390
   73   1HB   ASP  36          1HB       ASP  36   8.468  -3.939  -8.329
   74   2HB   ASP  36          2HB       ASP  36   7.548  -3.067  -9.551
   75    H    GLY  37           H        GLY  37   6.779  -2.380  -5.978
   76   1HA   GLY  37          1HA       GLY  37   4.797  -1.150  -5.354
   77   2HA   GLY  37          2HA       GLY  37   4.520  -0.826  -7.058
   78    H    ASN  38           H        ASN  38   5.522  -4.014  -6.303
   79    HA   ASN  38           HA       ASN  38   2.927  -5.029  -7.090
   80   1HB   ASN  38          1HB       ASN  38   5.588  -6.316  -6.525
   81   2HB   ASN  38          2HB       ASN  38   4.126  -7.281  -6.703
   82   1HD2  ASN  38          1HD2      ASN  38   2.958  -5.517  -8.687
   83   2HD2  ASN  38          2HD2      ASN  38   3.831  -5.780 -10.158
   84    H    ILE  39           H        ILE  39   1.616  -6.343  -5.856
   85    HA   ILE  39           HA       ILE  39   1.889  -5.904  -2.994
   86    HB   ILE  39           HB       ILE  39  -0.194  -7.312  -4.367
   87   1HG1  ILE  39          1HG1      ILE  39   0.140  -5.090  -5.402
   88   2HG1  ILE  39          2HG1      ILE  39  -1.379  -5.224  -4.519
   89   1HG2  ILE  39          1HG2      ILE  39  -0.062  -7.551  -1.944
   90   2HG2  ILE  39          2HG2      ILE  39  -1.444  -6.551  -2.393
   91   3HG2  ILE  39          3HG2      ILE  39   0.021  -5.798  -1.764
   92   1HD1  ILE  39          1HD1      ILE  39  -0.323  -3.083  -4.128
   93   2HD1  ILE  39          2HD1      ILE  39   1.125  -3.894  -3.529
   94   3HD1  ILE  39          3HD1      ILE  39  -0.394  -4.030  -2.641
   95    H    LEU  40           H        LEU  40   2.085  -7.498  -1.522
   96    HA   LEU  40           HA       LEU  40   2.693 -10.189  -2.453
   97   1HB   LEU  40          1HB       LEU  40   3.208  -8.537  -0.061
   98   2HB   LEU  40          2HB       LEU  40   3.045 -10.260   0.205
   99    HG   LEU  40           HG       LEU  40   5.400  -9.447  -0.118
  100   1HD1  LEU  40          1HD1      LEU  40   4.389 -11.395  -2.187
  101   2HD1  LEU  40          2HD1      LEU  40   4.827 -11.786  -0.524
  102   3HD1  LEU  40          3HD1      LEU  40   6.062 -11.236  -1.656
  103   1HD2  LEU  40          1HD2      LEU  40   5.051  -7.720  -1.744
  104   2HD2  LEU  40          2HD2      LEU  40   4.377  -8.875  -2.894
  105   3HD2  LEU  40          3HD2      LEU  40   6.090  -8.953  -2.462
  106    H    GLN  41           H        GLN  41   0.881  -8.719   0.204
  107    HA   GLN  41           HA       GLN  41  -1.485 -10.180  -0.229
  108   1HB   GLN  41          1HB       GLN  41  -1.328 -11.584   1.866
  109   2HB   GLN  41          2HB       GLN  41  -0.328 -12.111   0.525
  110   1HG   GLN  41          1HG       GLN  41   1.047 -12.351   2.372
  111   2HG   GLN  41          2HG       GLN  41   1.566 -10.830   1.658
  112   1HE2  GLN  41          1HE2      GLN  41   2.434 -10.079   3.571
  113   2HE2  GLN  41          2HE2      GLN  41   1.450  -9.575   4.899
  114    H    TYR  42           H        TYR  42  -3.071  -9.743   1.376
  115    HA   TYR  42           HA       TYR  42  -2.430  -7.427   3.078
  116   1HB   TYR  42          1HB       TYR  42  -5.153  -8.281   2.052
  117   2HB   TYR  42          2HB       TYR  42  -4.825  -6.888   3.060
  118    HD1  TYR  42           HD1      TYR  42  -6.357  -6.264   0.767
  119    HD2  TYR  42           HD2      TYR  42  -2.126  -6.820   1.009
  120    HE1  TYR  42           HE1      TYR  42  -6.041  -4.924  -1.274
  121    HE2  TYR  42           HE2      TYR  42  -1.828  -5.473  -1.010
  122    HH   TYR  42           HH       TYR  42  -3.120  -4.817  -2.985
  123    H    ASN  43           H        ASN  43  -3.103  -7.457   5.229
  124    HA   ASN  43           HA       ASN  43  -3.544 -10.060   6.382
  125   1HB   ASN  43          1HB       ASN  43  -3.341  -8.985   8.515
  126   2HB   ASN  43          2HB       ASN  43  -2.129  -8.274   7.458
  127   1HD2  ASN  43          1HD2      ASN  43  -3.323  -7.234   9.886
  128   2HD2  ASN  43          2HD2      ASN  43  -4.053  -5.700   9.450
  129    H    ALA  44           H        ALA  44  -5.294  -9.685   8.430
  130    HA   ALA  44           HA       ALA  44  -7.786  -9.851   7.002
  131   1HB   ALA  44          1HB       ALA  44  -7.254 -10.072   9.960
  132   2HB   ALA  44          2HB       ALA  44  -7.224 -11.407   8.808
  133   3HB   ALA  44          3HB       ALA  44  -8.732 -10.550   9.121
  134    H    ALA  45           H        ALA  45  -6.344  -7.168   7.470
  135    HA   ALA  45           HA       ALA  45  -8.508  -5.700   8.769
  136   1HB   ALA  45          1HB       ALA  45  -5.858  -4.756   7.697
  137   2HB   ALA  45          2HB       ALA  45  -6.234  -5.108   9.386
  138   3HB   ALA  45          3HB       ALA  45  -7.026  -3.762   8.567
  139    H    GLU  46           H        GLU  46  -6.596  -5.306   5.798
  140    HA   GLU  46           HA       GLU  46  -8.264  -3.349   4.705
  141   1HB   GLU  46          1HB       GLU  46  -5.850  -3.891   4.122
  142   2HB   GLU  46          2HB       GLU  46  -6.480  -5.195   3.128
  143   1HG   GLU  46          1HG       GLU  46  -5.958  -3.164   1.847
  144   2HG   GLU  46          2HG       GLU  46  -7.652  -3.639   1.727
  145    HE2  GLU  46           HE2      GLU  46  -7.879  -0.818   1.116
  146    H    GLY  47           H        GLY  47  -8.015  -6.810   3.931
  147   1HA   GLY  47          1HA       GLY  47 -10.188  -6.712   2.058
  148   2HA   GLY  47          2HA       GLY  47  -9.360  -8.155   2.624
  149    H    ASP  48           H        ASP  48 -10.158  -6.638   5.376
  150    HA   ASP  48           HA       ASP  48 -12.478  -8.324   5.810
  151   1HB   ASP  48          1HB       ASP  48 -10.754  -8.136   7.539
  152   2HB   ASP  48          2HB       ASP  48 -11.013  -6.402   7.630
  153    H    ILE  49           H        ILE  49 -11.809  -5.133   4.880
  154    HA   ILE  49           HA       ILE  49 -14.498  -4.244   5.671
  155    HB   ILE  49           HB       ILE  49 -12.159  -2.757   4.944
  156   1HG1  ILE  49          1HG1      ILE  49 -11.899  -3.843   7.057
  157   2HG1  ILE  49          2HG1      ILE  49 -12.176  -2.126   7.300
  158   1HG2  ILE  49          1HG2      ILE  49 -14.209  -1.612   4.289
  159   2HG2  ILE  49          2HG2      ILE  49 -13.489  -0.835   5.699
  160   3HG2  ILE  49          3HG2      ILE  49 -14.887  -1.892   5.893
  161   1HD1  ILE  49          1HD1      ILE  49 -14.500  -2.580   7.888
  162   2HD1  ILE  49          2HD1      ILE  49 -13.383  -3.451   8.939
  163   3HD1  ILE  49          3HD1      ILE  49 -14.224  -4.306   7.647
  164    H    THR  50           H        THR  50 -12.127  -3.556   3.059
  165    HA   THR  50           HA       THR  50 -14.169  -3.884   1.031
  166    HB   THR  50           HB       THR  50 -12.874  -1.348   1.488
  167    HG1  THR  50           HG1      THR  50 -15.172  -2.487   2.446
  168   1HG2  THR  50          1HG2      THR  50 -14.351  -0.589  -0.292
  169   2HG2  THR  50          2HG2      THR  50 -14.930  -2.238  -0.527
  170   3HG2  THR  50          3HG2      THR  50 -13.248  -1.836  -0.872
  171    H    GLY  51           H        GLY  51 -10.898  -2.819   1.865
  172   1HA   GLY  51          1HA       GLY  51  -9.927  -2.446  -0.725
  173   2HA   GLY  51          2HA       GLY  51  -8.949  -2.704   0.703
  174    H    ARG  52           H        ARG  52 -10.627  -4.270  -1.934
  175    HA   ARG  52           HA       ARG  52 -10.066  -6.007  -3.260
  176   1HB   ARG  52          1HB       ARG  52  -7.378  -5.776  -1.892
  177   2HB   ARG  52          2HB       ARG  52  -7.704  -6.717  -3.346
  178   1HG   ARG  52          1HG       ARG  52  -7.811  -3.729  -3.038
  179   2HG   ARG  52          2HG       ARG  52  -6.692  -4.678  -4.017
  180   1HD   ARG  52          1HD       ARG  52  -9.665  -4.414  -4.449
  181   2HD   ARG  52          2HD       ARG  52  -8.403  -3.641  -5.403
  182    HE   ARG  52           HE       ARG  52  -7.713  -6.060  -5.904
  183   1HH1  ARG  52          1HH1      ARG  52 -11.006  -5.024  -5.334
  184   2HH1  ARG  52          2HH1      ARG  52 -11.709  -6.237  -6.371
  185   1HH2  ARG  52          1HH2      ARG  52  -8.641  -7.676  -7.281
  186   2HH2  ARG  52          2HH2      ARG  52 -10.371  -7.740  -7.458
  187    H    ASP  53           H        ASP  53  -8.936  -8.259  -3.216
  188    HA   ASP  53           HA       ASP  53  -9.645  -9.654  -0.739
  189   1HB   ASP  53          1HB       ASP  53 -10.676 -10.626  -2.713
  190   2HB   ASP  53          2HB       ASP  53  -9.123 -10.681  -3.542
  191    HA   PRO  54           HA       PRO  54  -5.441  -9.575   0.493
  192   1HB   PRO  54          1HB       PRO  54  -6.018 -12.258   1.648
  193   2HB   PRO  54          2HB       PRO  54  -5.357 -10.812   2.420
  194   1HG   PRO  54          1HG       PRO  54  -7.878 -11.524   2.850
  195   2HG   PRO  54          2HG       PRO  54  -7.444  -9.815   2.644
  196   1HD   PRO  54          1HD       PRO  54  -8.735 -11.692   0.706
  197   2HD   PRO  54          2HD       PRO  54  -9.061  -9.971   1.001
  198    H    LYS  55           H        LYS  55  -6.648 -12.239  -1.430
  199    HA   LYS  55           HA       LYS  55  -3.874 -13.158  -1.846
  200   1HB   LYS  55          1HB       LYS  55  -6.401 -14.686  -2.489
  201   2HB   LYS  55          2HB       LYS  55  -4.754 -15.293  -2.548
  202   1HG   LYS  55          1HG       LYS  55  -5.443 -16.177  -0.565
  203   2HG   LYS  55          2HG       LYS  55  -4.768 -14.648   0.002
  204   1HD   LYS  55          1HD       LYS  55  -6.904 -14.996   1.058
  205   2HD   LYS  55          2HD       LYS  55  -7.048 -13.665  -0.092
  206   1HE   LYS  55          1HE       LYS  55  -7.961 -15.292  -1.750
  207   2HE   LYS  55          2HE       LYS  55  -7.958 -16.515  -0.479
  208   1HZ   LYS  55          1HZ       LYS  55 -10.123 -15.612  -0.580
  209   2HZ   LYS  55          2HZ       LYS  55  -9.554 -14.015  -0.589
  210   3HZ   LYS  55          3HZ       LYS  55  -9.410 -14.959   0.818
  211    H    GLN  56           H        GLN  56  -6.137 -11.234  -3.269
  212    HA   GLN  56           HA       GLN  56  -5.535 -12.167  -5.990
  213   1HB   GLN  56          1HB       GLN  56  -7.730 -10.386  -4.944
  214   2HB   GLN  56          2HB       GLN  56  -7.433 -10.656  -6.657
  215   1HG   GLN  56          1HG       GLN  56  -7.753 -13.093  -6.254
  216   2HG   GLN  56          2HG       GLN  56  -8.232 -12.702  -4.602
  217   1HE2  GLN  56          1HE2      GLN  56 -10.303 -13.519  -4.885
  218   2HE2  GLN  56          2HE2      GLN  56 -11.498 -12.700  -5.840
  219    H    VAL  57           H        VAL  57  -3.785 -10.505  -4.219
  220    HA   VAL  57           HA       VAL  57  -3.456  -8.259  -6.097
  221    HB   VAL  57           HB       VAL  57  -2.087  -7.361  -4.317
  222   1HG1  VAL  57          1HG1      VAL  57  -5.104  -7.582  -4.120
  223   2HG1  VAL  57          2HG1      VAL  57  -4.217  -6.463  -5.155
  224   3HG1  VAL  57          3HG1      VAL  57  -4.109  -6.314  -3.401
  225   1HG2  VAL  57          1HG2      VAL  57  -3.769  -9.348  -2.785
  226   2HG2  VAL  57          2HG2      VAL  57  -2.895  -7.991  -2.075
  227   3HG2  VAL  57          3HG2      VAL  57  -2.007  -9.292  -2.868
  228    H    ILE  58           H        ILE  58  -2.340 -11.141  -5.850
  229    HA   ILE  58           HA       ILE  58   0.454 -10.609  -5.350
  230    HB   ILE  58           HB       ILE  58  -0.780 -13.012  -6.327
  231   1HG1  ILE  58          1HG1      ILE  58  -0.248 -12.108  -3.496
  232   2HG1  ILE  58          2HG1      ILE  58  -1.839 -12.236  -4.239
  233   1HG2  ILE  58          1HG2      ILE  58   1.824 -12.427  -4.916
  234   2HG2  ILE  58          2HG2      ILE  58   1.643 -12.877  -6.611
  235   3HG2  ILE  58          3HG2      ILE  58   1.223 -14.030  -5.344
  236   1HD1  ILE  58          1HD1      ILE  58   0.071 -14.506  -3.731
  237   2HD1  ILE  58          2HD1      ILE  58  -1.509 -14.646  -4.501
  238   3HD1  ILE  58          3HD1      ILE  58  -1.391 -14.141  -2.816
  239    H    GLY  59           H        GLY  59   2.040 -10.442  -6.810
  240   1HA   GLY  59          1HA       GLY  59   3.036 -10.141  -8.863
  241   2HA   GLY  59          2HA       GLY  59   1.795 -11.189  -9.537
  242    H    LYS  60           H        LYS  60   0.781  -8.459  -7.731
  243    HA   LYS  60           HA       LYS  60  -0.017  -7.161 -10.240
  244   1HB   LYS  60          1HB       LYS  60  -1.626  -7.926  -7.830
  245   2HB   LYS  60          2HB       LYS  60  -2.121  -6.553  -8.829
  246   1HG   LYS  60          1HG       LYS  60  -2.020  -8.115 -10.808
  247   2HG   LYS  60          2HG       LYS  60  -1.839  -9.428  -9.646
  248   1HD   LYS  60          1HD       LYS  60  -3.981  -8.835  -8.636
  249   2HD   LYS  60          2HD       LYS  60  -4.156  -7.500  -9.780
  250   1HE   LYS  60          1HE       LYS  60  -4.057  -9.148 -11.635
  251   2HE   LYS  60          2HE       LYS  60  -4.021 -10.442 -10.441
  252   1HZ   LYS  60          1HZ       LYS  60  -6.184  -9.606  -9.622
  253   2HZ   LYS  60          2HZ       LYS  60  -6.237 -10.191 -11.209
  254   3HZ   LYS  60          3HZ       LYS  60  -6.228  -8.519 -10.923
  255    H    ASN  61           H        ASN  61  -0.268  -4.895 -10.169
  256    HA   ASN  61           HA       ASN  61   1.564  -3.738  -8.192
  257   1HB   ASN  61          1HB       ASN  61   1.899  -3.589 -10.738
  258   2HB   ASN  61          2HB       ASN  61   0.602  -2.402 -10.712
  259   1HD2  ASN  61          1HD2      ASN  61   3.884  -3.085  -9.889
  260   2HD2  ASN  61          2HD2      ASN  61   4.335  -1.470  -9.456
  261    H    PHE  62           H        PHE  62   0.865  -2.501  -6.633
  262    HA   PHE  62           HA       PHE  62  -1.815  -1.746  -6.205
  263   1HB   PHE  62          1HB       PHE  62  -0.021  -2.034  -4.463
  264   2HB   PHE  62          2HB       PHE  62   0.646  -0.491  -4.976
  265    HD1  PHE  62           HD1      PHE  62   0.015   1.402  -3.851
  266    HD2  PHE  62           HD2      PHE  62  -2.575  -1.972  -3.814
  267    HE1  PHE  62           HE1      PHE  62  -1.489   2.581  -2.301
  268    HE2  PHE  62           HE2      PHE  62  -4.084  -0.802  -2.263
  269    HZ   PHE  62           HZ       PHE  62  -3.517   1.441  -1.455
  270    H    PHE  63           H        PHE  63   0.415  -0.402  -8.311
  271    HA   PHE  63           HA       PHE  63  -0.978   2.190  -8.243
  272   1HB   PHE  63          1HB       PHE  63   1.905   1.722  -9.054
  273   2HB   PHE  63          2HB       PHE  63   1.088   3.276  -8.914
  274    HD1  PHE  63           HD1      PHE  63   2.713   0.559  -7.113
  275    HD2  PHE  63           HD2      PHE  63   0.567   4.214  -6.721
  276    HE1  PHE  63           HE1      PHE  63   3.435   0.729  -4.765
  277    HE2  PHE  63           HE2      PHE  63   1.286   4.393  -4.376
  278    HZ   PHE  63           HZ       PHE  63   2.719   2.620  -3.392
  279    H    LYS  64           H        LYS  64  -1.414  -0.360  -9.802
  280    HA   LYS  64           HA       LYS  64  -1.548   0.841 -12.438
  281   1HB   LYS  64          1HB       LYS  64   0.136  -1.580 -11.843
  282   2HB   LYS  64          2HB       LYS  64  -0.505  -1.270 -13.448
  283   1HG   LYS  64          1HG       LYS  64   1.297   0.597 -11.915
  284   2HG   LYS  64          2HG       LYS  64   1.827  -0.526 -13.170
  285   1HD   LYS  64          1HD       LYS  64   0.419   0.620 -14.803
  286   2HD   LYS  64          2HD       LYS  64  -0.158   1.719 -13.549
  287   1HE   LYS  64          1HE       LYS  64   2.716   1.450 -14.424
  288   2HE   LYS  64          2HE       LYS  64   1.608   2.704 -14.974
  289   1HZ   LYS  64          1HZ       LYS  64   3.037   3.460 -13.155
  290   2HZ   LYS  64          2HZ       LYS  64   2.398   2.255 -12.150
  291   3HZ   LYS  64          3HZ       LYS  64   1.398   3.491 -12.722
  292    H    ASP  65           H        ASP  65  -2.124  -2.046 -10.445
  293    HA   ASP  65           HA       ASP  65  -4.159  -2.889 -12.378
  294   1HB   ASP  65          1HB       ASP  65  -2.834  -4.461 -10.162
  295   2HB   ASP  65          2HB       ASP  65  -4.036  -5.095 -11.279
  296    H    VAL  66           H        VAL  66  -3.860  -3.449  -8.897
  297    HA   VAL  66           HA       VAL  66  -6.730  -3.358  -8.710
  298    HB   VAL  66           HB       VAL  66  -6.343  -3.876  -6.495
  299   1HG1  VAL  66          1HG1      VAL  66  -6.832  -5.516  -8.231
  300   2HG1  VAL  66          2HG1      VAL  66  -5.696  -6.173  -7.052
  301   3HG1  VAL  66          3HG1      VAL  66  -5.115  -5.614  -8.620
  302   1HG2  VAL  66          1HG2      VAL  66  -3.478  -4.168  -7.327
  303   2HG2  VAL  66          2HG2      VAL  66  -4.181  -4.603  -5.772
  304   3HG2  VAL  66          3HG2      VAL  66  -4.095  -2.911  -6.256
  305    H    ALA  67           H        ALA  67  -4.864  -0.939  -8.932
  306    HA   ALA  67           HA       ALA  67  -6.484   0.869  -7.505
  307   1HB   ALA  67          1HB       ALA  67  -5.242   0.065  -5.562
  308   2HB   ALA  67          2HB       ALA  67  -4.839   1.746  -5.912
  309   3HB   ALA  67          3HB       ALA  67  -3.720   0.459  -6.361
  310    HA   PRO  68           HA       PRO  68  -4.126   2.982 -10.722
  311   1HB   PRO  68          1HB       PRO  68  -6.225   3.712 -12.224
  312   2HB   PRO  68          2HB       PRO  68  -5.582   2.068 -12.254
  313   1HG   PRO  68          1HG       PRO  68  -8.094   3.070 -11.105
  314   2HG   PRO  68          2HG       PRO  68  -7.657   1.422 -11.578
  315   1HD   PRO  68          1HD       PRO  68  -7.614   2.623  -8.942
  316   2HD   PRO  68          2HD       PRO  68  -7.307   0.934  -9.396
  317    H    CYS  69           H        CYS  69  -5.576   4.111  -8.098
  318    HA   CYS  69           HA       CYS  69  -5.603   6.880  -9.106
  319   1HB   CYS  69          1HB       CYS  69  -6.998   7.542  -7.315
  320   2HB   CYS  69          2HB       CYS  69  -7.685   6.034  -7.898
  321    H    THR  70           H        THR  70  -3.465   4.918  -8.150
  322    HA   THR  70           HA       THR  70  -2.437   6.335  -5.820
  323    HB   THR  70           HB       THR  70  -1.083   4.337  -5.756
  324    HG1  THR  70           HG1      THR  70  -2.177   2.593  -6.877
  325   1HG2  THR  70          1HG2      THR  70  -2.911   4.866  -4.239
  326   2HG2  THR  70          2HG2      THR  70  -2.923   3.157  -4.675
  327   3HG2  THR  70          3HG2      THR  70  -4.074   4.266  -5.420
  328    H    ASP  71           H        ASP  71  -1.339   4.954  -8.906
  329    HA   ASP  71           HA       ASP  71   1.358   5.790  -8.689
  330   1HB   ASP  71          1HB       ASP  71   0.733   4.102 -10.306
  331   2HB   ASP  71          2HB       ASP  71  -0.348   5.232 -11.116
  332    H    SER  72           H        SER  72   1.850   7.874  -8.305
  333    HA   SER  72           HA       SER  72   1.336   9.860 -10.259
  334   1HB   SER  72          1HB       SER  72  -0.921   9.647  -9.114
  335   2HB   SER  72          2HB       SER  72  -0.150  10.239  -7.646
  336    HG   SER  72           HG       SER  72  -0.069  12.200  -8.440
  337    HA   PRO  73           HA       PRO  73   5.015  11.715  -8.779
  338   1HB   PRO  73          1HB       PRO  73   3.278  14.129  -8.398
  339   2HB   PRO  73          2HB       PRO  73   4.900  14.015  -9.098
  340   1HG   PRO  73          1HG       PRO  73   2.755  14.159 -10.666
  341   2HG   PRO  73          2HG       PRO  73   4.121  13.110 -11.086
  342   1HD   PRO  73          1HD       PRO  73   1.421  12.390 -10.129
  343   2HD   PRO  73          2HD       PRO  73   2.575  11.437 -11.079
  344    H    GLU  74           H        GLU  74   2.155  12.624  -6.811
  345    HA   GLU  74           HA       GLU  74   3.941  12.975  -4.534
  346   1HB   GLU  74          1HB       GLU  74   2.028  13.916  -3.341
  347   2HB   GLU  74          2HB       GLU  74   2.299  14.734  -4.869
  348   1HG   GLU  74          1HG       GLU  74   0.242  12.572  -4.509
  349   2HG   GLU  74          2HG       GLU  74  -0.095  14.282  -4.244
  350    H    PHE  75           H        PHE  75   1.268  10.860  -5.530
  351    HA   PHE  75           HA       PHE  75   1.093   9.573  -2.979
  352   1HB   PHE  75          1HB       PHE  75   0.210   8.446  -5.642
  353   2HB   PHE  75          2HB       PHE  75  -0.344   7.951  -4.049
  354    HD1  PHE  75           HD1      PHE  75  -1.387   9.545  -6.851
  355    HD2  PHE  75           HD2      PHE  75  -1.170  10.201  -2.652
  356    HE1  PHE  75           HE1      PHE  75  -3.238  11.160  -7.010
  357    HE2  PHE  75           HE2      PHE  75  -3.029  11.806  -2.804
  358    HZ   PHE  75           HZ       PHE  75  -4.118  12.225  -5.020
  359    H    TYR  76           H        TYR  76   2.068   8.165  -6.092
  360    HA   TYR  76           HA       TYR  76   3.454   5.986  -4.990
  361   1HB   TYR  76          1HB       TYR  76   2.634   6.009  -7.311
  362   2HB   TYR  76          2HB       TYR  76   3.777   7.285  -7.711
  363    HD1  TYR  76           HD1      TYR  76   5.674   6.638  -8.831
  364    HD2  TYR  76           HD2      TYR  76   3.842   3.864  -6.178
  365    HE1  TYR  76           HE1      TYR  76   7.364   4.961  -9.433
  366    HE2  TYR  76           HE2      TYR  76   5.530   2.173  -6.773
  367    HH   TYR  76           HH       TYR  76   8.376   2.923  -8.452
  368    H    GLY  77           H        GLY  77   4.418   9.238  -5.809
  369   1HA   GLY  77          1HA       GLY  77   7.195   8.951  -5.766
  370   2HA   GLY  77          2HA       GLY  77   6.324  10.430  -5.390
  371    H    LYS  78           H        LYS  78   4.909   9.169  -3.099
  372    HA   LYS  78           HA       LYS  78   6.992   9.709  -1.165
  373   1HB   LYS  78          1HB       LYS  78   4.105   8.921  -0.786
  374   2HB   LYS  78          2HB       LYS  78   5.207   9.278   0.536
  375   1HG   LYS  78          1HG       LYS  78   4.411  11.184  -1.650
  376   2HG   LYS  78          2HG       LYS  78   3.780  11.177  -0.004
  377   1HD   LYS  78          1HD       LYS  78   5.899  11.783   0.894
  378   2HD   LYS  78          2HD       LYS  78   6.702  11.512  -0.655
  379   1HE   LYS  78          1HE       LYS  78   6.356  13.904  -0.179
  380   2HE   LYS  78          2HE       LYS  78   5.525  13.376  -1.640
  381   1HZ   LYS  78          1HZ       LYS  78   3.477  13.184  -0.267
  382   2HZ   LYS  78          2HZ       LYS  78   4.057  14.765  -0.419
  383   3HZ   LYS  78          3HZ       LYS  78   4.313  13.907   1.017
  384    H    PHE  79           H        PHE  79   5.255   6.895  -2.325
  385    HA   PHE  79           HA       PHE  79   6.216   5.015  -0.461
  386   1HB   PHE  79          1HB       PHE  79   4.399   4.482  -1.991
  387   2HB   PHE  79          2HB       PHE  79   5.468   4.670  -3.374
  388    HD1  PHE  79           HD1      PHE  79   4.607   2.555  -0.510
  389    HD2  PHE  79           HD2      PHE  79   6.997   2.908  -4.024
  390    HE1  PHE  79           HE1      PHE  79   5.144   0.160  -0.392
  391    HE2  PHE  79           HE2      PHE  79   7.520   0.518  -3.909
  392    HZ   PHE  79           HZ       PHE  79   6.681  -0.835  -2.108
  393    H    LYS  80           H        LYS  80   7.745   6.642  -3.095
  394    HA   LYS  80           HA       LYS  80   9.916   4.704  -3.272
  395   1HB   LYS  80          1HB       LYS  80   9.484   7.249  -4.844
  396   2HB   LYS  80          2HB       LYS  80  10.661   5.994  -5.196
  397   1HG   LYS  80          1HG       LYS  80   7.673   5.629  -5.248
  398   2HG   LYS  80          2HG       LYS  80   8.699   5.890  -6.659
  399   1HD   LYS  80          1HD       LYS  80   9.123   3.616  -4.735
  400   2HD   LYS  80          2HD       LYS  80   8.063   3.484  -6.148
  401   1HE   LYS  80          1HE       LYS  80  10.236   4.451  -7.355
  402   2HE   LYS  80          2HE       LYS  80  11.023   3.670  -5.986
  403   1HZ   LYS  80          1HZ       LYS  80  10.871   2.165  -7.859
  404   2HZ   LYS  80          2HZ       LYS  80   9.187   2.368  -7.922
  405   3HZ   LYS  80          3HZ       LYS  80   9.895   1.599  -6.589
  406    H    GLU  81           H        GLU  81   9.243   7.352  -1.380
  407    HA   GLU  81           HA       GLU  81  11.535   8.930  -1.582
  408   1HB   GLU  81          1HB       GLU  81   9.593   8.481   0.663
  409   2HB   GLU  81          2HB       GLU  81  10.969   9.562   0.842
  410   1HG   GLU  81          1HG       GLU  81   8.883   9.806  -1.313
  411   2HG   GLU  81          2HG       GLU  81   8.873  10.709   0.201
  412    H    GLY  82           H        GLY  82  10.960   6.096   0.518
  413   1HA   GLY  82          1HA       GLY  82  13.580   6.274   1.680
  414   2HA   GLY  82          2HA       GLY  82  12.464   4.919   1.817
  415    H    VAL  83           H        VAL  83  12.055   4.391  -0.847
  416    HA   VAL  83           HA       VAL  83  14.027   2.611  -1.555
  417    HB   VAL  83           HB       VAL  83  12.494   4.181  -3.404
  418   1HG1  VAL  83          1HG1      VAL  83  14.198   2.737  -4.385
  419   2HG1  VAL  83          2HG1      VAL  83  12.579   2.111  -4.698
  420   3HG1  VAL  83          3HG1      VAL  83  13.583   1.370  -3.453
  421   1HG2  VAL  83          1HG2      VAL  83  11.039   3.434  -1.618
  422   2HG2  VAL  83          2HG2      VAL  83  11.665   1.792  -1.781
  423   3HG2  VAL  83          3HG2      VAL  83  10.749   2.524  -3.099
  424    H    ALA  84           H        ALA  84  13.627   5.957  -2.674
  425    HA   ALA  84           HA       ALA  84  15.632   6.093  -4.569
  426   1HB   ALA  84          1HB       ALA  84  15.586   8.504  -4.234
  427   2HB   ALA  84          2HB       ALA  84  14.743   8.283  -2.701
  428   3HB   ALA  84          3HB       ALA  84  13.956   7.831  -4.212
  429    H    SER  85           H        SER  85  15.948   6.280  -1.074
  430    HA   SER  85           HA       SER  85  18.751   6.997  -1.293
  431   1HB   SER  85          1HB       SER  85  17.271   7.968   0.487
  432   2HB   SER  85          2HB       SER  85  17.208   6.362   1.196
  433    HG   SER  85           HG       SER  85  19.410   6.436   1.577
  434    H    GLY  86           H        GLY  86  17.010   4.460   0.504
  435   1HA   GLY  86          1HA       GLY  86  18.616   2.370  -0.626
  436   2HA   GLY  86          2HA       GLY  86  19.105   2.772   1.014
  437    H    ASN  87           H        ASN  87  15.842   2.925  -0.239
  438    HA   ASN  87           HA       ASN  87  13.895   1.906   0.343
  439   1HB   ASN  87          1HB       ASN  87  15.709  -0.366   1.198
  440   2HB   ASN  87          2HB       ASN  87  13.956  -0.459   1.158
  441   1HD2  ASN  87          1HD2      ASN  87  15.936   1.165  -1.259
  442   2HD2  ASN  87          2HD2      ASN  87  15.587   0.059  -2.547
  443    H    LEU  88           H        LEU  88  12.847   2.896   2.034
  444    HA   LEU  88           HA       LEU  88  13.987   2.622   4.662
  445   1HB   LEU  88          1HB       LEU  88  15.195   4.501   3.572
  446   2HB   LEU  88          2HB       LEU  88  13.663   5.331   3.399
  447    HG   LEU  88           HG       LEU  88  13.447   5.388   5.870
  448   1HD1  LEU  88          1HD1      LEU  88  16.245   4.268   5.812
  449   2HD1  LEU  88          2HD1      LEU  88  14.805   3.438   6.400
  450   3HD1  LEU  88          3HD1      LEU  88  15.402   4.868   7.240
  451   1HD2  LEU  88          1HD2      LEU  88  14.364   7.293   4.669
  452   2HD2  LEU  88          2HD2      LEU  88  15.978   6.589   4.754
  453   3HD2  LEU  88          3HD2      LEU  88  15.161   7.100   6.231
  454    H    ASN  89           H        ASN  89  12.707   3.605   6.343
  455    HA   ASN  89           HA       ASN  89   9.917   3.041   5.899
  456   1HB   ASN  89          1HB       ASN  89  10.905   2.117   7.835
  457   2HB   ASN  89          2HB       ASN  89  11.585   3.658   8.334
  458   1HD2  ASN  89          1HD2      ASN  89  10.655   3.491  10.357
  459   2HD2  ASN  89          2HD2      ASN  89   8.965   3.726  10.620
  460    H    THR  90           H        THR  90   8.597   4.481   5.198
  461    HA   THR  90           HA       THR  90   8.897   7.270   6.089
  462    HB   THR  90           HB       THR  90   7.849   6.393   3.563
  463    HG1  THR  90           HG1      THR  90  10.066   5.774   3.804
  464   1HG2  THR  90          1HG2      THR  90   7.196   8.625   4.341
  465   2HG2  THR  90          2HG2      THR  90   8.287   8.702   2.959
  466   3HG2  THR  90          3HG2      THR  90   8.897   9.029   4.581
  467    H    MET  91           H        MET  91   6.989   8.370   6.534
  468    HA   MET  91           HA       MET  91   4.519   6.761   6.399
  469   1HB   MET  91          1HB       MET  91   3.683   7.970   8.344
  470   2HB   MET  91          2HB       MET  91   5.214   7.194   8.724
  471   1HG   MET  91          1HG       MET  91   6.377   9.276   8.599
  472   2HG   MET  91          2HG       MET  91   4.949  10.096   7.971
  473   1HE   MET  91          1HE       MET  91   5.175   7.446  10.895
  474   2HE   MET  91          2HE       MET  91   5.350   8.511  12.291
  475   3HE   MET  91          3HE       MET  91   6.634   8.420  11.084
  476    H    PHE  92           H        PHE  92   2.913   7.541   5.190
  477    HA   PHE  92           HA       PHE  92   2.738  10.430   4.804
  478   1HB   PHE  92          1HB       PHE  92   2.209   9.991   2.332
  479   2HB   PHE  92          2HB       PHE  92   3.894   9.946   2.832
  480    HD1  PHE  92           HD1      PHE  92   1.071   7.996   1.584
  481    HD2  PHE  92           HD2      PHE  92   5.119   7.851   2.894
  482    HE1  PHE  92           HE1      PHE  92   1.319   5.771   0.561
  483    HE2  PHE  92           HE2      PHE  92   5.370   5.625   1.880
  484    HZ   PHE  92           HZ       PHE  92   3.471   4.585   0.710
  485    H    GLU  93           H        GLU  93   0.696  11.208   4.286
  486    HA   GLU  93           HA       GLU  93  -1.475   9.308   4.895
  487   1HB   GLU  93          1HB       GLU  93  -1.053  11.093   6.596
  488   2HB   GLU  93          2HB       GLU  93  -1.420  12.296   5.369
  489   1HG   GLU  93          1HG       GLU  93  -3.685  11.337   5.156
  490   2HG   GLU  93          2HG       GLU  93  -3.304  10.223   6.469
  491    H    TYR  94           H        TYR  94  -2.727   8.870   3.225
  492    HA   TYR  94           HA       TYR  94  -3.372  10.952   1.291
  493   1HB   TYR  94          1HB       TYR  94  -2.016   8.354   0.612
  494   2HB   TYR  94          2HB       TYR  94  -3.014   9.200  -0.564
  495    HD1  TYR  94           HD1      TYR  94   0.249   8.724   0.456
  496    HD2  TYR  94           HD2      TYR  94  -2.407  11.849  -0.664
  497    HE1  TYR  94           HE1      TYR  94   2.169  10.129  -0.162
  498    HE2  TYR  94           HE2      TYR  94  -0.494  13.261  -1.296
  499    HH   TYR  94           HH       TYR  94   2.556  12.088  -1.778
  500    H    THR  95           H        THR  95  -5.055  10.131  -0.290
  501    HA   THR  95           HA       THR  95  -7.044   8.677   1.286
  502    HB   THR  95           HB       THR  95  -8.545   9.541  -0.274
  503    HG1  THR  95           HG1      THR  95  -6.702   9.944  -1.844
  504   1HG2  THR  95          1HG2      THR  95  -6.826  11.480   1.261
  505   2HG2  THR  95          2HG2      THR  95  -8.187  10.557   1.901
  506   3HG2  THR  95          3HG2      THR  95  -8.459  11.790   0.671
  507    H    PHE  96           H        PHE  96  -8.431   7.171   0.279
  508    HA   PHE  96           HA       PHE  96  -7.433   6.029  -2.252
  509   1HB   PHE  96          1HB       PHE  96  -8.813   4.662   0.073
  510   2HB   PHE  96          2HB       PHE  96  -8.551   3.901  -1.491
  511    HD1  PHE  96           HD1      PHE  96  -5.806   4.896  -2.086
  512    HD2  PHE  96           HD2      PHE  96  -7.514   3.364   1.500
  513    HE1  PHE  96           HE1      PHE  96  -3.586   4.130  -1.358
  514    HE2  PHE  96           HE2      PHE  96  -5.294   2.604   2.235
  515    HZ   PHE  96           HZ       PHE  96  -3.325   2.986   0.805
  516    H    ASP  97           H        ASP  97  -8.692   6.708  -3.832
  517    HA   ASP  97           HA       ASP  97 -11.592   6.839  -3.366
  518   1HB   ASP  97          1HB       ASP  97 -11.675   8.727  -4.945
  519   2HB   ASP  97          2HB       ASP  97 -10.663   9.089  -3.553
  520    H    TYR  98           H        TYR  98 -12.038   7.510  -6.179
  521    HA   TYR  98           HA       TYR  98 -12.401   6.554  -8.191
  522   1HB   TYR  98          1HB       TYR  98 -10.050   6.180  -8.465
  523   2HB   TYR  98          2HB       TYR  98 -10.084   4.794  -7.382
  524    HD1  TYR  98           HD1      TYR  98 -10.162   2.675  -8.303
  525    HD2  TYR  98           HD2      TYR  98 -11.592   5.968 -10.595
  526    HE1  TYR  98           HE1      TYR  98 -10.508   1.181 -10.223
  527    HE2  TYR  98           HE2      TYR  98 -11.936   4.478 -12.524
  528    HH   TYR  98           HH       TYR  98 -11.836   1.079 -12.256
  529    H    GLN  99           H        GLN  99 -11.532   3.656  -6.303
  530    HA   GLN  99           HA       GLN  99 -14.144   2.531  -7.036
  531   1HB   GLN  99          1HB       GLN  99 -13.191   0.362  -6.480
  532   2HB   GLN  99          2HB       GLN  99 -12.146   1.205  -7.614
  533   1HG   GLN  99          1HG       GLN  99 -10.715   1.884  -5.704
  534   2HG   GLN  99          2HG       GLN  99 -11.720   0.888  -4.652
  535   1HE2  GLN  99          1HE2      GLN  99  -9.324   0.914  -7.144
  536   2HE2  GLN  99          2HE2      GLN  99  -8.912  -0.758  -7.047
  537    H    MET 100           H        MET 100 -12.204   3.577  -4.393
  538    HA   MET 100           HA       MET 100 -14.251   2.752  -2.461
  539   1HB   MET 100          1HB       MET 100 -11.925   2.145  -1.921
  540   2HB   MET 100          2HB       MET 100 -11.463   3.839  -2.014
  541   1HG   MET 100          1HG       MET 100 -11.705   3.124   0.288
  542   2HG   MET 100          2HG       MET 100 -12.900   4.352  -0.122
  543   1HE   MET 100          1HE       MET 100 -13.134   2.571   2.485
  544   2HE   MET 100          2HE       MET 100 -14.846   2.148   2.451
  545   3HE   MET 100          3HE       MET 100 -14.333   3.779   2.020
  546    H    THR 101           H        THR 101 -15.471   4.253  -1.388
  547    HA   THR 101           HA       THR 101 -15.677   6.897  -2.298
  548    HB   THR 101           HB       THR 101 -16.212   5.969   0.367
  549    HG1  THR 101           HG1      THR 101 -17.539   5.558  -2.127
  550   1HG2  THR 101          1HG2      THR 101 -18.023   7.595   0.181
  551   2HG2  THR 101          2HG2      THR 101 -17.455   8.046  -1.428
  552   3HG2  THR 101          3HG2      THR 101 -16.448   8.366  -0.015
  553    HA   PRO 102           HA       PRO 102 -11.727   8.455  -1.236
  554   1HB   PRO 102          1HB       PRO 102 -13.363  10.900  -0.662
  555   2HB   PRO 102          2HB       PRO 102 -11.835  10.754  -1.539
  556   1HG   PRO 102          1HG       PRO 102 -14.144  10.955  -2.855
  557   2HG   PRO 102          2HG       PRO 102 -12.848   9.894  -3.436
  558   1HD   PRO 102          1HD       PRO 102 -15.437   9.195  -2.185
  559   2HD   PRO 102          2HD       PRO 102 -14.414   8.242  -3.278
  560    H    THR 103           H        THR 103 -11.450   7.208   0.662
  561    HA   THR 103           HA       THR 103 -11.791   8.809   3.111
  562    HB   THR 103           HB       THR 103 -10.917   6.547   3.914
  563    HG1  THR 103           HG1      THR 103 -12.669   6.040   1.714
  564   1HG2  THR 103          1HG2      THR 103 -12.779   7.830   4.799
  565   2HG2  THR 103          2HG2      THR 103 -13.240   6.148   4.535
  566   3HG2  THR 103          3HG2      THR 103 -13.759   7.393   3.399
  567    H    LYS 104           H        LYS 104  -9.907   8.666   4.653
  568    HA   LYS 104           HA       LYS 104  -7.435   8.516   3.071
  569   1HB   LYS 104          1HB       LYS 104  -6.480  10.221   4.608
  570   2HB   LYS 104          2HB       LYS 104  -7.801  10.809   3.611
  571   1HG   LYS 104          1HG       LYS 104  -9.277  10.904   5.427
  572   2HG   LYS 104          2HG       LYS 104  -8.246   9.877   6.428
  573   1HD   LYS 104          1HD       LYS 104  -8.185  12.305   7.030
  574   2HD   LYS 104          2HD       LYS 104  -6.610  11.610   6.646
  575   1HE   LYS 104          1HE       LYS 104  -6.857  12.509   4.334
  576   2HE   LYS 104          2HE       LYS 104  -8.330  13.322   4.859
  577   1HZ   LYS 104          1HZ       LYS 104  -7.094  14.634   6.390
  578   2HZ   LYS 104          2HZ       LYS 104  -6.308  14.735   4.886
  579   3HZ   LYS 104          3HZ       LYS 104  -5.673  13.746   6.111
  580    H    VAL 105           H        VAL 105  -5.618   7.687   3.952
  581    HA   VAL 105           HA       VAL 105  -5.862   6.392   6.576
  582    HB   VAL 105           HB       VAL 105  -4.535   4.681   5.761
  583   1HG1  VAL 105          1HG1      VAL 105  -6.948   4.452   6.037
  584   2HG1  VAL 105          2HG1      VAL 105  -6.387   3.547   4.632
  585   3HG1  VAL 105          3HG1      VAL 105  -7.203   5.095   4.414
  586   1HG2  VAL 105          1HG2      VAL 105  -3.555   5.772   3.835
  587   2HG2  VAL 105          2HG2      VAL 105  -5.144   5.898   3.080
  588   3HG2  VAL 105          3HG2      VAL 105  -4.420   4.313   3.355
  589    H    LYS 106           H        LYS 106  -3.714   5.806   7.482
  590    HA   LYS 106           HA       LYS 106  -1.625   7.642   6.522
  591   1HB   LYS 106          1HB       LYS 106  -2.557   7.962   8.894
  592   2HB   LYS 106          2HB       LYS 106  -1.730   6.461   9.293
  593   1HG   LYS 106          1HG       LYS 106   0.387   7.392   8.870
  594   2HG   LYS 106          2HG       LYS 106  -0.308   8.794   8.055
  595   1HD   LYS 106          1HD       LYS 106  -1.399   9.373  10.252
  596   2HD   LYS 106          2HD       LYS 106  -0.391   8.124  10.986
  597   1HE   LYS 106          1HE       LYS 106   1.608   9.276  10.343
  598   2HE   LYS 106          2HE       LYS 106   0.689  10.439   9.389
  599   1HZ   LYS 106          1HZ       LYS 106   0.682  10.141  12.340
  600   2HZ   LYS 106          2HZ       LYS 106  -0.394  11.138  11.489
  601   3HZ   LYS 106          3HZ       LYS 106   1.272  11.455  11.443
  602    H    VAL 107           H        VAL 107   0.054   6.712   5.617
  603    HA   VAL 107           HA       VAL 107   0.166   3.787   5.717
  604    HB   VAL 107           HB       VAL 107   1.086   5.729   3.807
  605   1HG1  VAL 107          1HG1      VAL 107   2.478   3.723   3.834
  606   2HG1  VAL 107          2HG1      VAL 107   1.459   3.770   2.395
  607   3HG1  VAL 107          3HG1      VAL 107   1.033   2.715   3.743
  608   1HG2  VAL 107          1HG2      VAL 107  -1.256   3.846   3.788
  609   2HG2  VAL 107          2HG2      VAL 107  -0.734   4.874   2.453
  610   3HG2  VAL 107          3HG2      VAL 107  -1.333   5.602   3.943
  611    H    HIS 108           H        HIS 108   1.669   3.256   7.200
  612    HA   HIS 108           HA       HIS 108   4.247   4.673   7.098
  613   1HB   HIS 108          1HB       HIS 108   2.878   4.287   9.303
  614   2HB   HIS 108          2HB       HIS 108   3.519   2.652   9.204
  615    HD1  HIS 108           HD1      HIS 108   4.826   3.150  11.445
  616    HD2  HIS 108           HD2      HIS 108   5.950   5.477   8.181
  617    HE1  HIS 108           HE1      HIS 108   6.987   4.257  12.107
  618    HE2  HIS 108           HE2      HIS 108   7.607   5.734  10.156
  619    H    MET 109           H        MET 109   5.459   3.757   5.607
  620    HA   MET 109           HA       MET 109   5.383   0.824   5.298
  621   1HB   MET 109          1HB       MET 109   6.181   1.209   2.996
  622   2HB   MET 109          2HB       MET 109   4.658   2.022   3.313
  623   1HG   MET 109          1HG       MET 109   5.816   3.596   2.111
  624   2HG   MET 109          2HG       MET 109   6.117   4.101   3.769
  625   1HE   MET 109          1HE       MET 109   7.552   2.412   0.570
  626   2HE   MET 109          2HE       MET 109   7.779   1.117   1.746
  627   3HE   MET 109          3HE       MET 109   9.179   1.950   1.071
  628    H    LYS 110           H        LYS 110   7.304  -0.380   5.290
  629    HA   LYS 110           HA       LYS 110   9.808   1.050   5.547
  630   1HB   LYS 110          1HB       LYS 110  10.423   0.080   7.695
  631   2HB   LYS 110          2HB       LYS 110   9.011   1.110   7.840
  632   1HG   LYS 110          1HG       LYS 110   7.588  -0.913   7.854
  633   2HG   LYS 110          2HG       LYS 110   9.057  -1.897   7.826
  634   1HD   LYS 110          1HD       LYS 110   9.797  -0.741   9.897
  635   2HD   LYS 110          2HD       LYS 110   8.236   0.078   9.950
  636   1HE   LYS 110          1HE       LYS 110   7.118  -2.109  10.087
  637   2HE   LYS 110          2HE       LYS 110   8.693  -2.902  10.081
  638   1HZ   LYS 110          1HZ       LYS 110   9.235  -1.683  12.127
  639   2HZ   LYS 110          2HZ       LYS 110   7.888  -2.696  12.324
  640   3HZ   LYS 110          3HZ       LYS 110   7.673  -1.023  12.145
  641    H    LYS 111           H        LYS 111  11.649  -0.308   5.475
  642    HA   LYS 111           HA       LYS 111  11.238  -2.348   3.514
  643   1HB   LYS 111          1HB       LYS 111  13.071  -0.849   3.210
  644   2HB   LYS 111          2HB       LYS 111  13.688  -1.164   4.826
  645   1HG   LYS 111          1HG       LYS 111  14.193  -3.483   4.136
  646   2HG   LYS 111          2HG       LYS 111  13.668  -3.068   2.505
  647   1HD   LYS 111          1HD       LYS 111  16.119  -2.968   2.767
  648   2HD   LYS 111          2HD       LYS 111  15.414  -1.418   2.310
  649   1HE   LYS 111          1HE       LYS 111  15.475  -0.744   4.696
  650   2HE   LYS 111          2HE       LYS 111  16.305  -2.257   5.065
  651   1HZ   LYS 111          1HZ       LYS 111  17.823  -0.356   4.796
  652   2HZ   LYS 111          2HZ       LYS 111  17.325  -0.196   3.183
  653   3HZ   LYS 111          3HZ       LYS 111  18.131  -1.602   3.686
  654    H    ALA 112           H        ALA 112  11.297  -4.480   3.704
  655    HA   ALA 112           HA       ALA 112  12.649  -5.668   6.030
  656   1HB   ALA 112          1HB       ALA 112  10.211  -5.905   6.298
  657   2HB   ALA 112          2HB       ALA 112  11.010  -7.461   6.077
  658   3HB   ALA 112          3HB       ALA 112  10.133  -6.724   4.738
  659    H    LEU 113           H        LEU 113  14.447  -6.527   5.214
  660    HA   LEU 113           HA       LEU 113  14.682  -7.103   2.415
  661   1HB   LEU 113          1HB       LEU 113  16.486  -6.161   3.937
  662   2HB   LEU 113          2HB       LEU 113  16.680  -7.787   4.563
  663    HG   LEU 113           HG       LEU 113  17.274  -8.574   2.299
  664   1HD1  LEU 113          1HD1      LEU 113  17.756  -6.929   0.549
  665   2HD1  LEU 113          2HD1      LEU 113  17.108  -5.653   1.580
  666   3HD1  LEU 113          3HD1      LEU 113  16.049  -6.935   0.994
  667   1HD2  LEU 113          1HD2      LEU 113  18.922  -6.248   3.278
  668   2HD2  LEU 113          2HD2      LEU 113  19.475  -7.529   2.200
  669   3HD2  LEU 113          3HD2      LEU 113  19.026  -7.909   3.862
  670    H    SER 114           H        SER 114  13.254  -8.816   4.766
  671    HA   SER 114           HA       SER 114  14.159 -11.408   4.694
  672   1HB   SER 114          1HB       SER 114  11.217 -10.797   4.587
  673   2HB   SER 114          2HB       SER 114  12.060 -12.021   5.537
  674    HG   SER 114           HG       SER 114  11.282  -9.993   6.623
  675    H    GLY 115           H        GLY 115  11.935  -9.816   2.418
  676   1HA   GLY 115          1HA       GLY 115  12.605 -11.893   0.447
  677   2HA   GLY 115          2HA       GLY 115  10.914 -11.556   0.789
  678    H    ASP 116           H        ASP 116  13.331  -9.054   0.788
  679    HA   ASP 116           HA       ASP 116  13.567  -7.150  -0.418
  680   1HB   ASP 116          1HB       ASP 116  13.041  -9.131  -2.629
  681   2HB   ASP 116          2HB       ASP 116  13.446  -7.448  -2.947
  682    H    SER 117           H        SER 117  11.411  -6.810   0.802
  683    HA   SER 117           HA       SER 117   9.789  -5.247  -0.895
  684   1HB   SER 117          1HB       SER 117   8.679  -7.350  -1.409
  685   2HB   SER 117          2HB       SER 117   8.568  -7.754   0.312
  686    HG   SER 117           HG       SER 117   7.161  -5.815  -1.167
  687    H    TYR 118           H        TYR 118   8.009  -4.176   0.514
  688    HA   TYR 118           HA       TYR 118   9.318  -3.603   3.084
  689   1HB   TYR 118          1HB       TYR 118   7.307  -1.851   1.663
  690   2HB   TYR 118          2HB       TYR 118   8.438  -1.401   2.935
  691    HD1  TYR 118           HD1      TYR 118   7.838  -1.301  -0.523
  692    HD2  TYR 118           HD2      TYR 118  10.963  -1.727   2.321
  693    HE1  TYR 118           HE1      TYR 118   9.465  -0.557  -2.208
  694    HE2  TYR 118           HE2      TYR 118  12.599  -0.982   0.648
  695    HH   TYR 118           HH       TYR 118  11.685   0.465  -2.287
  696    H    TRP 119           H        TRP 119   7.973  -3.238   4.897
  697    HA   TRP 119           HA       TRP 119   5.346  -4.522   4.745
  698   1HB   TRP 119          1HB       TRP 119   7.289  -4.013   6.979
  699   2HB   TRP 119          2HB       TRP 119   5.574  -4.216   7.347
  700    HD1  TRP 119           HD1      TRP 119   8.668  -6.169   6.792
  701    HE1  TRP 119           HE1      TRP 119   8.144  -8.687   6.659
  702    HE3  TRP 119           HE3      TRP 119   3.586  -5.901   6.349
  703    HZ2  TRP 119           HZ2      TRP 119   5.861 -10.337   6.392
  704    HZ3  TRP 119           HZ3      TRP 119   2.303  -7.992   6.157
  705    HH2  TRP 119           HH2      TRP 119   3.418 -10.162   6.178
  706    H    VAL 120           H        VAL 120   3.866  -3.092   4.196
  707    HA   VAL 120           HA       VAL 120   4.104  -0.388   5.282
  708    HB   VAL 120           HB       VAL 120   4.012  -0.460   3.084
  709   1HG1  VAL 120          1HG1      VAL 120   3.012  -2.647   2.722
  710   2HG1  VAL 120          2HG1      VAL 120   2.134  -1.396   1.839
  711   3HG1  VAL 120          3HG1      VAL 120   1.468  -2.054   3.334
  712   1HG2  VAL 120          1HG2      VAL 120   2.856   1.351   4.131
  713   2HG2  VAL 120          2HG2      VAL 120   1.391   0.381   4.268
  714   3HG2  VAL 120          3HG2      VAL 120   1.989   0.852   2.677
  715    H    PHE 121           H        PHE 121   2.887   0.231   6.860
  716    HA   PHE 121           HA       PHE 121   0.554  -1.394   7.573
  717   1HB   PHE 121          1HB       PHE 121   2.190   0.519   9.255
  718   2HB   PHE 121          2HB       PHE 121   0.800  -0.397   9.828
  719    HD1  PHE 121           HD1      PHE 121   4.322  -0.505   8.963
  720    HD2  PHE 121           HD2      PHE 121   0.939  -2.833  10.073
  721    HE1  PHE 121           HE1      PHE 121   5.806  -2.379   9.540
  722    HE2  PHE 121           HE2      PHE 121   2.418  -4.713  10.653
  723    HZ   PHE 121           HZ       PHE 121   4.844  -4.506  10.349
  724    H    VAL 122           H        VAL 122  -1.250  -0.625   6.856
  725    HA   VAL 122           HA       VAL 122  -1.558   2.275   6.476
  726    HB   VAL 122           HB       VAL 122  -3.111   0.059   5.495
  727   1HG1  VAL 122          1HG1      VAL 122  -4.344   2.159   5.657
  728   2HG1  VAL 122          2HG1      VAL 122  -3.987   1.764   3.976
  729   3HG1  VAL 122          3HG1      VAL 122  -3.041   2.994   4.812
  730   1HG2  VAL 122          1HG2      VAL 122  -0.951   1.683   4.180
  731   2HG2  VAL 122          2HG2      VAL 122  -1.971   0.476   3.396
  732   3HG2  VAL 122          3HG2      VAL 122  -0.832  -0.013   4.650
  733    H    LYS 123           H        LYS 123  -2.461   3.150   8.242
  734    HA   LYS 123           HA       LYS 123  -4.715   1.725   9.480
  735   1HB   LYS 123          1HB       LYS 123  -2.944   2.403  11.047
  736   2HB   LYS 123          2HB       LYS 123  -3.138   4.080  10.542
  737   1HG   LYS 123          1HG       LYS 123  -5.538   3.904  11.287
  738   2HG   LYS 123          2HG       LYS 123  -5.111   2.356  12.012
  739   1HD   LYS 123          1HD       LYS 123  -3.471   3.447  13.433
  740   2HD   LYS 123          2HD       LYS 123  -3.821   5.001  12.669
  741   1HE   LYS 123          1HE       LYS 123  -5.806   3.327  14.207
  742   2HE   LYS 123          2HE       LYS 123  -4.966   4.744  14.835
  743   1HZ   LYS 123          1HZ       LYS 123  -6.665   4.870  12.410
  744   2HZ   LYS 123          2HZ       LYS 123  -6.116   6.152  13.376
  745   3HZ   LYS 123          3HZ       LYS 123  -7.300   5.088  13.962
  746    H    ARG 124           H        ARG 124  -6.702   2.405   9.124
  747    HA   ARG 124           HA       ARG 124  -7.273   4.716   7.571
  748   1HB   ARG 124          1HB       ARG 124  -9.106   2.971   9.234
  749   2HB   ARG 124          2HB       ARG 124  -9.637   4.168   8.056
  750   1HG   ARG 124          1HG       ARG 124  -8.559   2.925   6.270
  751   2HG   ARG 124          2HG       ARG 124  -7.957   1.745   7.432
  752   1HD   ARG 124          1HD       ARG 124 -10.875   2.317   6.940
  753   2HD   ARG 124          2HD       ARG 124  -9.976   1.013   6.167
  754    HE   ARG 124           HE       ARG 124 -10.591   1.204   9.049
  755   1HH1  ARG 124          1HH1      ARG 124  -9.574  -0.661   6.253
  756   2HH1  ARG 124          2HH1      ARG 124  -9.787  -2.193   7.048
  757   1HH2  ARG 124          1HH2      ARG 124 -10.905  -0.812  10.078
  758   2HH2  ARG 124          2HH2      ARG 124 -10.548  -2.281   9.225
  759    H    VAL 125           H        VAL 125  -7.619   6.762   8.208
  760    HA   VAL 125           HA       VAL 125  -7.657   7.252  11.103
  761    HB   VAL 125           HB       VAL 125  -6.998   9.464  10.441
  762   1HG1  VAL 125          1HG1      VAL 125  -5.631   7.823  11.622
  763   2HG1  VAL 125          2HG1      VAL 125  -4.667   8.709  10.440
  764   3HG1  VAL 125          3HG1      VAL 125  -5.202   7.067  10.088
  765   1HG2  VAL 125          1HG2      VAL 125  -5.695   9.589   8.391
  766   2HG2  VAL 125          2HG2      VAL 125  -7.397   9.281   8.039
  767   3HG2  VAL 125          3HG2      VAL 125  -6.225   7.967   7.945
  768    H2   HC4 169           H2       HC4 169  -6.709   3.554  -3.866
  769    H3   HC4 169           H3       HC4 169  -7.999   1.686  -5.785
  770    H2'  HC4 169           H2'      HC4 169  -8.107  -0.679  -4.854
  771    H3'  HC4 169           H3'      HC4 169  -8.027  -2.235  -2.955
  772    H5'  HC4 169           H5'      HC4 169  -6.265   0.812  -0.563
  773    H6'  HC4 169           H6'      HC4 169  -6.526   2.408  -2.412
  Start of MODEL   19
    1    H    LEU  26           H        LEU  26  -9.334  -8.449  12.013
    2    HA   LEU  26           HA       LEU  26  -7.700  -6.823  12.597
    3   1HB   LEU  26          1HB       LEU  26  -8.316  -7.199   9.691
    4   2HB   LEU  26          2HB       LEU  26  -7.011  -6.137  10.153
    5    HG   LEU  26           HG       LEU  26  -6.152  -8.245   9.588
    6   1HD1  LEU  26          1HD1      LEU  26  -5.036  -7.075  11.397
    7   2HD1  LEU  26          2HD1      LEU  26  -4.932  -8.819  11.630
    8   3HD1  LEU  26          3HD1      LEU  26  -6.081  -7.872  12.574
    9   1HD2  LEU  26          1HD2      LEU  26  -7.975  -9.414  11.674
   10   2HD2  LEU  26          2HD2      LEU  26  -6.711 -10.297  10.820
   11   3HD2  LEU  26          3HD2      LEU  26  -8.087  -9.646   9.930
   12    H    ALA  27           H        ALA  27 -10.067  -5.472  10.332
   13    HA   ALA  27           HA       ALA  27 -10.951  -3.406  10.077
   14   1HB   ALA  27          1HB       ALA  27  -9.513  -2.594  12.596
   15   2HB   ALA  27          2HB       ALA  27 -11.109  -3.342  12.543
   16   3HB   ALA  27          3HB       ALA  27 -10.854  -1.753  11.819
   17    H    PHE  28           H        PHE  28  -7.639  -2.894  11.357
   18    HA   PHE  28           HA       PHE  28  -7.136  -0.887   9.343
   19   1HB   PHE  28          1HB       PHE  28  -4.941  -0.656  10.327
   20   2HB   PHE  28          2HB       PHE  28  -6.120  -0.760  11.626
   21    HD1  PHE  28           HD1      PHE  28  -3.295  -2.368   9.990
   22    HD2  PHE  28           HD2      PHE  28  -6.233  -2.742  13.045
   23    HE1  PHE  28           HE1      PHE  28  -2.011  -4.211  10.995
   24    HE2  PHE  28           HE2      PHE  28  -4.958  -4.586  14.053
   25    HZ   PHE  28           HZ       PHE  28  -2.812  -5.287  13.052
   26    H    GLY  29           H        GLY  29  -5.422  -1.067   7.739
   27   1HA   GLY  29          1HA       GLY  29  -5.480  -3.786   6.620
   28   2HA   GLY  29          2HA       GLY  29  -5.306  -2.306   5.690
   29    H    ALA  30           H        ALA  30  -3.675  -4.740   5.728
   30    HA   ALA  30           HA       ALA  30  -1.086  -3.453   6.185
   31   1HB   ALA  30          1HB       ALA  30  -0.160  -5.399   7.252
   32   2HB   ALA  30          2HB       ALA  30  -1.681  -6.271   7.072
   33   3HB   ALA  30          3HB       ALA  30  -1.585  -4.880   8.152
   34    H    ILE  31           H        ILE  31  -0.396  -3.313   4.161
   35    HA   ILE  31           HA       ILE  31  -0.660  -5.662   2.403
   36    HB   ILE  31           HB       ILE  31   0.096  -2.992   1.664
   37   1HG1  ILE  31          1HG1      ILE  31  -2.056  -2.864   2.846
   38   2HG1  ILE  31          2HG1      ILE  31  -2.226  -2.563   1.121
   39   1HG2  ILE  31          1HG2      ILE  31  -0.855  -3.774  -0.494
   40   2HG2  ILE  31          2HG2      ILE  31  -1.051  -5.375   0.218
   41   3HG2  ILE  31          3HG2      ILE  31   0.562  -4.687   0.024
   42   1HD1  ILE  31          1HD1      ILE  31  -2.881  -5.140   2.532
   43   2HD1  ILE  31          2HD1      ILE  31  -3.069  -4.829   0.806
   44   3HD1  ILE  31          3HD1      ILE  31  -4.041  -3.934   1.974
   45    H    GLN  32           H        GLN  32   1.273  -6.151   1.063
   46    HA   GLN  32           HA       GLN  32   3.736  -4.895   2.064
   47   1HB   GLN  32          1HB       GLN  32   3.465  -7.237   2.906
   48   2HB   GLN  32          2HB       GLN  32   3.484  -7.792   1.238
   49   1HG   GLN  32          1HG       GLN  32   5.728  -7.039   0.942
   50   2HG   GLN  32          2HG       GLN  32   5.719  -6.240   2.513
   51   1HE2  GLN  32          1HE2      GLN  32   7.439  -7.363   3.305
   52   2HE2  GLN  32          2HE2      GLN  32   7.379  -9.046   3.681
   53    H    LEU  33           H        LEU  33   4.725  -3.812   0.509
   54    HA   LEU  33           HA       LEU  33   4.329  -4.664  -2.289
   55   1HB   LEU  33          1HB       LEU  33   5.071  -1.876  -1.423
   56   2HB   LEU  33          2HB       LEU  33   4.547  -2.397  -3.008
   57    HG   LEU  33           HG       LEU  33   2.870  -2.056  -0.533
   58   1HD1  LEU  33          1HD1      LEU  33   3.351  -0.023  -1.740
   59   2HD1  LEU  33          2HD1      LEU  33   1.656  -0.467  -1.935
   60   3HD1  LEU  33          3HD1      LEU  33   2.802  -0.759  -3.244
   61   1HD2  LEU  33          1HD2      LEU  33   2.036  -3.197  -3.204
   62   2HD2  LEU  33          2HD2      LEU  33   0.963  -2.828  -1.854
   63   3HD2  LEU  33          3HD2      LEU  33   2.170  -4.104  -1.697
   64    H    ASP  34           H        ASP  34   6.189  -4.466  -3.697
   65    HA   ASP  34           HA       ASP  34   8.711  -4.148  -2.222
   66   1HB   ASP  34          1HB       ASP  34   9.857  -5.403  -3.950
   67   2HB   ASP  34          2HB       ASP  34   8.538  -6.343  -3.266
   68    H    GLY  35           H        GLY  35  10.538  -3.353  -3.759
   69   1HA   GLY  35          1HA       GLY  35  10.115  -0.640  -3.948
   70   2HA   GLY  35          2HA       GLY  35  11.445  -1.488  -4.707
   71    H    ASP  36           H        ASP  36   9.274  -2.970  -6.386
   72    HA   ASP  36           HA       ASP  36   9.289  -0.929  -8.469
   73   1HB   ASP  36          1HB       ASP  36   9.997  -3.314  -8.922
   74   2HB   ASP  36          2HB       ASP  36   8.306  -3.771  -8.720
   75    H    GLY  37           H        GLY  37   7.157  -2.297  -6.190
   76   1HA   GLY  37          1HA       GLY  37   5.086  -1.077  -5.792
   77   2HA   GLY  37          2HA       GLY  37   4.902  -0.947  -7.535
   78    H    ASN  38           H        ASN  38   6.085  -3.976  -6.791
   79    HA   ASN  38           HA       ASN  38   3.631  -5.261  -7.489
   80   1HB   ASN  38          1HB       ASN  38   6.191  -6.415  -6.372
   81   2HB   ASN  38          2HB       ASN  38   4.834  -7.372  -6.950
   82   1HD2  ASN  38          1HD2      ASN  38   7.634  -7.155  -7.777
   83   2HD2  ASN  38          2HD2      ASN  38   7.578  -6.848  -9.481
   84    H    ILE  39           H        ILE  39   2.295  -6.519  -6.235
   85    HA   ILE  39           HA       ILE  39   2.460  -6.074  -3.352
   86    HB   ILE  39           HB       ILE  39   0.489  -7.597  -4.767
   87   1HG1  ILE  39          1HG1      ILE  39   0.535  -4.618  -4.299
   88   2HG1  ILE  39          2HG1      ILE  39   0.734  -5.398  -5.865
   89   1HG2  ILE  39          1HG2      ILE  39   0.562  -7.747  -2.321
   90   2HG2  ILE  39          2HG2      ILE  39  -0.860  -6.850  -2.853
   91   3HG2  ILE  39          3HG2      ILE  39   0.536  -5.988  -2.206
   92   1HD1  ILE  39          1HD1      ILE  39  -1.510  -6.314  -5.703
   93   2HD1  ILE  39          2HD1      ILE  39  -1.525  -4.556  -5.557
   94   3HD1  ILE  39          3HD1      ILE  39  -1.711  -5.563  -4.120
   95    H    LEU  40           H        LEU  40   2.524  -7.790  -1.885
   96    HA   LEU  40           HA       LEU  40   3.391 -10.379  -2.999
   97   1HB   LEU  40          1HB       LEU  40   4.013  -9.043  -0.371
   98   2HB   LEU  40          2HB       LEU  40   4.397 -10.721  -0.703
   99    HG   LEU  40           HG       LEU  40   5.807  -9.906  -2.652
  100   1HD1  LEU  40          1HD1      LEU  40   4.778  -7.654  -2.765
  101   2HD1  LEU  40          2HD1      LEU  40   6.541  -7.622  -2.666
  102   3HD1  LEU  40          3HD1      LEU  40   5.573  -7.258  -1.237
  103   1HD2  LEU  40          1HD2      LEU  40   6.607  -9.104   0.145
  104   2HD2  LEU  40          2HD2      LEU  40   7.711  -9.334  -1.209
  105   3HD2  LEU  40          3HD2      LEU  40   6.798 -10.704  -0.576
  106    H    GLN  41           H        GLN  41   1.815  -8.955  -0.175
  107    HA   GLN  41           HA       GLN  41  -0.241 -10.977  -0.258
  108   1HB   GLN  41          1HB       GLN  41   0.126 -11.573   2.149
  109   2HB   GLN  41          2HB       GLN  41   1.362 -12.161   1.049
  110   1HG   GLN  41          1HG       GLN  41   2.845 -10.349   1.723
  111   2HG   GLN  41          2HG       GLN  41   1.599  -9.727   2.805
  112   1HE2  GLN  41          1HE2      GLN  41   4.324 -10.705   3.333
  113   2HE2  GLN  41          2HE2      GLN  41   4.141 -11.963   4.511
  114    H    TYR  42           H        TYR  42  -2.072 -10.388   0.669
  115    HA   TYR  42           HA       TYR  42  -2.276  -7.704   1.836
  116   1HB   TYR  42          1HB       TYR  42  -4.141  -9.521   0.394
  117   2HB   TYR  42          2HB       TYR  42  -4.833  -8.456   1.602
  118    HD1  TYR  42           HD1      TYR  42  -6.162  -7.367  -0.077
  119    HD2  TYR  42           HD2      TYR  42  -1.911  -7.339  -0.325
  120    HE1  TYR  42           HE1      TYR  42  -6.289  -5.557  -1.724
  121    HE2  TYR  42           HE2      TYR  42  -2.028  -5.523  -1.985
  122    HH   TYR  42           HH       TYR  42  -4.793  -3.712  -2.565
  123    H    ASN  43           H        ASN  43  -4.128  -7.603   3.542
  124    HA   ASN  43           HA       ASN  43  -3.645  -9.736   5.504
  125   1HB   ASN  43          1HB       ASN  43  -3.299  -7.172   5.976
  126   2HB   ASN  43          2HB       ASN  43  -5.052  -7.151   6.130
  127   1HD2  ASN  43          1HD2      ASN  43  -3.163  -6.539   8.158
  128   2HD2  ASN  43          2HD2      ASN  43  -3.375  -7.700   9.440
  129    H    ALA  44           H        ALA  44  -5.755  -9.861   7.016
  130    HA   ALA  44           HA       ALA  44  -7.877 -10.757   5.252
  131   1HB   ALA  44          1HB       ALA  44  -7.610 -10.932   8.251
  132   2HB   ALA  44          2HB       ALA  44  -7.179 -12.192   7.096
  133   3HB   ALA  44          3HB       ALA  44  -8.865 -11.707   7.285
  134    H    ALA  45           H        ALA  45  -7.146  -7.840   6.045
  135    HA   ALA  45           HA       ALA  45  -9.648  -6.941   7.232
  136   1HB   ALA  45          1HB       ALA  45  -8.617  -4.733   7.250
  137   2HB   ALA  45          2HB       ALA  45  -7.238  -5.359   6.344
  138   3HB   ALA  45          3HB       ALA  45  -7.551  -5.930   7.983
  139    H    GLU  46           H        GLU  46  -7.855  -6.675   4.190
  140    HA   GLU  46           HA       GLU  46  -9.603  -4.963   2.838
  141   1HB   GLU  46          1HB       GLU  46  -7.734  -7.120   1.869
  142   2HB   GLU  46          2HB       GLU  46  -8.670  -6.129   0.760
  143   1HG   GLU  46          1HG       GLU  46  -6.403  -5.294   1.002
  144   2HG   GLU  46          2HG       GLU  46  -7.582  -4.128   1.592
  145    HE2  GLU  46           HE2      GLU  46  -6.452  -2.928   3.340
  146    H    GLY  47           H        GLY  47  -9.415  -8.508   2.688
  147   1HA   GLY  47          1HA       GLY  47 -11.774  -8.926   1.238
  148   2HA   GLY  47          2HA       GLY  47 -11.003 -10.111   2.279
  149    H    ASP  48           H        ASP  48 -11.273  -8.423   4.660
  150    HA   ASP  48           HA       ASP  48 -13.762  -9.331   5.599
  151   1HB   ASP  48          1HB       ASP  48 -11.884  -8.880   7.091
  152   2HB   ASP  48          2HB       ASP  48 -11.950  -7.169   6.690
  153    H    ILE  49           H        ILE  49 -12.726  -6.308   4.182
  154    HA   ILE  49           HA       ILE  49 -15.251  -4.997   4.681
  155    HB   ILE  49           HB       ILE  49 -13.083  -4.335   2.920
  156   1HG1  ILE  49          1HG1      ILE  49 -13.691  -3.583   5.766
  157   2HG1  ILE  49          2HG1      ILE  49 -12.327  -4.528   5.179
  158   1HG2  ILE  49          1HG2      ILE  49 -14.076  -2.092   3.054
  159   2HG2  ILE  49          2HG2      ILE  49 -15.410  -2.748   4.002
  160   3HG2  ILE  49          3HG2      ILE  49 -15.192  -3.248   2.325
  161   1HD1  ILE  49          1HD1      ILE  49 -12.849  -1.632   4.576
  162   2HD1  ILE  49          2HD1      ILE  49 -11.498  -2.584   3.961
  163   3HD1  ILE  49          3HD1      ILE  49 -11.640  -2.270   5.691
  164    H    THR  50           H        THR  50 -13.480  -5.872   1.698
  165    HA   THR  50           HA       THR  50 -15.541  -7.230   0.461
  166    HB   THR  50           HB       THR  50 -16.651  -5.272   0.515
  167    HG1  THR  50           HG1      THR  50 -17.328  -6.071  -1.311
  168   1HG2  THR  50          1HG2      THR  50 -14.371  -4.116  -1.085
  169   2HG2  THR  50          2HG2      THR  50 -14.814  -3.671   0.562
  170   3HG2  THR  50          3HG2      THR  50 -15.920  -3.331  -0.769
  171    H    GLY  51           H        GLY  51 -14.684  -8.328  -1.164
  172   1HA   GLY  51          1HA       GLY  51 -13.240  -9.049  -2.757
  173   2HA   GLY  51          2HA       GLY  51 -13.038  -7.355  -3.175
  174    H    ARG  52           H        ARG  52 -10.924  -7.907  -3.682
  175    HA   ARG  52           HA       ARG  52  -8.676  -7.925  -3.369
  176   1HB   ARG  52          1HB       ARG  52  -9.418  -6.557  -0.775
  177   2HB   ARG  52          2HB       ARG  52  -7.808  -6.594  -1.481
  178   1HG   ARG  52          1HG       ARG  52  -8.295  -4.746  -2.591
  179   2HG   ARG  52          2HG       ARG  52  -9.523  -5.640  -3.490
  180   1HD   ARG  52          1HD       ARG  52 -10.699  -3.848  -2.581
  181   2HD   ARG  52          2HD       ARG  52 -11.046  -5.177  -1.476
  182    HE   ARG  52           HE       ARG  52  -8.832  -3.418  -0.771
  183   1HH1  ARG  52          1HH1      ARG  52 -12.154  -4.376  -0.250
  184   2HH1  ARG  52          2HH1      ARG  52 -12.332  -3.432   1.197
  185   1HH2  ARG  52          1HH2      ARG  52  -9.056  -2.175   1.143
  186   2HH2  ARG  52          2HH2      ARG  52 -10.568  -2.192   1.996
  187    H    ASP  53           H        ASP  53  -8.697 -10.240  -3.244
  188    HA   ASP  53           HA       ASP  53  -8.598 -11.525  -0.668
  189   1HB   ASP  53          1HB       ASP  53  -9.507 -12.713  -2.606
  190   2HB   ASP  53          2HB       ASP  53  -7.958 -12.584  -3.433
  191    HA   PRO  54           HA       PRO  54  -4.395 -10.744   0.375
  192   1HB   PRO  54          1HB       PRO  54  -3.904 -13.170   1.656
  193   2HB   PRO  54          2HB       PRO  54  -4.604 -11.730   2.400
  194   1HG   PRO  54          1HG       PRO  54  -5.964 -14.152   1.301
  195   2HG   PRO  54          2HG       PRO  54  -6.356 -13.202   2.747
  196   1HD   PRO  54          1HD       PRO  54  -7.788 -12.946   0.516
  197   2HD   PRO  54          2HD       PRO  54  -7.398 -11.527   1.512
  198    H    LYS  55           H        LYS  55  -5.187 -13.804  -1.216
  199    HA   LYS  55           HA       LYS  55  -2.363 -14.169  -1.937
  200   1HB   LYS  55          1HB       LYS  55  -4.737 -16.019  -2.194
  201   2HB   LYS  55          2HB       LYS  55  -3.119 -16.408  -2.752
  202   1HG   LYS  55          1HG       LYS  55  -2.299 -16.196  -0.436
  203   2HG   LYS  55          2HG       LYS  55  -3.960 -15.905   0.093
  204   1HD   LYS  55          1HD       LYS  55  -4.632 -18.085  -0.756
  205   2HD   LYS  55          2HD       LYS  55  -2.999 -18.374  -1.352
  206   1HE   LYS  55          1HE       LYS  55  -2.156 -18.266   0.953
  207   2HE   LYS  55          2HE       LYS  55  -3.804 -18.017   1.531
  208   1HZ   LYS  55          1HZ       LYS  55  -3.026 -20.348   1.688
  209   2HZ   LYS  55          2HZ       LYS  55  -2.926 -20.402  -0.006
  210   3HZ   LYS  55          3HZ       LYS  55  -4.428 -20.170   0.749
  211    H    GLN  56           H        GLN  56  -4.830 -12.515  -3.142
  212    HA   GLN  56           HA       GLN  56  -4.729 -13.463  -5.886
  213   1HB   GLN  56          1HB       GLN  56  -6.909 -13.068  -5.070
  214   2HB   GLN  56          2HB       GLN  56  -6.447 -11.544  -4.334
  215   1HG   GLN  56          1HG       GLN  56  -6.199 -10.558  -6.536
  216   2HG   GLN  56          2HG       GLN  56  -6.679 -12.084  -7.280
  217   1HE2  GLN  56          1HE2      GLN  56  -7.734  -9.321  -5.462
  218   2HE2  GLN  56          2HE2      GLN  56  -9.436  -9.583  -5.652
  219    H    VAL  57           H        VAL  57  -3.030 -11.329  -3.986
  220    HA   VAL  57           HA       VAL  57  -2.566  -9.462  -6.213
  221    HB   VAL  57           HB       VAL  57  -1.636  -8.087  -4.476
  222   1HG1  VAL  57          1HG1      VAL  57  -3.725  -7.691  -5.710
  223   2HG1  VAL  57          2HG1      VAL  57  -3.895  -7.243  -4.012
  224   3HG1  VAL  57          3HG1      VAL  57  -4.590  -8.754  -4.600
  225   1HG2  VAL  57          1HG2      VAL  57  -3.246 -10.027  -2.812
  226   2HG2  VAL  57          2HG2      VAL  57  -2.656  -8.456  -2.268
  227   3HG2  VAL  57          3HG2      VAL  57  -1.513  -9.728  -2.698
  228    H    ILE  58           H        ILE  58  -1.059 -11.572  -6.622
  229    HA   ILE  58           HA       ILE  58   1.568 -10.637  -5.684
  230    HB   ILE  58           HB       ILE  58   1.007 -13.297  -6.593
  231   1HG1  ILE  58          1HG1      ILE  58   1.003 -12.201  -3.779
  232   2HG1  ILE  58          2HG1      ILE  58  -0.384 -12.874  -4.631
  233   1HG2  ILE  58          1HG2      ILE  58   3.233 -12.005  -5.013
  234   2HG2  ILE  58          2HG2      ILE  58   3.324 -12.518  -6.698
  235   3HG2  ILE  58          3HG2      ILE  58   3.119 -13.717  -5.421
  236   1HD1  ILE  58          1HD1      ILE  58   0.510 -14.485  -3.079
  237   2HD1  ILE  58          2HD1      ILE  58   2.106 -14.353  -3.818
  238   3HD1  ILE  58          3HD1      ILE  58   0.765 -15.043  -4.732
  239    H    GLY  59           H        GLY  59   3.181 -10.373  -7.205
  240   1HA   GLY  59          1HA       GLY  59   4.097 -10.129  -9.314
  241   2HA   GLY  59          2HA       GLY  59   2.869 -11.236  -9.917
  242    H    LYS  60           H        LYS  60   1.558  -8.753  -8.116
  243    HA   LYS  60           HA       LYS  60   0.647  -7.446 -10.589
  244   1HB   LYS  60          1HB       LYS  60  -0.748  -8.153  -8.017
  245   2HB   LYS  60          2HB       LYS  60  -1.389  -6.923  -9.099
  246   1HG   LYS  60          1HG       LYS  60  -1.523  -8.567 -10.899
  247   2HG   LYS  60          2HG       LYS  60  -0.877  -9.798  -9.812
  248   1HD   LYS  60          1HD       LYS  60  -2.806  -9.568  -8.359
  249   2HD   LYS  60          2HD       LYS  60  -3.437  -8.266  -9.368
  250   1HE   LYS  60          1HE       LYS  60  -3.698  -9.802 -11.232
  251   2HE   LYS  60          2HE       LYS  60  -2.984 -11.106 -10.284
  252   1HZ   LYS  60          1HZ       LYS  60  -5.499  -9.687  -9.571
  253   2HZ   LYS  60          2HZ       LYS  60  -4.837 -11.038  -8.783
  254   3HZ   LYS  60          3HZ       LYS  60  -5.429 -11.187 -10.362
  255    H    ASN  61           H        ASN  61   0.668  -5.237 -10.674
  256    HA   ASN  61           HA       ASN  61   2.233  -3.901  -8.637
  257   1HB   ASN  61          1HB       ASN  61   2.518  -3.457 -11.096
  258   2HB   ASN  61          2HB       ASN  61   0.933  -2.691 -11.086
  259   1HD2  ASN  61          1HD2      ASN  61   4.261  -2.395 -10.247
  260   2HD2  ASN  61          2HD2      ASN  61   4.200  -0.743  -9.726
  261    H    PHE  62           H        PHE  62   1.296  -3.258  -6.852
  262    HA   PHE  62           HA       PHE  62  -1.336  -2.971  -6.217
  263   1HB   PHE  62          1HB       PHE  62   0.537  -2.859  -4.609
  264   2HB   PHE  62          2HB       PHE  62   0.939  -1.253  -5.198
  265    HD1  PHE  62           HD1      PHE  62  -0.077   0.641  -4.291
  266    HD2  PHE  62           HD2      PHE  62  -1.725  -3.205  -3.520
  267    HE1  PHE  62           HE1      PHE  62  -1.617   1.633  -2.648
  268    HE2  PHE  62           HE2      PHE  62  -3.266  -2.222  -1.874
  269    HZ   PHE  62           HZ       PHE  62  -3.152   0.205  -1.384
  270    H    PHE  63           H        PHE  63   0.761  -0.480  -7.602
  271    HA   PHE  63           HA       PHE  63  -1.252   1.567  -7.354
  272   1HB   PHE  63          1HB       PHE  63   1.382   1.667  -8.833
  273   2HB   PHE  63          2HB       PHE  63   0.412   3.039  -8.310
  274    HD1  PHE  63           HD1      PHE  63   2.785   0.473  -7.303
  275    HD2  PHE  63           HD2      PHE  63   0.318   3.667  -5.954
  276    HE1  PHE  63           HE1      PHE  63   4.031   0.533  -5.181
  277    HE2  PHE  63           HE2      PHE  63   1.561   3.732  -3.833
  278    HZ   PHE  63           HZ       PHE  63   3.421   2.166  -3.445
  279    H    LYS  64           H        LYS  64  -1.251  -0.925  -9.325
  280    HA   LYS  64           HA       LYS  64  -2.091   0.631 -11.676
  281   1HB   LYS  64          1HB       LYS  64   0.102  -0.668 -11.879
  282   2HB   LYS  64          2HB       LYS  64  -0.889  -2.114 -11.824
  283   1HG   LYS  64          1HG       LYS  64  -0.431  -1.616 -14.106
  284   2HG   LYS  64          2HG       LYS  64  -2.134  -1.266 -13.803
  285   1HD   LYS  64          1HD       LYS  64  -1.124   0.499 -15.141
  286   2HD   LYS  64          2HD       LYS  64  -1.590   1.114 -13.554
  287   1HE   LYS  64          1HE       LYS  64   0.748   0.822 -12.798
  288   2HE   LYS  64          2HE       LYS  64   1.184   0.311 -14.428
  289   1HZ   LYS  64          1HZ       LYS  64   0.416   2.487 -15.233
  290   2HZ   LYS  64          2HZ       LYS  64   1.708   2.616 -14.144
  291   3HZ   LYS  64          3HZ       LYS  64   0.128   2.973 -13.631
  292    H    ASP  65           H        ASP  65  -2.407  -2.498 -10.014
  293    HA   ASP  65           HA       ASP  65  -4.803  -3.104 -11.517
  294   1HB   ASP  65          1HB       ASP  65  -2.966  -4.615  -9.775
  295   2HB   ASP  65          2HB       ASP  65  -4.650  -5.125  -9.724
  296    H    VAL  66           H        VAL  66  -4.262  -3.483  -8.005
  297    HA   VAL  66           HA       VAL  66  -7.148  -3.131  -7.724
  298    HB   VAL  66           HB       VAL  66  -5.428  -3.785  -5.565
  299   1HG1  VAL  66          1HG1      VAL  66  -8.174  -4.635  -6.481
  300   2HG1  VAL  66          2HG1      VAL  66  -7.818  -3.470  -5.206
  301   3HG1  VAL  66          3HG1      VAL  66  -7.373  -5.164  -5.001
  302   1HG2  VAL  66          1HG2      VAL  66  -5.498  -6.129  -6.242
  303   2HG2  VAL  66          2HG2      VAL  66  -4.553  -5.150  -7.365
  304   3HG2  VAL  66          3HG2      VAL  66  -6.187  -5.658  -7.794
  305    H    ALA  67           H        ALA  67  -4.954  -0.962  -7.884
  306    HA   ALA  67           HA       ALA  67  -6.300   0.864  -6.157
  307   1HB   ALA  67          1HB       ALA  67  -3.445   0.181  -5.461
  308   2HB   ALA  67          2HB       ALA  67  -4.868  -0.195  -4.488
  309   3HB   ALA  67          3HB       ALA  67  -4.400   1.485  -4.752
  310    HA   PRO  68           HA       PRO  68  -4.112   2.611  -9.853
  311   1HB   PRO  68          1HB       PRO  68  -6.673   3.436 -10.892
  312   2HB   PRO  68          2HB       PRO  68  -5.546   2.259 -11.565
  313   1HG   PRO  68          1HG       PRO  68  -8.001   1.613 -10.530
  314   2HG   PRO  68          2HG       PRO  68  -6.631   0.491 -10.612
  315   1HD   PRO  68          1HD       PRO  68  -7.635   2.096  -8.290
  316   2HD   PRO  68          2HD       PRO  68  -7.032   0.424  -8.332
  317    H    CYS  69           H        CYS  69  -6.137   3.841  -7.394
  318    HA   CYS  69           HA       CYS  69  -5.898   6.583  -8.309
  319   1HB   CYS  69          1HB       CYS  69  -7.201   7.243  -6.482
  320   2HB   CYS  69          2HB       CYS  69  -7.859   5.671  -6.906
  321    H    THR  70           H        THR  70  -4.193   4.320  -6.522
  322    HA   THR  70           HA       THR  70  -3.140   5.993  -4.548
  323    HB   THR  70           HB       THR  70  -1.954   3.544  -5.412
  324    HG1  THR  70           HG1      THR  70  -3.830   2.790  -3.966
  325   1HG2  THR  70          1HG2      THR  70  -1.831   3.229  -3.001
  326   2HG2  THR  70          2HG2      THR  70  -2.621   4.787  -2.752
  327   3HG2  THR  70          3HG2      THR  70  -1.019   4.719  -3.489
  328    H    ASP  71           H        ASP  71  -1.892   4.855  -7.622
  329    HA   ASP  71           HA       ASP  71   0.799   5.652  -7.330
  330   1HB   ASP  71          1HB       ASP  71  -0.065   4.175  -9.136
  331   2HB   ASP  71          2HB       ASP  71  -0.855   5.568  -9.864
  332    H    SER  72           H        SER  72   1.406   7.641  -6.815
  333    HA   SER  72           HA       SER  72   0.623   9.945  -8.323
  334   1HB   SER  72          1HB       SER  72  -0.319   9.729  -5.441
  335   2HB   SER  72          2HB       SER  72  -0.359  11.201  -6.408
  336    HG   SER  72           HG       SER  72  -1.562   9.090  -7.661
  337    HA   PRO  73           HA       PRO  73   4.597  11.333  -6.868
  338   1HB   PRO  73          1HB       PRO  73   3.387  14.014  -6.443
  339   2HB   PRO  73          2HB       PRO  73   4.777  13.550  -7.431
  340   1HG   PRO  73          1HG       PRO  73   2.447  14.183  -8.567
  341   2HG   PRO  73          2HG       PRO  73   3.452  12.872  -9.212
  342   1HD   PRO  73          1HD       PRO  73   0.979  12.718  -7.538
  343   2HD   PRO  73          2HD       PRO  73   1.482  11.699  -8.902
  344    H    GLU  74           H        GLU  74   1.734  12.233  -5.052
  345    HA   GLU  74           HA       GLU  74   3.184  12.941  -2.680
  346   1HB   GLU  74          1HB       GLU  74   0.884  13.147  -1.692
  347   2HB   GLU  74          2HB       GLU  74   1.188  14.152  -3.104
  348   1HG   GLU  74          1HG       GLU  74   0.046  12.406  -4.485
  349   2HG   GLU  74          2HG       GLU  74  -0.393  11.596  -2.983
  350    H    PHE  75           H        PHE  75   2.259   9.975  -3.979
  351    HA   PHE  75           HA       PHE  75   2.514   8.753  -1.316
  352   1HB   PHE  75          1HB       PHE  75   0.141   8.649  -2.055
  353   2HB   PHE  75          2HB       PHE  75   0.652   7.741  -3.476
  354    HD1  PHE  75           HD1      PHE  75   1.271   5.440  -3.322
  355    HD2  PHE  75           HD2      PHE  75   0.253   7.642   0.175
  356    HE1  PHE  75           HE1      PHE  75   1.088   3.339  -2.056
  357    HE2  PHE  75           HE2      PHE  75   0.073   5.544   1.445
  358    HZ   PHE  75           HZ       PHE  75   0.535   3.406   0.368
  359    H    TYR  76           H        TYR  76   2.254   7.606  -4.675
  360    HA   TYR  76           HA       TYR  76   4.077   5.513  -4.457
  361   1HB   TYR  76          1HB       TYR  76   2.548   5.682  -6.342
  362   2HB   TYR  76          2HB       TYR  76   3.320   7.168  -6.880
  363    HD1  TYR  76           HD1      TYR  76   4.984   7.060  -8.502
  364    HD2  TYR  76           HD2      TYR  76   4.077   3.573  -6.242
  365    HE1  TYR  76           HE1      TYR  76   6.509   5.751  -9.923
  366    HE2  TYR  76           HE2      TYR  76   5.595   2.253  -7.652
  367    HH   TYR  76           HH       TYR  76   7.858   3.590  -9.699
  368    H    GLY  77           H        GLY  77   4.574   8.894  -5.394
  369   1HA   GLY  77          1HA       GLY  77   7.304   8.751  -6.011
  370   2HA   GLY  77          2HA       GLY  77   6.469  10.186  -5.436
  371    H    LYS  78           H        LYS  78   5.678   9.023  -2.905
  372    HA   LYS  78           HA       LYS  78   8.120   9.505  -1.463
  373   1HB   LYS  78          1HB       LYS  78   5.382   8.733  -0.432
  374   2HB   LYS  78          2HB       LYS  78   6.720   9.330   0.542
  375   1HG   LYS  78          1HG       LYS  78   5.300  10.865  -1.627
  376   2HG   LYS  78          2HG       LYS  78   5.081  11.078   0.112
  377   1HD   LYS  78          1HD       LYS  78   7.314  11.863   0.376
  378   2HD   LYS  78          2HD       LYS  78   7.736  11.399  -1.272
  379   1HE   LYS  78          1HE       LYS  78   6.221  13.083  -2.153
  380   2HE   LYS  78          2HE       LYS  78   5.722  13.515  -0.518
  381   1HZ   LYS  78          1HZ       LYS  78   7.847  14.387  -0.049
  382   2HZ   LYS  78          2HZ       LYS  78   7.437  14.998  -1.577
  383   3HZ   LYS  78          3HZ       LYS  78   8.534  13.714  -1.444
  384    H    PHE  79           H        PHE  79   5.989   6.780  -2.090
  385    HA   PHE  79           HA       PHE  79   7.290   4.790  -0.622
  386   1HB   PHE  79          1HB       PHE  79   5.152   4.400  -1.730
  387   2HB   PHE  79          2HB       PHE  79   5.885   4.657  -3.307
  388    HD1  PHE  79           HD1      PHE  79   5.250   2.317  -0.643
  389    HD2  PHE  79           HD2      PHE  79   7.486   2.960  -4.215
  390    HE1  PHE  79           HE1      PHE  79   5.687  -0.095  -0.810
  391    HE2  PHE  79           HE2      PHE  79   7.907   0.558  -4.384
  392    HZ   PHE  79           HZ       PHE  79   7.061  -0.957  -2.705
  393    H    LYS  80           H        LYS  80   7.923   6.090  -3.829
  394    HA   LYS  80           HA       LYS  80  10.075   4.280  -4.383
  395   1HB   LYS  80          1HB       LYS  80   9.180   6.808  -5.766
  396   2HB   LYS  80          2HB       LYS  80  10.466   5.764  -6.358
  397   1HG   LYS  80          1HG       LYS  80   7.617   4.908  -5.918
  398   2HG   LYS  80          2HG       LYS  80   8.310   5.371  -7.471
  399   1HD   LYS  80          1HD       LYS  80   9.341   3.117  -5.752
  400   2HD   LYS  80          2HD       LYS  80   8.218   2.909  -7.102
  401   1HE   LYS  80          1HE       LYS  80   9.938   4.023  -8.563
  402   2HE   LYS  80          2HE       LYS  80  11.050   3.933  -7.199
  403   1HZ   LYS  80          1HZ       LYS  80  10.497   1.448  -7.232
  404   2HZ   LYS  80          2HZ       LYS  80  11.533   2.051  -8.427
  405   3HZ   LYS  80          3HZ       LYS  80   9.911   1.729  -8.799
  406    H    GLU  81           H        GLU  81   9.834   7.207  -2.649
  407    HA   GLU  81           HA       GLU  81  12.400   8.283  -3.239
  408   1HB   GLU  81          1HB       GLU  81  10.341   9.451  -2.198
  409   2HB   GLU  81          2HB       GLU  81  10.897   8.774  -0.676
  410   1HG   GLU  81          1HG       GLU  81  12.955  10.195  -2.199
  411   2HG   GLU  81          2HG       GLU  81  11.606  11.194  -1.666
  412    H    GLY  82           H        GLY  82  11.149   6.088  -0.788
  413   1HA   GLY  82          1HA       GLY  82  13.591   5.934   0.704
  414   2HA   GLY  82          2HA       GLY  82  12.225   4.830   0.826
  415    H    VAL  83           H        VAL  83  12.017   3.840  -1.667
  416    HA   VAL  83           HA       VAL  83  13.832   1.793  -1.923
  417    HB   VAL  83           HB       VAL  83  12.604   3.213  -4.099
  418   1HG1  VAL  83          1HG1      VAL  83  12.584   0.963  -5.091
  419   2HG1  VAL  83          2HG1      VAL  83  13.486   0.356  -3.703
  420   3HG1  VAL  83          3HG1      VAL  83  14.220   1.541  -4.783
  421   1HG2  VAL  83          1HG2      VAL  83  10.705   1.749  -3.747
  422   2HG2  VAL  83          2HG2      VAL  83  10.964   2.808  -2.361
  423   3HG2  VAL  83          3HG2      VAL  83  11.454   1.115  -2.283
  424    H    ALA  84           H        ALA  84  13.894   4.948  -3.537
  425    HA   ALA  84           HA       ALA  84  16.062   4.439  -5.245
  426   1HB   ALA  84          1HB       ALA  84  16.153   6.862  -5.546
  427   2HB   ALA  84          2HB       ALA  84  15.082   7.074  -4.161
  428   3HB   ALA  84          3HB       ALA  84  14.496   6.260  -5.611
  429    H    SER  85           H        SER  85  15.997   5.129  -1.876
  430    HA   SER  85           HA       SER  85  18.831   5.835  -1.892
  431   1HB   SER  85          1HB       SER  85  17.281   7.250  -0.563
  432   2HB   SER  85          2HB       SER  85  16.931   5.844   0.430
  433    HG   SER  85           HG       SER  85  19.570   6.779   0.043
  434    H    GLY  86           H        GLY  86  16.973   4.003   0.497
  435   1HA   GLY  86          1HA       GLY  86  18.309   1.536   0.020
  436   2HA   GLY  86          2HA       GLY  86  19.074   2.408   1.344
  437    H    ASN  87           H        ASN  87  17.306   3.418   2.841
  438    HA   ASN  87           HA       ASN  87  15.668   1.159   3.733
  439   1HB   ASN  87          1HB       ASN  87  16.409   3.701   5.212
  440   2HB   ASN  87          2HB       ASN  87  15.566   2.314   5.891
  441   1HD2  ASN  87          1HD2      ASN  87  18.596   3.606   4.856
  442   2HD2  ASN  87          2HD2      ASN  87  19.595   2.362   5.527
  443    H    LEU  88           H        LEU  88  13.498   1.250   3.660
  444    HA   LEU  88           HA       LEU  88  12.292   3.835   2.995
  445   1HB   LEU  88          1HB       LEU  88  12.207   1.764   1.353
  446   2HB   LEU  88          2HB       LEU  88  10.913   1.254   2.414
  447    HG   LEU  88           HG       LEU  88  11.008   3.698   0.655
  448   1HD1  LEU  88          1HD1      LEU  88   8.975   2.726  -0.278
  449   2HD1  LEU  88          2HD1      LEU  88   9.112   1.366   0.837
  450   3HD1  LEU  88          3HD1      LEU  88  10.343   1.621  -0.402
  451   1HD2  LEU  88          1HD2      LEU  88   8.851   4.361   1.562
  452   2HD2  LEU  88          2HD2      LEU  88  10.084   4.368   2.824
  453   3HD2  LEU  88          3HD2      LEU  88   8.921   3.045   2.734
  454    H    ASN  89           H        ASN  89  11.666   4.550   4.974
  455    HA   ASN  89           HA       ASN  89   9.398   3.122   6.033
  456   1HB   ASN  89          1HB       ASN  89  10.089   3.207   8.350
  457   2HB   ASN  89          2HB       ASN  89  11.217   2.250   7.413
  458   1HD2  ASN  89          1HD2      ASN  89  11.439   3.660   9.989
  459   2HD2  ASN  89          2HD2      ASN  89  12.840   4.668   9.839
  460    H    THR  90           H        THR  90   8.053   4.638   5.399
  461    HA   THR  90           HA       THR  90   8.154   7.183   6.826
  462    HB   THR  90           HB       THR  90   7.595   6.940   4.013
  463    HG1  THR  90           HG1      THR  90   9.939   7.047   5.421
  464   1HG2  THR  90          1HG2      THR  90   8.004   9.292   5.855
  465   2HG2  THR  90          2HG2      THR  90   6.483   8.808   5.102
  466   3HG2  THR  90          3HG2      THR  90   7.819   9.378   4.103
  467    H    MET  91           H        MET  91   6.130   8.010   7.294
  468    HA   MET  91           HA       MET  91   3.843   6.495   6.240
  469   1HB   MET  91          1HB       MET  91   2.635   7.003   8.333
  470   2HB   MET  91          2HB       MET  91   4.063   6.020   8.608
  471   1HG   MET  91          1HG       MET  91   3.978   8.999   9.023
  472   2HG   MET  91          2HG       MET  91   3.662   7.819  10.293
  473   1HE   MET  91          1HE       MET  91   7.191   9.196  11.259
  474   2HE   MET  91          2HE       MET  91   5.552   8.870  11.824
  475   3HE   MET  91          3HE       MET  91   5.830  10.089  10.580
  476    H    PHE  92           H        PHE  92   2.645   7.642   4.924
  477    HA   PHE  92           HA       PHE  92   2.465  10.556   5.361
  478   1HB   PHE  92          1HB       PHE  92   3.755   9.868   3.287
  479   2HB   PHE  92          2HB       PHE  92   2.259   9.161   2.693
  480    HD1  PHE  92           HD1      PHE  92   0.612  10.467   1.656
  481    HD2  PHE  92           HD2      PHE  92   3.840  12.341   3.697
  482    HE1  PHE  92           HE1      PHE  92  -0.055  12.637   0.710
  483    HE2  PHE  92           HE2      PHE  92   3.179  14.513   2.753
  484    HZ   PHE  92           HZ       PHE  92   1.228  14.664   1.259
  485    H    GLU  93           H        GLU  93   0.406  11.487   4.762
  486    HA   GLU  93           HA       GLU  93  -1.735   9.527   5.149
  487   1HB   GLU  93          1HB       GLU  93  -3.085  11.601   5.803
  488   2HB   GLU  93          2HB       GLU  93  -1.840  11.052   6.916
  489   1HG   GLU  93          1HG       GLU  93  -0.321  12.770   6.027
  490   2HG   GLU  93          2HG       GLU  93  -1.616  13.343   4.975
  491    H    TYR  94           H        TYR  94  -2.533   8.896   3.330
  492    HA   TYR  94           HA       TYR  94  -2.828  10.817   1.124
  493   1HB   TYR  94          1HB       TYR  94  -1.216   8.960   0.742
  494   2HB   TYR  94          2HB       TYR  94  -2.516   7.804   1.003
  495    HD1  TYR  94           HD1      TYR  94  -3.535   6.922  -0.864
  496    HD2  TYR  94           HD2      TYR  94  -1.775  10.784  -1.138
  497    HE1  TYR  94           HE1      TYR  94  -4.077   6.994  -3.262
  498    HE2  TYR  94           HE2      TYR  94  -2.316  10.866  -3.534
  499    HH   TYR  94           HH       TYR  94  -4.446   8.747  -5.028
  500    H    THR  95           H        THR  95  -4.665  10.374  -0.333
  501    HA   THR  95           HA       THR  95  -7.011   9.610   1.250
  502    HB   THR  95           HB       THR  95  -6.875  11.041  -1.233
  503    HG1  THR  95           HG1      THR  95  -5.692  12.154   0.378
  504   1HG2  THR  95          1HG2      THR  95  -9.061  11.827  -0.517
  505   2HG2  THR  95          2HG2      THR  95  -8.960  10.819   0.926
  506   3HG2  THR  95          3HG2      THR  95  -9.042  10.071  -0.667
  507    H    PHE  96           H        PHE  96  -8.127   7.853   0.723
  508    HA   PHE  96           HA       PHE  96  -7.688   6.599  -1.910
  509   1HB   PHE  96          1HB       PHE  96  -8.877   5.482   0.643
  510   2HB   PHE  96          2HB       PHE  96  -8.787   4.607  -0.881
  511    HD1  PHE  96           HD1      PHE  96  -6.144   5.172  -1.873
  512    HD2  PHE  96           HD2      PHE  96  -7.430   4.487   2.124
  513    HE1  PHE  96           HE1      PHE  96  -3.891   4.374  -1.291
  514    HE2  PHE  96           HE2      PHE  96  -5.178   3.690   2.714
  515    HZ   PHE  96           HZ       PHE  96  -3.405   3.632   1.005
  516    H    ASP  97           H        ASP  97  -9.078   7.408  -3.323
  517    HA   ASP  97           HA       ASP  97 -11.863   7.878  -2.475
  518   1HB   ASP  97          1HB       ASP  97 -11.884   9.754  -4.126
  519   2HB   ASP  97          2HB       ASP  97 -10.786  10.007  -2.773
  520    H    TYR  98           H        TYR  98 -10.186   5.778  -4.155
  521    HA   TYR  98           HA       TYR  98 -11.525   5.874  -6.701
  522   1HB   TYR  98          1HB       TYR  98  -9.221   5.008  -6.451
  523   2HB   TYR  98          2HB       TYR  98  -9.842   3.675  -5.488
  524    HD1  TYR  98           HD1      TYR  98 -10.364   1.682  -6.528
  525    HD2  TYR  98           HD2      TYR  98 -10.234   5.244  -8.847
  526    HE1  TYR  98           HE1      TYR  98 -10.715   0.358  -8.568
  527    HE2  TYR  98           HE2      TYR  98 -10.577   3.930 -10.897
  528    HH   TYR  98           HH       TYR  98 -10.138   1.495 -11.613
  529    H    GLN  99           H        GLN  99 -11.316   2.968  -4.696
  530    HA   GLN  99           HA       GLN  99 -14.114   2.422  -5.242
  531   1HB   GLN  99          1HB       GLN  99 -13.659   0.251  -4.095
  532   2HB   GLN  99          2HB       GLN  99 -12.640   0.549  -5.494
  533   1HG   GLN  99          1HG       GLN  99 -10.772   1.090  -4.101
  534   2HG   GLN  99          2HG       GLN  99 -11.781   1.031  -2.653
  535   1HE2  GLN  99          1HE2      GLN  99 -10.172  -0.826  -5.101
  536   2HE2  GLN  99          2HE2      GLN  99 -10.336  -2.367  -4.336
  537    H    MET 100           H        MET 100 -12.009   3.103  -2.518
  538    HA   MET 100           HA       MET 100 -14.186   3.228  -0.625
  539   1HB   MET 100          1HB       MET 100 -11.835   2.584  -0.005
  540   2HB   MET 100          2HB       MET 100 -11.351   4.239  -0.342
  541   1HG   MET 100          1HG       MET 100 -12.839   5.037   1.418
  542   2HG   MET 100          2HG       MET 100 -13.335   3.380   1.752
  543   1HE   MET 100          1HE       MET 100 -12.355   5.141   4.111
  544   2HE   MET 100          2HE       MET 100 -11.221   4.058   4.918
  545   3HE   MET 100          3HE       MET 100 -12.734   3.424   4.268
  546    H    THR 101           H        THR 101 -15.272   5.075  -0.008
  547    HA   THR 101           HA       THR 101 -15.146   7.397  -1.584
  548    HB   THR 101           HB       THR 101 -16.015   8.326   0.591
  549    HG1  THR 101           HG1      THR 101 -15.887   6.625   1.942
  550   1HG2  THR 101          1HG2      THR 101 -18.208   7.662  -0.237
  551   2HG2  THR 101          2HG2      THR 101 -17.449   6.482  -1.306
  552   3HG2  THR 101          3HG2      THR 101 -17.164   8.206  -1.548
  553    HA   PRO 102           HA       PRO 102 -11.490   9.513  -0.625
  554   1HB   PRO 102          1HB       PRO 102 -13.260  11.808   0.106
  555   2HB   PRO 102          2HB       PRO 102 -11.825  11.777  -0.925
  556   1HG   PRO 102          1HG       PRO 102 -14.285  11.816  -1.974
  557   2HG   PRO 102          2HG       PRO 102 -12.968  10.899  -2.724
  558   1HD   PRO 102          1HD       PRO 102 -15.336   9.921  -1.248
  559   2HD   PRO 102          2HD       PRO 102 -14.348   9.104  -2.471
  560    H    THR 103           H        THR 103 -11.065   8.221   1.270
  561    HA   THR 103           HA       THR 103 -11.516   9.695   3.780
  562    HB   THR 103           HB       THR 103 -10.444   7.058   3.403
  563    HG1  THR 103           HG1      THR 103 -12.590   7.360   2.494
  564   1HG2  THR 103          1HG2      THR 103 -11.187   6.786   5.702
  565   2HG2  THR 103          2HG2      THR 103 -11.727   8.464   5.740
  566   3HG2  THR 103          3HG2      THR 103 -10.010   8.092   5.574
  567    H    LYS 104           H        LYS 104  -9.794  10.251   5.110
  568    HA   LYS 104           HA       LYS 104  -7.162  10.276   3.810
  569   1HB   LYS 104          1HB       LYS 104  -8.524  12.047   5.798
  570   2HB   LYS 104          2HB       LYS 104  -6.769  11.972   5.793
  571   1HG   LYS 104          1HG       LYS 104  -8.205  12.478   3.234
  572   2HG   LYS 104          2HG       LYS 104  -8.039  13.784   4.409
  573   1HD   LYS 104          1HD       LYS 104  -5.751  12.161   3.291
  574   2HD   LYS 104          2HD       LYS 104  -6.221  13.769   2.731
  575   1HE   LYS 104          1HE       LYS 104  -5.829  14.633   5.019
  576   2HE   LYS 104          2HE       LYS 104  -5.268  13.033   5.500
  577   1HZ   LYS 104          1HZ       LYS 104  -3.494  13.231   3.836
  578   2HZ   LYS 104          2HZ       LYS 104  -3.411  14.453   5.007
  579   3HZ   LYS 104          3HZ       LYS 104  -4.016  14.798   3.464
  580    H    VAL 105           H        VAL 105  -6.077   8.524   4.379
  581    HA   VAL 105           HA       VAL 105  -5.885   7.889   7.253
  582    HB   VAL 105           HB       VAL 105  -5.206   5.787   6.614
  583   1HG1  VAL 105          1HG1      VAL 105  -7.508   6.312   7.268
  584   2HG1  VAL 105          2HG1      VAL 105  -7.453   5.027   6.062
  585   3HG1  VAL 105          3HG1      VAL 105  -7.902   6.666   5.585
  586   1HG2  VAL 105          1HG2      VAL 105  -5.642   5.010   4.348
  587   2HG2  VAL 105          2HG2      VAL 105  -4.390   6.252   4.376
  588   3HG2  VAL 105          3HG2      VAL 105  -6.025   6.659   3.854
  589    H    LYS 106           H        LYS 106  -3.739   6.869   7.827
  590    HA   LYS 106           HA       LYS 106  -1.615   8.182   6.283
  591   1HB   LYS 106          1HB       LYS 106  -1.912   9.010   8.636
  592   2HB   LYS 106          2HB       LYS 106  -1.508   7.394   9.201
  593   1HG   LYS 106          1HG       LYS 106   0.703   7.553   8.397
  594   2HG   LYS 106          2HG       LYS 106   0.333   8.988   7.442
  595   1HD   LYS 106          1HD       LYS 106   0.290   8.846  10.458
  596   2HD   LYS 106          2HD       LYS 106   1.608   9.509   9.488
  597   1HE   LYS 106          1HE       LYS 106   0.010  11.151   8.534
  598   2HE   LYS 106          2HE       LYS 106  -1.226  10.529   9.627
  599   1HZ   LYS 106          1HZ       LYS 106   0.269  11.139  11.489
  600   2HZ   LYS 106          2HZ       LYS 106  -0.267  12.470  10.590
  601   3HZ   LYS 106          3HZ       LYS 106   1.309  11.881  10.376
  602    H    VAL 107           H        VAL 107  -0.276   6.893   5.269
  603    HA   VAL 107           HA       VAL 107  -0.568   4.025   5.758
  604    HB   VAL 107           HB       VAL 107   0.274   5.503   3.443
  605   1HG1  VAL 107          1HG1      VAL 107  -0.319   2.591   3.923
  606   2HG1  VAL 107          2HG1      VAL 107   1.254   3.291   3.540
  607   3HG1  VAL 107          3HG1      VAL 107  -0.042   3.326   2.345
  608   1HG2  VAL 107          1HG2      VAL 107  -2.052   5.920   3.971
  609   2HG2  VAL 107          2HG2      VAL 107  -2.340   4.185   4.108
  610   3HG2  VAL 107          3HG2      VAL 107  -1.897   4.885   2.550
  611    H    HIS 108           H        HIS 108   1.185   2.912   6.326
  612    HA   HIS 108           HA       HIS 108   3.698   4.435   6.477
  613   1HB   HIS 108          1HB       HIS 108   2.397   3.563   8.594
  614   2HB   HIS 108          2HB       HIS 108   3.156   2.031   8.176
  615    HD1  HIS 108           HD1      HIS 108   3.702   4.104  10.664
  616    HD2  HIS 108           HD2      HIS 108   6.147   3.289   7.400
  617    HE1  HIS 108           HE1      HIS 108   6.031   4.708  11.394
  618    HE2  HIS 108           HE2      HIS 108   7.436   4.466   9.319
  619    H    MET 109           H        MET 109   5.073   3.830   4.981
  620    HA   MET 109           HA       MET 109   5.187   1.005   4.146
  621   1HB   MET 109          1HB       MET 109   6.505   3.470   2.969
  622   2HB   MET 109          2HB       MET 109   6.693   1.844   2.338
  623   1HG   MET 109          1HG       MET 109   5.147   2.947   0.945
  624   2HG   MET 109          2HG       MET 109   4.218   1.817   1.932
  625   1HE   MET 109          1HE       MET 109   4.314   6.395   2.543
  626   2HE   MET 109          2HE       MET 109   5.102   5.557   1.206
  627   3HE   MET 109          3HE       MET 109   5.711   5.363   2.849
  628    H    LYS 110           H        LYS 110   6.703  -0.264   5.123
  629    HA   LYS 110           HA       LYS 110   9.283   0.938   5.749
  630   1HB   LYS 110          1HB       LYS 110   9.325  -0.019   8.019
  631   2HB   LYS 110          2HB       LYS 110   8.104   1.225   7.818
  632   1HG   LYS 110          1HG       LYS 110   6.402  -0.568   7.565
  633   2HG   LYS 110          2HG       LYS 110   7.661  -1.749   7.947
  634   1HD   LYS 110          1HD       LYS 110   8.059  -0.534  10.082
  635   2HD   LYS 110          2HD       LYS 110   6.685   0.504   9.704
  636   1HE   LYS 110          1HE       LYS 110   5.238  -1.495   9.652
  637   2HE   LYS 110          2HE       LYS 110   6.623  -2.483  10.118
  638   1HZ   LYS 110          1HZ       LYS 110   5.358  -1.975  12.061
  639   2HZ   LYS 110          2HZ       LYS 110   5.362  -0.318  11.713
  640   3HZ   LYS 110          3HZ       LYS 110   6.807  -1.096  12.144
  641    H    LYS 111           H        LYS 111  10.864  -0.239   5.160
  642    HA   LYS 111           HA       LYS 111  10.696  -2.636   3.753
  643   1HB   LYS 111          1HB       LYS 111  12.561  -0.730   4.079
  644   2HB   LYS 111          2HB       LYS 111  13.232  -1.949   5.148
  645   1HG   LYS 111          1HG       LYS 111  13.215  -3.548   3.253
  646   2HG   LYS 111          2HG       LYS 111  12.663  -2.226   2.212
  647   1HD   LYS 111          1HD       LYS 111  14.676  -0.941   2.844
  648   2HD   LYS 111          2HD       LYS 111  15.244  -2.333   3.766
  649   1HE   LYS 111          1HE       LYS 111  15.284  -3.670   1.720
  650   2HE   LYS 111          2HE       LYS 111  14.703  -2.284   0.800
  651   1HZ   LYS 111          1HZ       LYS 111  17.071  -2.472   0.563
  652   2HZ   LYS 111          2HZ       LYS 111  17.290  -2.486   2.244
  653   3HZ   LYS 111          3HZ       LYS 111  16.725  -1.085   1.475
  654    H    ALA 112           H        ALA 112  10.591  -4.760   4.389
  655    HA   ALA 112           HA       ALA 112  11.875  -5.769   6.692
  656   1HB   ALA 112          1HB       ALA 112   8.914  -5.336   7.058
  657   2HB   ALA 112          2HB       ALA 112  10.198  -4.474   7.906
  658   3HB   ALA 112          3HB       ALA 112   9.984  -6.206   8.158
  659    H    LEU 113           H        LEU 113  12.428  -7.397   5.206
  660    HA   LEU 113           HA       LEU 113  11.095  -9.739   5.759
  661   1HB   LEU 113          1HB       LEU 113  10.446 -10.444   3.407
  662   2HB   LEU 113          2HB       LEU 113   9.340  -9.421   4.289
  663    HG   LEU 113           HG       LEU 113   9.755  -7.580   2.890
  664   1HD1  LEU 113          1HD1      LEU 113  11.530  -7.462   1.245
  665   2HD1  LEU 113          2HD1      LEU 113  12.112  -9.054   1.730
  666   3HD1  LEU 113          3HD1      LEU 113  12.206  -7.700   2.856
  667   1HD2  LEU 113          1HD2      LEU 113   9.372  -8.470   0.649
  668   2HD2  LEU 113          2HD2      LEU 113   8.421  -9.328   1.862
  669   3HD2  LEU 113          3HD2      LEU 113   9.879 -10.067   1.198
  670    H    SER 114           H        SER 114  11.797 -11.548   4.069
  671    HA   SER 114           HA       SER 114  14.652 -11.440   3.862
  672   1HB   SER 114          1HB       SER 114  13.200 -13.519   4.273
  673   2HB   SER 114          2HB       SER 114  12.814 -13.453   2.550
  674    HG   SER 114           HG       SER 114  15.235 -14.048   3.841
  675    H    GLY 115           H        GLY 115  14.783  -9.501   2.539
  676   1HA   GLY 115          1HA       GLY 115  15.231  -9.747  -0.123
  677   2HA   GLY 115          2HA       GLY 115  13.485  -9.543  -0.013
  678    H    ASP 116           H        ASP 116  13.103  -7.593  -0.760
  679    HA   ASP 116           HA       ASP 116  14.310  -5.313   0.608
  680   1HB   ASP 116          1HB       ASP 116  14.937  -4.182  -1.423
  681   2HB   ASP 116          2HB       ASP 116  15.665  -5.783  -1.464
  682    H    SER 117           H        SER 117  11.673  -6.602   0.527
  683    HA   SER 117           HA       SER 117  10.076  -4.568  -0.782
  684   1HB   SER 117          1HB       SER 117   9.013  -7.098   0.472
  685   2HB   SER 117          2HB       SER 117   8.226  -6.059  -0.718
  686    HG   SER 117           HG       SER 117  10.667  -7.190  -1.451
  687    H    TYR 118           H        TYR 118   7.998  -4.030   0.567
  688    HA   TYR 118           HA       TYR 118   8.950  -3.374   3.272
  689   1HB   TYR 118          1HB       TYR 118   7.345  -1.405   1.687
  690   2HB   TYR 118          2HB       TYR 118   8.538  -1.113   2.953
  691    HD1  TYR 118           HD1      TYR 118   7.976  -1.522  -0.599
  692    HD2  TYR 118           HD2      TYR 118  10.963  -1.288   2.418
  693    HE1  TYR 118           HE1      TYR 118   9.689  -1.142  -2.327
  694    HE2  TYR 118           HE2      TYR 118  12.679  -0.899   0.703
  695    HH   TYR 118           HH       TYR 118  12.981  -1.413  -1.727
  696    H    TRP 119           H        TRP 119   7.289  -2.868   4.759
  697    HA   TRP 119           HA       TRP 119   4.739  -4.153   4.125
  698   1HB   TRP 119          1HB       TRP 119   6.329  -3.713   6.607
  699   2HB   TRP 119          2HB       TRP 119   4.572  -3.724   6.766
  700    HD1  TRP 119           HD1      TRP 119   7.528  -6.015   6.296
  701    HE1  TRP 119           HE1      TRP 119   6.722  -8.463   6.275
  702    HE3  TRP 119           HE3      TRP 119   2.493  -5.202   6.004
  703    HZ2  TRP 119           HZ2      TRP 119   4.274  -9.857   6.148
  704    HZ3  TRP 119           HZ3      TRP 119   0.986  -7.146   5.935
  705    HH2  TRP 119           HH2      TRP 119   1.859  -9.424   6.005
  706    H    VAL 120           H        VAL 120   3.283  -2.824   3.419
  707    HA   VAL 120           HA       VAL 120   3.291  -0.060   4.373
  708    HB   VAL 120           HB       VAL 120   3.568  -0.240   2.206
  709   1HG1  VAL 120          1HG1      VAL 120   1.960  -1.318   0.712
  710   2HG1  VAL 120          2HG1      VAL 120   1.094  -1.953   2.111
  711   3HG1  VAL 120          3HG1      VAL 120   2.747  -2.476   1.784
  712   1HG2  VAL 120          1HG2      VAL 120   0.738   0.533   2.824
  713   2HG2  VAL 120          2HG2      VAL 120   1.642   0.985   1.378
  714   3HG2  VAL 120          3HG2      VAL 120   2.166   1.559   2.961
  715    H    PHE 121           H        PHE 121   2.031   0.289   5.984
  716    HA   PHE 121           HA       PHE 121  -0.408  -1.313   6.340
  717   1HB   PHE 121          1HB       PHE 121   1.211   0.328   8.300
  718   2HB   PHE 121          2HB       PHE 121  -0.311  -0.458   8.698
  719    HD1  PHE 121           HD1      PHE 121   3.231  -0.967   7.918
  720    HD2  PHE 121           HD2      PHE 121  -0.436  -2.835   9.006
  721    HE1  PHE 121           HE1      PHE 121   4.448  -3.034   8.467
  722    HE2  PHE 121           HE2      PHE 121   0.777  -4.899   9.563
  723    HZ   PHE 121           HZ       PHE 121   3.237  -4.972   9.369
  724    H    VAL 122           H        VAL 122  -2.368  -0.394   6.573
  725    HA   VAL 122           HA       VAL 122  -2.555   2.483   5.963
  726    HB   VAL 122           HB       VAL 122  -4.560   0.417   5.909
  727   1HG1  VAL 122          1HG1      VAL 122  -4.476   3.249   4.867
  728   2HG1  VAL 122          2HG1      VAL 122  -5.453   2.665   6.214
  729   3HG1  VAL 122          3HG1      VAL 122  -5.772   2.087   4.579
  730   1HG2  VAL 122          1HG2      VAL 122  -4.251   0.493   3.498
  731   2HG2  VAL 122          2HG2      VAL 122  -2.792  -0.060   4.322
  732   3HG2  VAL 122          3HG2      VAL 122  -2.886   1.590   3.707
  733    H    LYS 123           H        LYS 123  -2.585   3.576   7.827
  734    HA   LYS 123           HA       LYS 123  -4.279   2.600  10.029
  735   1HB   LYS 123          1HB       LYS 123  -2.146   4.745  10.100
  736   2HB   LYS 123          2HB       LYS 123  -2.979   4.050  11.481
  737   1HG   LYS 123          1HG       LYS 123  -1.156   2.512   9.645
  738   2HG   LYS 123          2HG       LYS 123  -0.667   3.229  11.180
  739   1HD   LYS 123          1HD       LYS 123  -2.368   1.844  12.324
  740   2HD   LYS 123          2HD       LYS 123  -2.746   1.081  10.777
  741   1HE   LYS 123          1HE       LYS 123  -0.459   0.261  10.608
  742   2HE   LYS 123          2HE       LYS 123  -0.046   1.065  12.120
  743   1HZ   LYS 123          1HZ       LYS 123  -1.700  -0.353  13.239
  744   2HZ   LYS 123          2HZ       LYS 123  -0.438  -1.245  12.530
  745   3HZ   LYS 123          3HZ       LYS 123  -1.954  -1.177  11.780
  746    H    ARG 124           H        ARG 124  -6.148   3.668  10.431
  747    HA   ARG 124           HA       ARG 124  -6.787   6.000   8.852
  748   1HB   ARG 124          1HB       ARG 124  -8.388   4.579  10.986
  749   2HB   ARG 124          2HB       ARG 124  -8.991   5.882   9.975
  750   1HG   ARG 124          1HG       ARG 124  -8.528   4.433   7.985
  751   2HG   ARG 124          2HG       ARG 124  -8.176   3.119   9.113
  752   1HD   ARG 124          1HD       ARG 124 -10.775   4.633   8.892
  753   2HD   ARG 124          2HD       ARG 124 -10.477   2.993   8.320
  754    HE   ARG 124           HE       ARG 124 -10.067   2.433  10.727
  755   1HH1  ARG 124          1HH1      ARG 124 -12.089   5.143   9.821
  756   2HH1  ARG 124          2HH1      ARG 124 -13.029   5.099  11.281
  757   1HH2  ARG 124          1HH2      ARG 124 -11.289   2.368  12.640
  758   2HH2  ARG 124          2HH2      ARG 124 -12.596   3.495  12.871
  759    H    VAL 125           H        VAL 125  -7.148   8.061   9.580
  760    HA   VAL 125           HA       VAL 125  -5.738   8.780  12.003
  761    HB   VAL 125           HB       VAL 125  -7.230  10.415  10.167
  762   1HG1  VAL 125          1HG1      VAL 125  -6.792  11.443  12.344
  763   2HG1  VAL 125          2HG1      VAL 125  -5.792  12.173  11.089
  764   3HG1  VAL 125          3HG1      VAL 125  -5.087  11.010  12.211
  765   1HG2  VAL 125          1HG2      VAL 125  -4.313   9.689  10.187
  766   2HG2  VAL 125          2HG2      VAL 125  -5.112  10.823   9.097
  767   3HG2  VAL 125          3HG2      VAL 125  -5.505   9.106   9.026
  768    H2   HC4 169           H2       HC4 169  -6.964   3.619  -2.666
  769    H3   HC4 169           H3       HC4 169  -7.507   1.419  -4.599
  770    H2'  HC4 169           H2'      HC4 169  -7.610  -0.849  -3.499
  771    H3'  HC4 169           H3'      HC4 169  -7.887  -2.250  -1.497
  772    H5'  HC4 169           H5'      HC4 169  -7.122   1.149   0.952
  773    H6'  HC4 169           H6'      HC4 169  -7.043   2.569  -1.052
  Start of MODEL   20
    1    H    LEU  26           H        LEU  26  -8.337  -8.922  11.832
    2    HA   LEU  26           HA       LEU  26  -8.313  -6.766  12.871
    3   1HB   LEU  26          1HB       LEU  26  -6.216  -7.874  12.064
    4   2HB   LEU  26          2HB       LEU  26  -6.336  -6.925  10.600
    5    HG   LEU  26           HG       LEU  26  -6.031  -4.886  11.828
    6   1HD1  LEU  26          1HD1      LEU  26  -7.103  -5.519  13.929
    7   2HD1  LEU  26          2HD1      LEU  26  -5.471  -4.913  14.215
    8   3HD1  LEU  26          3HD1      LEU  26  -5.789  -6.647  14.266
    9   1HD2  LEU  26          1HD2      LEU  26  -4.067  -6.039  11.004
   10   2HD2  LEU  26          2HD2      LEU  26  -3.975  -6.981  12.492
   11   3HD2  LEU  26          3HD2      LEU  26  -3.711  -5.239  12.536
   12    H    ALA  27           H        ALA  27  -8.589  -4.568  12.745
   13    HA   ALA  27           HA       ALA  27 -10.310  -3.624  10.701
   14   1HB   ALA  27          1HB       ALA  27  -8.902  -2.076  12.866
   15   2HB   ALA  27          2HB       ALA  27 -10.474  -2.863  13.013
   16   3HB   ALA  27          3HB       ALA  27 -10.265  -1.508  11.902
   17    H    PHE  28           H        PHE  28  -7.080  -2.424  11.671
   18    HA   PHE  28           HA       PHE  28  -6.831  -0.972   9.208
   19   1HB   PHE  28          1HB       PHE  28  -4.573  -0.373  10.006
   20   2HB   PHE  28          2HB       PHE  28  -5.814  -0.030  11.201
   21    HD1  PHE  28           HD1      PHE  28  -2.850  -1.960  10.413
   22    HD2  PHE  28           HD2      PHE  28  -5.984  -1.399  13.238
   23    HE1  PHE  28           HE1      PHE  28  -1.554  -3.207  12.095
   24    HE2  PHE  28           HE2      PHE  28  -4.697  -2.648  14.922
   25    HZ   PHE  28           HZ       PHE  28  -2.478  -3.552  14.350
   26    H    GLY  29           H        GLY  29  -5.132  -1.323   7.636
   27   1HA   GLY  29          1HA       GLY  29  -4.941  -4.215   7.167
   28   2HA   GLY  29          2HA       GLY  29  -4.980  -2.983   5.917
   29    H    ALA  30           H        ALA  30  -3.109  -5.228   6.879
   30    HA   ALA  30           HA       ALA  30  -0.626  -3.669   6.702
   31   1HB   ALA  30          1HB       ALA  30  -1.043  -6.446   7.815
   32   2HB   ALA  30          2HB       ALA  30  -0.792  -4.981   8.764
   33   3HB   ALA  30          3HB       ALA  30   0.496  -5.589   7.727
   34    H    ILE  31           H        ILE  31  -0.113  -3.597   4.608
   35    HA   ILE  31           HA       ILE  31  -0.377  -6.062   3.018
   36    HB   ILE  31           HB       ILE  31  -0.237  -3.311   2.177
   37   1HG1  ILE  31          1HG1      ILE  31  -2.562  -5.227   2.335
   38   2HG1  ILE  31          2HG1      ILE  31  -2.297  -3.860   3.413
   39   1HG2  ILE  31          1HG2      ILE  31  -0.877  -4.251   0.006
   40   2HG2  ILE  31          2HG2      ILE  31  -0.758  -5.877   0.678
   41   3HG2  ILE  31          3HG2      ILE  31   0.684  -4.873   0.542
   42   1HD1  ILE  31          1HD1      ILE  31  -2.735  -3.680   0.442
   43   2HD1  ILE  31          2HD1      ILE  31  -2.532  -2.324   1.551
   44   3HD1  ILE  31          3HD1      ILE  31  -3.947  -3.369   1.684
   45    H    GLN  32           H        GLN  32   1.415  -6.762   1.855
   46    HA   GLN  32           HA       GLN  32   3.886  -5.255   2.376
   47   1HB   GLN  32          1HB       GLN  32   3.688  -7.656   3.227
   48   2HB   GLN  32          2HB       GLN  32   3.741  -8.152   1.539
   49   1HG   GLN  32          1HG       GLN  32   5.930  -7.036   1.313
   50   2HG   GLN  32          2HG       GLN  32   5.875  -6.630   3.027
   51   1HE2  GLN  32          1HE2      GLN  32   7.848  -8.204   1.632
   52   2HE2  GLN  32          2HE2      GLN  32   7.833  -9.773   2.354
   53    H    LEU  33           H        LEU  33   4.507  -4.078   0.706
   54    HA   LEU  33           HA       LEU  33   4.067  -5.093  -1.998
   55   1HB   LEU  33          1HB       LEU  33   4.931  -2.351  -1.076
   56   2HB   LEU  33          2HB       LEU  33   4.728  -2.822  -2.746
   57    HG   LEU  33           HG       LEU  33   2.832  -1.576  -2.229
   58   1HD1  LEU  33          1HD1      LEU  33   2.317  -3.624  -3.423
   59   2HD1  LEU  33          2HD1      LEU  33   0.980  -3.146  -2.378
   60   3HD1  LEU  33          3HD1      LEU  33   2.053  -4.459  -1.893
   61   1HD2  LEU  33          1HD2      LEU  33   2.511  -3.184   0.290
   62   2HD2  LEU  33          2HD2      LEU  33   1.421  -1.920  -0.281
   63   3HD2  LEU  33          3HD2      LEU  33   3.074  -1.517   0.184
   64    H    ASP  34           H        ASP  34   6.029  -4.799  -3.506
   65    HA   ASP  34           HA       ASP  34   8.477  -5.083  -1.900
   66   1HB   ASP  34          1HB       ASP  34   9.523  -6.294  -3.686
   67   2HB   ASP  34          2HB       ASP  34   7.979  -7.040  -3.307
   68    H    GLY  35           H        GLY  35  10.512  -4.305  -3.103
   69   1HA   GLY  35          1HA       GLY  35  10.299  -1.515  -3.183
   70   2HA   GLY  35          2HA       GLY  35  11.703  -2.439  -3.677
   71    H    ASP  36           H        ASP  36   9.309  -3.554  -5.620
   72    HA   ASP  36           HA       ASP  36   9.995  -1.621  -7.721
   73   1HB   ASP  36          1HB       ASP  36  10.366  -4.092  -8.112
   74   2HB   ASP  36          2HB       ASP  36   8.617  -4.291  -8.060
   75    H    GLY  37           H        GLY  37   7.264  -3.340  -6.277
   76   1HA   GLY  37          1HA       GLY  37   5.421  -1.536  -5.864
   77   2HA   GLY  37          2HA       GLY  37   5.402  -1.514  -7.622
   78    H    ASN  38           H        ASN  38   6.161  -4.594  -6.522
   79    HA   ASN  38           HA       ASN  38   3.616  -5.606  -7.420
   80   1HB   ASN  38          1HB       ASN  38   6.021  -7.018  -6.243
   81   2HB   ASN  38          2HB       ASN  38   4.573  -7.843  -6.819
   82   1HD2  ASN  38          1HD2      ASN  38   7.434  -6.159  -7.675
   83   2HD2  ASN  38          2HD2      ASN  38   7.378  -6.487  -9.378
   84    H    ILE  39           H        ILE  39   2.125  -6.744  -6.229
   85    HA   ILE  39           HA       ILE  39   2.140  -6.162  -3.368
   86    HB   ILE  39           HB       ILE  39   0.108  -7.502  -4.882
   87   1HG1  ILE  39          1HG1      ILE  39   0.475  -4.537  -4.470
   88   2HG1  ILE  39          2HG1      ILE  39   0.705  -5.378  -6.000
   89   1HG2  ILE  39          1HG2      ILE  39  -1.270  -6.549  -3.090
   90   2HG2  ILE  39          2HG2      ILE  39   0.167  -5.821  -2.371
   91   3HG2  ILE  39          3HG2      ILE  39   0.005  -7.576  -2.432
   92   1HD1  ILE  39          1HD1      ILE  39  -1.646  -6.036  -5.985
   93   2HD1  ILE  39          2HD1      ILE  39  -1.458  -4.284  -5.911
   94   3HD1  ILE  39          3HD1      ILE  39  -1.872  -5.189  -4.454
   95    H    LEU  40           H        LEU  40   1.941  -7.796  -1.820
   96    HA   LEU  40           HA       LEU  40   2.568 -10.496  -2.753
   97   1HB   LEU  40          1HB       LEU  40   3.432  -8.857  -0.430
   98   2HB   LEU  40          2HB       LEU  40   3.325 -10.592  -0.242
   99    HG   LEU  40           HG       LEU  40   4.801 -10.736  -2.326
  100   1HD1  LEU  40          1HD1      LEU  40   6.161  -8.809  -2.857
  101   2HD1  LEU  40          2HD1      LEU  40   5.316  -7.853  -1.639
  102   3HD1  LEU  40          3HD1      LEU  40   4.449  -8.427  -3.065
  103   1HD2  LEU  40          1HD2      LEU  40   6.861 -10.394  -1.051
  104   2HD2  LEU  40          2HD2      LEU  40   5.641 -11.237  -0.096
  105   3HD2  LEU  40          3HD2      LEU  40   5.950  -9.522   0.180
  106    H    GLN  41           H        GLN  41   1.195  -8.918   0.102
  107    HA   GLN  41           HA       GLN  41  -1.024 -10.758   0.109
  108   1HB   GLN  41          1HB       GLN  41  -0.450 -11.403   2.533
  109   2HB   GLN  41          2HB       GLN  41   0.436 -12.196   1.239
  110   1HG   GLN  41          1HG       GLN  41   2.213 -11.688   2.500
  111   2HG   GLN  41          2HG       GLN  41   2.075 -10.122   1.707
  112   1HE2  GLN  41          1HE2      GLN  41   3.246 -10.720   4.247
  113   2HE2  GLN  41          2HE2      GLN  41   2.370  -9.817   5.430
  114    H    TYR  42           H        TYR  42  -2.547 -10.280   1.789
  115    HA   TYR  42           HA       TYR  42  -2.507  -7.449   2.605
  116   1HB   TYR  42          1HB       TYR  42  -4.768  -9.110   1.497
  117   2HB   TYR  42          2HB       TYR  42  -5.059  -7.650   2.411
  118    HD1  TYR  42           HD1      TYR  42  -6.322  -6.826   0.363
  119    HD2  TYR  42           HD2      TYR  42  -2.143  -7.662   0.351
  120    HE1  TYR  42           HE1      TYR  42  -6.048  -5.522  -1.707
  121    HE2  TYR  42           HE2      TYR  42  -1.870  -6.364  -1.701
  122    HH   TYR  42           HH       TYR  42  -3.278  -5.650  -3.621
  123    H    ASN  43           H        ASN  43  -4.533  -7.218   4.223
  124    HA   ASN  43           HA       ASN  43  -4.385  -9.437   6.157
  125   1HB   ASN  43          1HB       ASN  43  -3.515  -7.135   6.846
  126   2HB   ASN  43          2HB       ASN  43  -5.181  -6.581   6.762
  127   1HD2  ASN  43          1HD2      ASN  43  -2.879  -8.510   8.472
  128   2HD2  ASN  43          2HD2      ASN  43  -3.862  -8.806   9.888
  129    H    ALA  44           H        ALA  44  -6.566  -9.273   7.603
  130    HA   ALA  44           HA       ALA  44  -8.708  -9.966   5.896
  131   1HB   ALA  44          1HB       ALA  44 -10.057 -10.069   7.921
  132   2HB   ALA  44          2HB       ALA  44  -8.804  -9.210   8.816
  133   3HB   ALA  44          3HB       ALA  44  -8.486 -10.826   8.185
  134    H    ALA  45           H        ALA  45  -7.629  -6.990   7.236
  135    HA   ALA  45           HA       ALA  45  -9.695  -5.265   7.253
  136   1HB   ALA  45          1HB       ALA  45  -7.019  -4.774   5.965
  137   2HB   ALA  45          2HB       ALA  45  -7.378  -4.653   7.689
  138   3HB   ALA  45          3HB       ALA  45  -8.131  -3.534   6.552
  139    H    GLU  46           H        GLU  46  -7.789  -5.817   4.270
  140    HA   GLU  46           HA       GLU  46  -9.461  -4.251   2.650
  141   1HB   GLU  46          1HB       GLU  46  -7.430  -6.374   2.011
  142   2HB   GLU  46          2HB       GLU  46  -8.300  -5.507   0.753
  143   1HG   GLU  46          1HG       GLU  46  -6.123  -4.526   1.122
  144   2HG   GLU  46          2HG       GLU  46  -7.391  -3.395   1.579
  145    HE2  GLU  46           HE2      GLU  46  -6.541  -2.090   3.394
  146    H    GLY  47           H        GLY  47  -9.437  -7.734   3.246
  147   1HA   GLY  47          1HA       GLY  47 -11.484  -8.433   1.438
  148   2HA   GLY  47          2HA       GLY  47 -11.067  -9.322   2.899
  149    H    ASP  48           H        ASP  48 -11.568  -7.242   4.741
  150    HA   ASP  48           HA       ASP  48 -14.361  -7.507   5.141
  151   1HB   ASP  48          1HB       ASP  48 -13.007  -7.299   7.073
  152   2HB   ASP  48          2HB       ASP  48 -12.226  -5.845   6.463
  153    H    ILE  49           H        ILE  49 -12.342  -4.883   3.899
  154    HA   ILE  49           HA       ILE  49 -14.251  -2.859   3.762
  155    HB   ILE  49           HB       ILE  49 -12.207  -3.516   1.856
  156   1HG1  ILE  49          1HG1      ILE  49 -12.182  -1.885   4.380
  157   2HG1  ILE  49          2HG1      ILE  49 -11.326  -3.392   4.074
  158   1HG2  ILE  49          1HG2      ILE  49 -12.308  -1.083   1.410
  159   2HG2  ILE  49          2HG2      ILE  49 -13.720  -0.974   2.462
  160   3HG2  ILE  49          3HG2      ILE  49 -13.801  -1.912   0.970
  161   1HD1  ILE  49          1HD1      ILE  49  -9.980  -2.296   2.370
  162   2HD1  ILE  49          2HD1      ILE  49  -9.830  -1.487   3.929
  163   3HD1  ILE  49          3HD1      ILE  49 -10.838  -0.784   2.663
  164    H    THR  50           H        THR  50 -13.306  -5.063   1.117
  165    HA   THR  50           HA       THR  50 -16.068  -5.115   0.228
  166    HB   THR  50           HB       THR  50 -15.190  -3.345  -0.821
  167    HG1  THR  50           HG1      THR  50 -15.572  -4.198  -2.994
  168   1HG2  THR  50          1HG2      THR  50 -12.806  -3.969  -0.807
  169   2HG2  THR  50          2HG2      THR  50 -13.383  -3.488  -2.401
  170   3HG2  THR  50          3HG2      THR  50 -13.146  -5.195  -2.030
  171    H    GLY  51           H        GLY  51 -12.749  -6.322  -0.286
  172   1HA   GLY  51          1HA       GLY  51 -12.877  -8.890   0.035
  173   2HA   GLY  51          2HA       GLY  51 -13.903  -8.792  -1.389
  174    H    ARG  52           H        ARG  52 -10.668  -8.046  -0.181
  175    HA   ARG  52           HA       ARG  52  -9.659  -8.459  -2.914
  176   1HB   ARG  52          1HB       ARG  52  -8.956  -6.430  -0.867
  177   2HB   ARG  52          2HB       ARG  52  -7.614  -7.126  -1.764
  178   1HG   ARG  52          1HG       ARG  52  -8.407  -5.066  -2.795
  179   2HG   ARG  52          2HG       ARG  52  -8.633  -6.448  -3.863
  180   1HD   ARG  52          1HD       ARG  52 -11.008  -6.559  -2.990
  181   2HD   ARG  52          2HD       ARG  52 -10.709  -4.987  -2.252
  182    HE   ARG  52           HE       ARG  52 -10.782  -3.998  -4.339
  183   1HH1  ARG  52          1HH1      ARG  52 -10.852  -7.495  -4.620
  184   2HH1  ARG  52          2HH1      ARG  52 -11.198  -7.484  -6.322
  185   1HH2  ARG  52          1HH2      ARG  52 -11.292  -3.977  -6.583
  186   2HH2  ARG  52          2HH2      ARG  52 -11.467  -5.488  -7.435
  187    H    ASP  53           H        ASP  53  -8.509 -10.221  -3.163
  188    HA   ASP  53           HA       ASP  53  -7.685 -11.726  -0.803
  189   1HB   ASP  53          1HB       ASP  53  -8.096 -12.421  -3.689
  190   2HB   ASP  53          2HB       ASP  53  -7.106 -13.459  -2.671
  191    HA   PRO  54           HA       PRO  54  -3.389 -10.606  -1.205
  192   1HB   PRO  54          1HB       PRO  54  -2.990 -13.207   0.161
  193   2HB   PRO  54          2HB       PRO  54  -2.440 -11.595   0.628
  194   1HG   PRO  54          1HG       PRO  54  -4.446 -12.799   1.920
  195   2HG   PRO  54          2HG       PRO  54  -4.453 -11.049   1.626
  196   1HD   PRO  54          1HD       PRO  54  -5.958 -13.218   0.224
  197   2HD   PRO  54          2HD       PRO  54  -6.483 -11.577   0.656
  198    H    LYS  55           H        LYS  55  -4.743 -13.722  -2.098
  199    HA   LYS  55           HA       LYS  55  -2.360 -14.591  -3.459
  200   1HB   LYS  55          1HB       LYS  55  -5.154 -15.735  -3.502
  201   2HB   LYS  55          2HB       LYS  55  -3.726 -16.509  -4.169
  202   1HG   LYS  55          1HG       LYS  55  -4.015 -15.794  -1.260
  203   2HG   LYS  55          2HG       LYS  55  -4.480 -17.354  -1.934
  204   1HD   LYS  55          1HD       LYS  55  -2.329 -17.730  -1.112
  205   2HD   LYS  55          2HD       LYS  55  -2.069 -17.457  -2.833
  206   1HE   LYS  55          1HE       LYS  55  -1.443 -15.137  -2.365
  207   2HE   LYS  55          2HE       LYS  55  -1.710 -15.411  -0.644
  208   1HZ   LYS  55          1HZ       LYS  55   0.301 -16.817  -2.322
  209   2HZ   LYS  55          2HZ       LYS  55   0.063 -17.044  -0.658
  210   3HZ   LYS  55          3HZ       LYS  55   0.635 -15.555  -1.235
  211    H    GLN  56           H        GLN  56  -4.883 -12.502  -4.261
  212    HA   GLN  56           HA       GLN  56  -4.847 -13.118  -7.106
  213   1HB   GLN  56          1HB       GLN  56  -6.327 -11.049  -5.486
  214   2HB   GLN  56          2HB       GLN  56  -6.418 -11.139  -7.237
  215   1HG   GLN  56          1HG       GLN  56  -7.367 -13.387  -7.071
  216   2HG   GLN  56          2HG       GLN  56  -7.269 -13.291  -5.312
  217   1HE2  GLN  56          1HE2      GLN  56  -9.499 -13.536  -5.090
  218   2HE2  GLN  56          2HE2      GLN  56 -10.605 -12.266  -5.472
  219    H    VAL  57           H        VAL  57  -3.265 -11.006  -4.898
  220    HA   VAL  57           HA       VAL  57  -2.758  -9.027  -6.990
  221    HB   VAL  57           HB       VAL  57  -1.783  -7.811  -5.201
  222   1HG1  VAL  57          1HG1      VAL  57  -4.033  -7.100  -4.499
  223   2HG1  VAL  57          2HG1      VAL  57  -4.710  -8.565  -5.213
  224   3HG1  VAL  57          3HG1      VAL  57  -3.947  -7.355  -6.242
  225   1HG2  VAL  57          1HG2      VAL  57  -2.575  -8.388  -2.975
  226   2HG2  VAL  57          2HG2      VAL  57  -1.490  -9.625  -3.611
  227   3HG2  VAL  57          3HG2      VAL  57  -3.232  -9.902  -3.593
  228    H    ILE  58           H        ILE  58  -1.256 -11.685  -6.533
  229    HA   ILE  58           HA       ILE  58   1.386 -10.670  -5.896
  230    HB   ILE  58           HB       ILE  58   0.580 -13.270  -6.820
  231   1HG1  ILE  58          1HG1      ILE  58   0.982 -12.174  -4.038
  232   2HG1  ILE  58          2HG1      ILE  58  -0.568 -12.610  -4.752
  233   1HG2  ILE  58          1HG2      ILE  58   3.069 -12.228  -5.464
  234   2HG2  ILE  58          2HG2      ILE  58   2.954 -12.745  -7.145
  235   3HG2  ILE  58          3HG2      ILE  58   2.733 -13.918  -5.846
  236   1HD1  ILE  58          1HD1      ILE  58   1.713 -14.492  -4.215
  237   2HD1  ILE  58          2HD1      ILE  58   0.150 -14.927  -4.906
  238   3HD1  ILE  58          3HD1      ILE  58   0.247 -14.334  -3.248
  239    H    GLY  59           H        GLY  59   2.862 -10.040  -7.352
  240   1HA   GLY  59          1HA       GLY  59   3.875  -9.829  -9.452
  241   2HA   GLY  59          2HA       GLY  59   2.629 -10.874 -10.124
  242    H    LYS  60           H        LYS  60   1.035  -8.779  -8.283
  243    HA   LYS  60           HA       LYS  60   0.271  -7.171 -10.582
  244   1HB   LYS  60          1HB       LYS  60  -1.007  -8.165  -8.111
  245   2HB   LYS  60          2HB       LYS  60  -1.468  -6.539  -8.600
  246   1HG   LYS  60          1HG       LYS  60  -3.048  -8.019  -9.548
  247   2HG   LYS  60          2HG       LYS  60  -2.006  -7.461 -10.856
  248   1HD   LYS  60          1HD       LYS  60  -0.695  -9.551 -10.647
  249   2HD   LYS  60          2HD       LYS  60  -1.851 -10.117  -9.436
  250   1HE   LYS  60          1HE       LYS  60  -3.649  -9.952 -11.084
  251   2HE   LYS  60          2HE       LYS  60  -2.497  -9.381 -12.291
  252   1HZ   LYS  60          1HZ       LYS  60  -1.291 -11.585 -11.747
  253   2HZ   LYS  60          2HZ       LYS  60  -2.647 -11.607 -12.759
  254   3HZ   LYS  60          3HZ       LYS  60  -2.800 -12.074 -11.135
  255    H    ASN  61           H        ASN  61   0.465  -4.958 -10.603
  256    HA   ASN  61           HA       ASN  61   2.119  -3.812  -8.487
  257   1HB   ASN  61          1HB       ASN  61   2.544  -3.378 -10.962
  258   2HB   ASN  61          2HB       ASN  61   1.096  -2.374 -10.938
  259   1HD2  ASN  61          1HD2      ASN  61   4.389  -2.672 -10.011
  260   2HD2  ASN  61          2HD2      ASN  61   4.594  -1.061  -9.414
  261    H    PHE  62           H        PHE  62   1.232  -2.889  -6.802
  262    HA   PHE  62           HA       PHE  62  -1.512  -2.672  -6.390
  263   1HB   PHE  62          1HB       PHE  62   0.136  -2.782  -4.567
  264   2HB   PHE  62          2HB       PHE  62   0.712  -1.172  -4.986
  265    HD1  PHE  62           HD1      PHE  62  -0.285   0.726  -4.070
  266    HD2  PHE  62           HD2      PHE  62  -2.272  -3.027  -3.795
  267    HE1  PHE  62           HE1      PHE  62  -1.942   1.718  -2.548
  268    HE2  PHE  62           HE2      PHE  62  -3.930  -2.042  -2.267
  269    HZ   PHE  62           HZ       PHE  62  -3.761   0.329  -1.634
  270    H    PHE  63           H        PHE  63   0.796  -0.272  -7.491
  271    HA   PHE  63           HA       PHE  63  -1.058   1.910  -7.128
  272   1HB   PHE  63          1HB       PHE  63   1.661   1.926  -8.452
  273   2HB   PHE  63          2HB       PHE  63   0.778   3.314  -7.823
  274    HD1  PHE  63           HD1      PHE  63   2.570   0.228  -6.870
  275    HD2  PHE  63           HD2      PHE  63   0.906   3.911  -5.537
  276    HE1  PHE  63           HE1      PHE  63   3.682  -0.060  -4.697
  277    HE2  PHE  63           HE2      PHE  63   2.014   3.626  -3.359
  278    HZ   PHE  63           HZ       PHE  63   3.404   1.637  -2.937
  279    H    LYS  64           H        LYS  64  -0.939  -0.411  -9.382
  280    HA   LYS  64           HA       LYS  64  -1.653   1.426 -11.574
  281   1HB   LYS  64          1HB       LYS  64  -0.243  -1.239 -11.742
  282   2HB   LYS  64          2HB       LYS  64  -0.832  -0.339 -13.130
  283   1HG   LYS  64          1HG       LYS  64   1.257   0.604 -11.182
  284   2HG   LYS  64          2HG       LYS  64   1.564  -0.046 -12.792
  285   1HD   LYS  64          1HD       LYS  64   0.273   1.819 -13.761
  286   2HD   LYS  64          2HD       LYS  64   0.037   2.474 -12.138
  287   1HE   LYS  64          1HE       LYS  64   1.864   3.628 -13.205
  288   2HE   LYS  64          2HE       LYS  64   2.484   2.638 -11.884
  289   1HZ   LYS  64          1HZ       LYS  64   3.935   2.303 -13.671
  290   2HZ   LYS  64          2HZ       LYS  64   2.677   2.135 -14.795
  291   3HZ   LYS  64          3HZ       LYS  64   2.963   0.913 -13.654
  292    H    ASP  65           H        ASP  65  -2.032  -1.937 -10.476
  293    HA   ASP  65           HA       ASP  65  -4.235  -2.287 -12.301
  294   1HB   ASP  65          1HB       ASP  65  -2.438  -4.025 -11.815
  295   2HB   ASP  65          2HB       ASP  65  -3.271  -4.308 -10.288
  296    H    VAL  66           H        VAL  66  -4.018  -3.271  -8.888
  297    HA   VAL  66           HA       VAL  66  -6.913  -3.064  -8.762
  298    HB   VAL  66           HB       VAL  66  -5.589  -4.863  -8.086
  299   1HG1  VAL  66          1HG1      VAL  66  -4.673  -4.820  -5.822
  300   2HG1  VAL  66          2HG1      VAL  66  -4.983  -3.087  -5.742
  301   3HG1  VAL  66          3HG1      VAL  66  -3.820  -3.721  -6.906
  302   1HG2  VAL  66          1HG2      VAL  66  -7.525  -3.682  -6.123
  303   2HG2  VAL  66          2HG2      VAL  66  -7.055  -5.379  -6.218
  304   3HG2  VAL  66          3HG2      VAL  66  -7.934  -4.632  -7.551
  305    H    ALA  67           H        ALA  67  -4.814  -0.803  -8.557
  306    HA   ALA  67           HA       ALA  67  -6.466   0.913  -7.014
  307   1HB   ALA  67          1HB       ALA  67  -4.899   1.545  -5.259
  308   2HB   ALA  67          2HB       ALA  67  -3.753   0.329  -5.827
  309   3HB   ALA  67          3HB       ALA  67  -5.302  -0.168  -5.147
  310    HA   PRO  68           HA       PRO  68  -3.865   2.702 -10.418
  311   1HB   PRO  68          1HB       PRO  68  -6.402   3.973 -11.172
  312   2HB   PRO  68          2HB       PRO  68  -5.310   2.982 -12.143
  313   1HG   PRO  68          1HG       PRO  68  -7.706   2.067 -11.337
  314   2HG   PRO  68          2HG       PRO  68  -6.292   1.004 -11.470
  315   1HD   PRO  68          1HD       PRO  68  -7.494   2.261  -9.031
  316   2HD   PRO  68          2HD       PRO  68  -6.875   0.609  -9.258
  317    H    CYS  69           H        CYS  69  -5.903   4.081  -7.962
  318    HA   CYS  69           HA       CYS  69  -5.290   6.809  -8.664
  319   1HB   CYS  69          1HB       CYS  69  -6.777   7.469  -7.039
  320   2HB   CYS  69          2HB       CYS  69  -7.399   5.865  -7.397
  321    H    THR  70           H        THR  70  -3.748   4.349  -6.968
  322    HA   THR  70           HA       THR  70  -2.283   5.983  -5.205
  323    HB   THR  70           HB       THR  70  -1.242   3.508  -6.059
  324    HG1  THR  70           HG1      THR  70  -3.163   2.609  -5.947
  325   1HG2  THR  70          1HG2      THR  70  -0.383   4.740  -4.127
  326   2HG2  THR  70          2HG2      THR  70  -1.140   3.223  -3.643
  327   3HG2  THR  70          3HG2      THR  70  -1.997   4.748  -3.418
  328    H    ASP  71           H        ASP  71  -1.826   5.093  -8.507
  329    HA   ASP  71           HA       ASP  71   0.977   5.521  -8.695
  330   1HB   ASP  71          1HB       ASP  71  -0.206   4.365 -10.471
  331   2HB   ASP  71          2HB       ASP  71  -1.213   5.782 -10.756
  332    H    SER  72           H        SER  72   1.670   7.372  -7.760
  333    HA   SER  72           HA       SER  72   1.214   9.881  -9.028
  334   1HB   SER  72          1HB       SER  72   0.000   9.440  -6.284
  335   2HB   SER  72          2HB       SER  72   0.247  11.026  -7.010
  336    HG   SER  72           HG       SER  72  -1.084   9.296  -8.657
  337    HA   PRO  73           HA       PRO  73   5.252  10.630  -7.366
  338   1HB   PRO  73          1HB       PRO  73   4.224  13.374  -6.812
  339   2HB   PRO  73          2HB       PRO  73   5.686  12.871  -7.669
  340   1HG   PRO  73          1HG       PRO  73   3.585  13.738  -9.030
  341   2HG   PRO  73          2HG       PRO  73   4.522  12.350  -9.616
  342   1HD   PRO  73          1HD       PRO  73   1.863  12.404  -8.254
  343   2HD   PRO  73          2HD       PRO  73   2.436  11.362  -9.572
  344    H    GLU  74           H        GLU  74   2.476  11.836  -5.484
  345    HA   GLU  74           HA       GLU  74   4.089  11.878  -3.068
  346   1HB   GLU  74          1HB       GLU  74   1.905  12.557  -1.963
  347   2HB   GLU  74          2HB       GLU  74   2.590  13.673  -3.131
  348   1HG   GLU  74          1HG       GLU  74   0.437  11.713  -3.857
  349   2HG   GLU  74          2HG       GLU  74   0.086  13.307  -3.194
  350    H    PHE  75           H        PHE  75   2.369   9.514  -4.703
  351    HA   PHE  75           HA       PHE  75   2.166   7.936  -2.217
  352   1HB   PHE  75          1HB       PHE  75   0.811   7.437  -4.875
  353   2HB   PHE  75          2HB       PHE  75   0.710   6.379  -3.482
  354    HD1  PHE  75           HD1      PHE  75  -1.019   8.681  -5.317
  355    HD2  PHE  75           HD2      PHE  75  -0.069   7.769  -1.264
  356    HE1  PHE  75           HE1      PHE  75  -3.050   9.858  -4.576
  357    HE2  PHE  75           HE2      PHE  75  -2.096   8.945  -0.522
  358    HZ   PHE  75           HZ       PHE  75  -3.590   9.988  -2.176
  359    H    TYR  76           H        TYR  76   2.350   6.863  -5.561
  360    HA   TYR  76           HA       TYR  76   4.183   4.805  -5.124
  361   1HB   TYR  76          1HB       TYR  76   2.666   4.924  -7.069
  362   2HB   TYR  76          2HB       TYR  76   3.578   6.289  -7.698
  363    HD1  TYR  76           HD1      TYR  76   5.256   5.888  -9.253
  364    HD2  TYR  76           HD2      TYR  76   4.046   2.734  -6.673
  365    HE1  TYR  76           HE1      TYR  76   6.712   4.332 -10.481
  366    HE2  TYR  76           HE2      TYR  76   5.499   1.169  -7.889
  367    HH   TYR  76           HH       TYR  76   6.545   0.954 -10.117
  368    H    GLY  77           H        GLY  77   4.636   8.159  -6.104
  369   1HA   GLY  77          1HA       GLY  77   7.350   8.056  -6.776
  370   2HA   GLY  77          2HA       GLY  77   6.507   9.479  -6.181
  371    H    LYS  78           H        LYS  78   5.820   8.741  -3.636
  372    HA   LYS  78           HA       LYS  78   8.260   9.011  -2.222
  373   1HB   LYS  78          1HB       LYS  78   5.419   8.502  -1.358
  374   2HB   LYS  78          2HB       LYS  78   6.737   8.541  -0.193
  375   1HG   LYS  78          1HG       LYS  78   6.016  10.789  -2.065
  376   2HG   LYS  78          2HG       LYS  78   5.550  10.688  -0.361
  377   1HD   LYS  78          1HD       LYS  78   7.842  10.770   0.334
  378   2HD   LYS  78          2HD       LYS  78   8.406  10.633  -1.331
  379   1HE   LYS  78          1HE       LYS  78   7.446  12.804  -1.853
  380   2HE   LYS  78          2HE       LYS  78   6.814  12.935  -0.211
  381   1HZ   LYS  78          1HZ       LYS  78   8.981  13.079   0.662
  382   2HZ   LYS  78          2HZ       LYS  78   8.948  14.146  -0.653
  383   3HZ   LYS  78          3HZ       LYS  78   9.703  12.632  -0.804
  384    H    PHE  79           H        PHE  79   6.100   6.313  -2.812
  385    HA   PHE  79           HA       PHE  79   7.320   4.361  -1.247
  386   1HB   PHE  79          1HB       PHE  79   5.187   4.008  -2.369
  387   2HB   PHE  79          2HB       PHE  79   5.968   4.123  -3.942
  388    HD1  PHE  79           HD1      PHE  79   5.784   2.090  -0.858
  389    HD2  PHE  79           HD2      PHE  79   6.896   2.241  -4.961
  390    HE1  PHE  79           HE1      PHE  79   6.148  -0.337  -0.844
  391    HE2  PHE  79           HE2      PHE  79   7.260  -0.190  -4.954
  392    HZ   PHE  79           HZ       PHE  79   6.886  -1.474  -2.889
  393    H    LYS  80           H        LYS  80   8.083   5.502  -4.478
  394    HA   LYS  80           HA       LYS  80  10.253   3.594  -4.785
  395   1HB   LYS  80          1HB       LYS  80   9.410   5.857  -6.608
  396   2HB   LYS  80          2HB       LYS  80  10.561   4.588  -7.002
  397   1HG   LYS  80          1HG       LYS  80   7.616   4.226  -6.461
  398   2HG   LYS  80          2HG       LYS  80   8.415   4.151  -8.033
  399   1HD   LYS  80          1HD       LYS  80   9.066   2.312  -5.735
  400   2HD   LYS  80          2HD       LYS  80   7.901   1.925  -7.001
  401   1HE   LYS  80          1HE       LYS  80  10.815   2.560  -7.461
  402   2HE   LYS  80          2HE       LYS  80  10.133   0.935  -7.398
  403   1HZ   LYS  80          1HZ       LYS  80  10.244   1.443  -9.652
  404   2HZ   LYS  80          2HZ       LYS  80   9.705   3.036  -9.435
  405   3HZ   LYS  80          3HZ       LYS  80   8.618   1.744  -9.267
  406    H    GLU  81           H        GLU  81   9.832   6.661  -3.463
  407    HA   GLU  81           HA       GLU  81  12.297   7.887  -4.154
  408   1HB   GLU  81          1HB       GLU  81  10.305   9.106  -3.286
  409   2HB   GLU  81          2HB       GLU  81  10.566   8.362  -1.717
  410   1HG   GLU  81          1HG       GLU  81  12.647   9.509  -1.449
  411   2HG   GLU  81          2HG       GLU  81  12.566  10.134  -3.095
  412    H    GLY  82           H        GLY  82  11.219   5.918  -1.428
  413   1HA   GLY  82          1HA       GLY  82  13.714   5.951  -0.055
  414   2HA   GLY  82          2HA       GLY  82  12.410   4.798   0.196
  415    H    VAL  83           H        VAL  83  12.331   3.950  -2.564
  416    HA   VAL  83           HA       VAL  83  14.227   1.862  -2.530
  417    HB   VAL  83           HB       VAL  83  12.885   3.015  -4.798
  418   1HG1  VAL  83          1HG1      VAL  83  13.103   0.739  -5.667
  419   2HG1  VAL  83          2HG1      VAL  83  13.992   0.268  -4.219
  420   3HG1  VAL  83          3HG1      VAL  83  14.685   1.446  -5.335
  421   1HG2  VAL  83          1HG2      VAL  83  11.955   0.954  -2.817
  422   2HG2  VAL  83          2HG2      VAL  83  11.140   1.382  -4.322
  423   3HG2  VAL  83          3HG2      VAL  83  11.289   2.572  -3.029
  424    H    ALA  84           H        ALA  84  14.048   4.835  -4.481
  425    HA   ALA  84           HA       ALA  84  16.444   4.425  -5.906
  426   1HB   ALA  84          1HB       ALA  84  15.082   7.035  -5.261
  427   2HB   ALA  84          2HB       ALA  84  14.684   5.981  -6.617
  428   3HB   ALA  84          3HB       ALA  84  16.265   6.760  -6.540
  429    H    SER  85           H        SER  85  15.857   5.574  -2.697
  430    HA   SER  85           HA       SER  85  18.525   6.730  -2.489
  431   1HB   SER  85          1HB       SER  85  16.396   6.530  -0.349
  432   2HB   SER  85          2HB       SER  85  17.830   7.554  -0.329
  433    HG   SER  85           HG       SER  85  15.560   7.754  -2.023
  434    H    GLY  86           H        GLY  86  16.750   4.743  -0.147
  435   1HA   GLY  86          1HA       GLY  86  18.570   2.542  -0.321
  436   2HA   GLY  86          2HA       GLY  86  18.893   3.556   1.081
  437    H    ASN  87           H        ASN  87  16.800   4.160   2.301
  438    HA   ASN  87           HA       ASN  87  15.106   1.754   2.508
  439   1HB   ASN  87          1HB       ASN  87  15.100   1.879   4.863
  440   2HB   ASN  87          2HB       ASN  87  16.781   2.170   4.432
  441   1HD2  ASN  87          1HD2      ASN  87  17.644   4.256   4.697
  442   2HD2  ASN  87          2HD2      ASN  87  16.851   5.443   5.681
  443    H    LEU  88           H        LEU  88  12.912   2.146   3.163
  444    HA   LEU  88           HA       LEU  88  12.104   4.949   3.190
  445   1HB   LEU  88          1HB       LEU  88  11.716   3.806   0.929
  446   2HB   LEU  88          2HB       LEU  88  10.498   2.853   1.747
  447    HG   LEU  88           HG       LEU  88   9.673   4.858   0.431
  448   1HD1  LEU  88          1HD1      LEU  88   8.978   4.704   3.355
  449   2HD1  LEU  88          2HD1      LEU  88   8.253   3.761   2.053
  450   3HD1  LEU  88          3HD1      LEU  88   8.019   5.507   2.113
  451   1HD2  LEU  88          1HD2      LEU  88  11.399   6.441   1.080
  452   2HD2  LEU  88          2HD2      LEU  88  10.871   6.347   2.761
  453   3HD2  LEU  88          3HD2      LEU  88   9.802   7.035   1.538
  454    H    ASN  89           H        ASN  89  11.578   5.106   5.266
  455    HA   ASN  89           HA       ASN  89   9.354   3.431   6.190
  456   1HB   ASN  89          1HB       ASN  89  11.624   4.332   7.981
  457   2HB   ASN  89          2HB       ASN  89  10.219   3.381   8.446
  458   1HD2  ASN  89          1HD2      ASN  89  13.306   3.341   6.840
  459   2HD2  ASN  89          2HD2      ASN  89  13.463   1.615   6.763
  460    H    THR  90           H        THR  90   7.852   4.898   5.822
  461    HA   THR  90           HA       THR  90   8.071   7.432   7.283
  462    HB   THR  90           HB       THR  90   6.925   8.441   5.516
  463    HG1  THR  90           HG1      THR  90   7.407   7.227   3.456
  464   1HG2  THR  90          1HG2      THR  90   8.941   8.735   4.168
  465   2HG2  THR  90          2HG2      THR  90   9.671   7.340   4.963
  466   3HG2  THR  90          3HG2      THR  90   9.298   8.789   5.895
  467    H    MET  91           H        MET  91   6.005   8.485   7.569
  468    HA   MET  91           HA       MET  91   3.671   6.779   7.113
  469   1HB   MET  91          1HB       MET  91   2.710   7.511   9.298
  470   2HB   MET  91          2HB       MET  91   4.111   6.462   9.441
  471   1HG   MET  91          1HG       MET  91   5.512   8.423   9.895
  472   2HG   MET  91          2HG       MET  91   4.082   9.450   9.798
  473   1HE   MET  91          1HE       MET  91   4.609  10.447  12.188
  474   2HE   MET  91          2HE       MET  91   6.046   9.432  12.313
  475   3HE   MET  91          3HE       MET  91   4.872   9.464  13.629
  476    H    PHE  92           H        PHE  92   2.471   7.771   5.740
  477    HA   PHE  92           HA       PHE  92   2.584  10.705   5.546
  478   1HB   PHE  92          1HB       PHE  92   3.287   9.102   3.636
  479   2HB   PHE  92          2HB       PHE  92   1.570   8.796   3.447
  480    HD1  PHE  92           HD1      PHE  92   0.331  10.111   2.009
  481    HD2  PHE  92           HD2      PHE  92   4.013  11.598   3.540
  482    HE1  PHE  92           HE1      PHE  92   0.131  12.088   0.558
  483    HE2  PHE  92           HE2      PHE  92   3.819  13.577   2.100
  484    HZ   PHE  92           HZ       PHE  92   1.913  13.760   0.511
  485    H    GLU  93           H        GLU  93   0.591  11.831   5.052
  486    HA   GLU  93           HA       GLU  93  -1.804  10.414   6.017
  487   1HB   GLU  93          1HB       GLU  93  -1.007  12.147   7.599
  488   2HB   GLU  93          2HB       GLU  93  -1.160  13.358   6.333
  489   1HG   GLU  93          1HG       GLU  93  -3.586  12.830   6.209
  490   2HG   GLU  93          2HG       GLU  93  -3.377  11.762   7.594
  491    H    TYR  94           H        TYR  94  -3.138  10.036   4.380
  492    HA   TYR  94           HA       TYR  94  -3.999  12.128   2.642
  493   1HB   TYR  94          1HB       TYR  94  -1.681  11.030   1.772
  494   2HB   TYR  94          2HB       TYR  94  -2.839   9.939   1.019
  495    HD1  TYR  94           HD1      TYR  94  -1.074  11.538  -0.646
  496    HD2  TYR  94           HD2      TYR  94  -4.843  12.568   1.028
  497    HE1  TYR  94           HE1      TYR  94  -1.416  13.175  -2.443
  498    HE2  TYR  94           HE2      TYR  94  -5.201  14.200  -0.772
  499    HH   TYR  94           HH       TYR  94  -3.289  14.304  -3.574
  500    H    THR  95           H        THR  95  -5.494  11.187   0.911
  501    HA   THR  95           HA       THR  95  -7.085   9.109   2.221
  502    HB   THR  95           HB       THR  95  -8.012  11.178   1.939
  503    HG1  THR  95           HG1      THR  95  -9.192   9.085   1.732
  504   1HG2  THR  95          1HG2      THR  95  -7.607  10.683  -0.998
  505   2HG2  THR  95          2HG2      THR  95  -6.938  12.000  -0.035
  506   3HG2  THR  95          3HG2      THR  95  -8.675  11.912  -0.322
  507    H    PHE  96           H        PHE  96  -8.032   7.457   0.985
  508    HA   PHE  96           HA       PHE  96  -6.830   6.990  -1.667
  509   1HB   PHE  96          1HB       PHE  96  -7.739   5.048   0.458
  510   2HB   PHE  96          2HB       PHE  96  -7.385   4.566  -1.198
  511    HD1  PHE  96           HD1      PHE  96  -5.059   4.866  -2.082
  512    HD2  PHE  96           HD2      PHE  96  -6.032   5.385   2.030
  513    HE1  PHE  96           HE1      PHE  96  -2.681   4.632  -1.492
  514    HE2  PHE  96           HE2      PHE  96  -3.658   5.153   2.626
  515    HZ   PHE  96           HZ       PHE  96  -1.969   4.777   0.828
  516    H    ASP  97           H        ASP  97  -8.281   7.748  -3.047
  517    HA   ASP  97           HA       ASP  97 -11.097   7.022  -2.630
  518   1HB   ASP  97          1HB       ASP  97 -11.670   9.041  -3.933
  519   2HB   ASP  97          2HB       ASP  97 -10.751   9.423  -2.482
  520    H    TYR  98           H        TYR  98 -11.686   5.414  -3.871
  521    HA   TYR  98           HA       TYR  98 -11.696   5.592  -6.678
  522   1HB   TYR  98          1HB       TYR  98  -9.289   4.985  -6.425
  523   2HB   TYR  98          2HB       TYR  98  -9.776   3.508  -5.601
  524    HD1  TYR  98           HD1      TYR  98  -9.909   1.569  -6.858
  525    HD2  TYR  98           HD2      TYR  98 -10.437   5.321  -8.798
  526    HE1  TYR  98           HE1      TYR  98 -10.106   0.419  -9.026
  527    HE2  TYR  98           HE2      TYR  98 -10.630   4.183 -10.966
  528    HH   TYR  98           HH       TYR  98  -9.994   2.078 -12.004
  529    H    GLN  99           H        GLN  99 -11.146   2.655  -4.807
  530    HA   GLN  99           HA       GLN  99 -13.875   1.803  -5.407
  531   1HB   GLN  99          1HB       GLN  99 -13.030  -0.407  -4.390
  532   2HB   GLN  99          2HB       GLN  99 -12.405   0.068  -5.960
  533   1HG   GLN  99          1HG       GLN  99 -10.352   0.843  -4.939
  534   2HG   GLN  99          2HG       GLN  99 -10.982   0.464  -3.335
  535   1HE2  GLN  99          1HE2      GLN  99  -8.638  -0.512  -4.863
  536   2HE2  GLN  99          2HE2      GLN  99  -8.780  -2.231  -4.867
  537    H    MET 100           H        MET 100 -11.678   2.257  -2.670
  538    HA   MET 100           HA       MET 100 -13.819   2.046  -0.754
  539   1HB   MET 100          1HB       MET 100 -11.465   1.468  -0.171
  540   2HB   MET 100          2HB       MET 100 -11.019   3.153  -0.415
  541   1HG   MET 100          1HG       MET 100 -12.473   3.826   1.407
  542   2HG   MET 100          2HG       MET 100 -12.988   2.158   1.634
  543   1HE   MET 100          1HE       MET 100  -9.955   4.671   1.862
  544   2HE   MET 100          2HE       MET 100  -9.363   3.407   0.785
  545   3HE   MET 100          3HE       MET 100  -8.664   3.593   2.393
  546    H    THR 101           H        THR 101 -15.202   3.637  -0.272
  547    HA   THR 101           HA       THR 101 -15.254   6.105  -1.571
  548    HB   THR 101           HB       THR 101 -16.272   5.510   1.049
  549    HG1  THR 101           HG1      THR 101 -17.277   4.911  -1.560
  550   1HG2  THR 101          1HG2      THR 101 -17.192   7.313  -1.184
  551   2HG2  THR 101          2HG2      THR 101 -16.458   7.842   0.329
  552   3HG2  THR 101          3HG2      THR 101 -18.030   7.043   0.346
  553    HA   PRO 102           HA       PRO 102 -11.676   8.259  -0.323
  554   1HB   PRO 102          1HB       PRO 102 -13.676  10.391   0.300
  555   2HB   PRO 102          2HB       PRO 102 -12.152  10.504  -0.583
  556   1HG   PRO 102          1HG       PRO 102 -14.649  10.240  -1.754
  557   2HG   PRO 102          2HG       PRO 102 -13.109   9.864  -2.541
  558   1HD   PRO 102          1HD       PRO 102 -15.195   8.051  -1.850
  559   2HD   PRO 102          2HD       PRO 102 -13.599   7.656  -2.516
  560    H    THR 103           H        THR 103 -11.244   6.993   1.550
  561    HA   THR 103           HA       THR 103 -11.995   8.334   4.065
  562    HB   THR 103           HB       THR 103 -10.625   5.831   3.746
  563    HG1  THR 103           HG1      THR 103 -12.999   6.295   2.843
  564   1HG2  THR 103          1HG2      THR 103 -11.552   5.460   5.978
  565   2HG2  THR 103          2HG2      THR 103 -12.245   7.080   5.958
  566   3HG2  THR 103          3HG2      THR 103 -10.494   6.871   5.939
  567    H    LYS 104           H        LYS 104 -10.325   9.019   5.479
  568    HA   LYS 104           HA       LYS 104  -7.721   9.264   4.134
  569   1HB   LYS 104          1HB       LYS 104  -8.733  11.410   4.664
  570   2HB   LYS 104          2HB       LYS 104  -8.957  10.924   6.340
  571   1HG   LYS 104          1HG       LYS 104  -6.538  10.821   6.644
  572   2HG   LYS 104          2HG       LYS 104  -6.303  11.292   4.961
  573   1HD   LYS 104          1HD       LYS 104  -7.799  12.974   6.958
  574   2HD   LYS 104          2HD       LYS 104  -6.069  13.132   6.662
  575   1HE   LYS 104          1HE       LYS 104  -6.487  13.676   4.336
  576   2HE   LYS 104          2HE       LYS 104  -8.218  13.439   4.570
  577   1HZ   LYS 104          1HZ       LYS 104  -6.617  15.461   6.035
  578   2HZ   LYS 104          2HZ       LYS 104  -8.305  15.303   6.022
  579   3HZ   LYS 104          3HZ       LYS 104  -7.489  15.796   4.620
  580    H    VAL 105           H        VAL 105  -6.101   8.136   4.866
  581    HA   VAL 105           HA       VAL 105  -6.176   7.199   7.649
  582    HB   VAL 105           HB       VAL 105  -5.043   5.326   6.990
  583   1HG1  VAL 105          1HG1      VAL 105  -7.453   5.290   7.291
  584   2HG1  VAL 105          2HG1      VAL 105  -6.978   4.222   5.972
  585   3HG1  VAL 105          3HG1      VAL 105  -7.684   5.799   5.619
  586   1HG2  VAL 105          1HG2      VAL 105  -4.004   6.114   4.950
  587   2HG2  VAL 105          2HG2      VAL 105  -5.589   6.266   4.190
  588   3HG2  VAL 105          3HG2      VAL 105  -4.981   4.676   4.649
  589    H    LYS 106           H        LYS 106  -4.016   6.614   8.483
  590    HA   LYS 106           HA       LYS 106  -1.904   8.242   7.250
  591   1HB   LYS 106          1HB       LYS 106  -2.352   8.707   9.638
  592   2HB   LYS 106          2HB       LYS 106  -2.028   7.021  10.021
  593   1HG   LYS 106          1HG       LYS 106   0.263   7.240   9.462
  594   2HG   LYS 106          2HG       LYS 106   0.001   8.824   8.731
  595   1HD   LYS 106          1HD       LYS 106  -0.354   8.164  11.654
  596   2HD   LYS 106          2HD       LYS 106   1.044   8.986  10.954
  597   1HE   LYS 106          1HE       LYS 106  -0.485  10.765  10.137
  598   2HE   LYS 106          2HE       LYS 106  -1.810   9.961  10.981
  599   1HZ   LYS 106          1HZ       LYS 106  -0.926  11.759  12.300
  600   2HZ   LYS 106          2HZ       LYS 106   0.632  11.097  12.234
  601   3HZ   LYS 106          3HZ       LYS 106  -0.599  10.280  13.068
  602    H    VAL 107           H        VAL 107  -0.440   7.196   6.094
  603    HA   VAL 107           HA       VAL 107  -0.561   4.277   6.232
  604    HB   VAL 107           HB       VAL 107  -1.329   5.107   4.329
  605   1HG1  VAL 107          1HG1      VAL 107   1.295   6.557   4.063
  606   2HG1  VAL 107          2HG1      VAL 107  -0.306   7.282   4.206
  607   3HG1  VAL 107          3HG1      VAL 107   0.120   6.359   2.766
  608   1HG2  VAL 107          1HG2      VAL 107  -0.129   3.041   4.222
  609   2HG2  VAL 107          2HG2      VAL 107   1.398   3.903   4.036
  610   3HG2  VAL 107          3HG2      VAL 107   0.178   3.988   2.765
  611    H    HIS 108           H        HIS 108   1.071   3.270   6.992
  612    HA   HIS 108           HA       HIS 108   3.641   4.667   7.205
  613   1HB   HIS 108          1HB       HIS 108   2.637   3.948   9.329
  614   2HB   HIS 108          2HB       HIS 108   2.563   2.292   8.746
  615    HD1  HIS 108           HD1      HIS 108   4.024   1.457  10.689
  616    HD2  HIS 108           HD2      HIS 108   5.900   4.291   8.283
  617    HE1  HIS 108           HE1      HIS 108   6.462   1.385  11.318
  618    HE2  HIS 108           HE2      HIS 108   7.541   3.228   9.986
  619    H    MET 109           H        MET 109   4.862   4.215   5.544
  620    HA   MET 109           HA       MET 109   4.885   1.484   4.434
  621   1HB   MET 109          1HB       MET 109   4.373   3.299   2.836
  622   2HB   MET 109          2HB       MET 109   5.885   4.092   3.245
  623   1HG   MET 109          1HG       MET 109   6.239   2.995   1.187
  624   2HG   MET 109          2HG       MET 109   7.058   2.025   2.412
  625   1HE   MET 109          1HE       MET 109   3.254   2.313   1.341
  626   2HE   MET 109          2HE       MET 109   3.135   0.920   0.266
  627   3HE   MET 109          3HE       MET 109   4.182   2.274  -0.157
  628    H    LYS 110           H        LYS 110   6.679   0.264   4.811
  629    HA   LYS 110           HA       LYS 110   9.091   1.645   5.679
  630   1HB   LYS 110          1HB       LYS 110   9.276   0.469   7.766
  631   2HB   LYS 110          2HB       LYS 110   7.751   1.337   7.726
  632   1HG   LYS 110          1HG       LYS 110   6.535  -0.677   7.332
  633   2HG   LYS 110          2HG       LYS 110   8.030  -1.593   7.116
  634   1HD   LYS 110          1HD       LYS 110   7.171  -0.203   9.646
  635   2HD   LYS 110          2HD       LYS 110   7.049  -1.939   9.345
  636   1HE   LYS 110          1HE       LYS 110   9.564  -0.283   9.522
  637   2HE   LYS 110          2HE       LYS 110   9.016  -1.507  10.665
  638   1HZ   LYS 110          1HZ       LYS 110  10.725  -2.415   9.259
  639   2HZ   LYS 110          2HZ       LYS 110   9.877  -1.982   7.862
  640   3HZ   LYS 110          3HZ       LYS 110   9.253  -3.173   8.892
  641    H    LYS 111           H        LYS 111  10.959   0.370   5.633
  642    HA   LYS 111           HA       LYS 111  10.775  -1.519   3.467
  643   1HB   LYS 111          1HB       LYS 111  12.519   0.378   3.860
  644   2HB   LYS 111          2HB       LYS 111  13.301  -0.777   4.927
  645   1HG   LYS 111          1HG       LYS 111  13.325  -2.372   2.969
  646   2HG   LYS 111          2HG       LYS 111  12.840  -0.992   1.976
  647   1HD   LYS 111          1HD       LYS 111  14.832   0.214   2.579
  648   2HD   LYS 111          2HD       LYS 111  15.293  -1.044   3.727
  649   1HE   LYS 111          1HE       LYS 111  16.601  -1.347   1.762
  650   2HE   LYS 111          2HE       LYS 111  15.406  -2.639   1.819
  651   1HZ   LYS 111          1HZ       LYS 111  15.427  -0.253   0.072
  652   2HZ   LYS 111          2HZ       LYS 111  14.039  -1.187   0.293
  653   3HZ   LYS 111          3HZ       LYS 111  15.424  -1.887  -0.381
  654    H    ALA 112           H        ALA 112  11.332  -3.641   3.493
  655    HA   ALA 112           HA       ALA 112  12.503  -4.823   5.888
  656   1HB   ALA 112          1HB       ALA 112  10.014  -5.918   4.565
  657   2HB   ALA 112          2HB       ALA 112  10.088  -5.167   6.159
  658   3HB   ALA 112          3HB       ALA 112  10.918  -6.694   5.864
  659    H    LEU 113           H        LEU 113  13.377  -7.030   5.355
  660    HA   LEU 113           HA       LEU 113  14.547  -6.887   2.717
  661   1HB   LEU 113          1HB       LEU 113  15.051  -8.637   5.101
  662   2HB   LEU 113          2HB       LEU 113  15.754  -9.014   3.541
  663    HG   LEU 113           HG       LEU 113  16.813  -6.732   3.554
  664   1HD1  LEU 113          1HD1      LEU 113  15.352  -5.636   5.162
  665   2HD1  LEU 113          2HD1      LEU 113  17.031  -5.584   5.702
  666   3HD1  LEU 113          3HD1      LEU 113  15.906  -6.731   6.429
  667   1HD2  LEU 113          1HD2      LEU 113  18.067  -8.738   4.118
  668   2HD2  LEU 113          2HD2      LEU 113  17.555  -8.595   5.800
  669   3HD2  LEU 113          3HD2      LEU 113  18.598  -7.365   5.087
  670    H    SER 114           H        SER 114  14.232 -10.118   3.732
  671    HA   SER 114           HA       SER 114  13.302 -11.918   2.671
  672   1HB   SER 114          1HB       SER 114  10.896 -10.076   2.487
  673   2HB   SER 114          2HB       SER 114  10.870 -11.838   2.400
  674    HG   SER 114           HG       SER 114  11.536 -11.934   4.538
  675    H    GLY 115           H        GLY 115  14.872 -10.313   1.076
  676   1HA   GLY 115          1HA       GLY 115  15.152 -10.441  -1.342
  677   2HA   GLY 115          2HA       GLY 115  13.427 -10.132  -1.493
  678    H    ASP 116           H        ASP 116  12.649  -8.092  -1.265
  679    HA   ASP 116           HA       ASP 116  13.892  -5.992   0.072
  680   1HB   ASP 116          1HB       ASP 116  15.462  -6.018  -1.882
  681   2HB   ASP 116          2HB       ASP 116  14.091  -5.686  -2.937
  682    H    SER 117           H        SER 117  11.828  -5.826   0.867
  683    HA   SER 117           HA       SER 117   9.877  -4.689  -0.953
  684   1HB   SER 117          1HB       SER 117   8.124  -6.118   0.341
  685   2HB   SER 117          2HB       SER 117   9.054  -6.875  -0.957
  686    HG   SER 117           HG       SER 117  10.546  -7.296   1.054
  687    H    TYR 118           H        TYR 118   7.780  -4.133   0.590
  688    HA   TYR 118           HA       TYR 118   8.828  -2.720   2.929
  689   1HB   TYR 118          1HB       TYR 118   7.028  -1.644   0.739
  690   2HB   TYR 118          2HB       TYR 118   7.305  -0.830   2.277
  691    HD1  TYR 118           HD1      TYR 118   8.692  -1.703  -0.949
  692    HD2  TYR 118           HD2      TYR 118   9.479   0.153   2.783
  693    HE1  TYR 118           HE1      TYR 118  10.664  -0.604  -1.925
  694    HE2  TYR 118           HE2      TYR 118  11.455   1.271   1.821
  695    HH   TYR 118           HH       TYR 118  13.014   0.951  -0.065
  696    H    TRP 119           H        TRP 119   7.429  -2.634   4.613
  697    HA   TRP 119           HA       TRP 119   4.910  -4.109   4.339
  698   1HB   TRP 119          1HB       TRP 119   6.719  -3.506   6.657
  699   2HB   TRP 119          2HB       TRP 119   5.016  -3.849   6.943
  700    HD1  TRP 119           HD1      TRP 119   8.187  -5.531   5.542
  701    HE1  TRP 119           HE1      TRP 119   7.889  -8.077   5.724
  702    HE3  TRP 119           HE3      TRP 119   3.347  -5.655   7.141
  703    HZ2  TRP 119           HZ2      TRP 119   5.856  -9.907   6.456
  704    HZ3  TRP 119           HZ3      TRP 119   2.290  -7.834   7.562
  705    HH2  TRP 119           HH2      TRP 119   3.521  -9.919   7.226
  706    H    VAL 120           H        VAL 120   3.363  -2.738   3.741
  707    HA   VAL 120           HA       VAL 120   3.385  -0.099   5.000
  708    HB   VAL 120           HB       VAL 120   3.238  -0.469   2.671
  709   1HG1  VAL 120          1HG1      VAL 120   0.411  -1.236   3.401
  710   2HG1  VAL 120          2HG1      VAL 120   1.606  -2.263   2.609
  711   3HG1  VAL 120          3HG1      VAL 120   0.979  -0.837   1.780
  712   1HG2  VAL 120          1HG2      VAL 120   2.812   1.633   3.803
  713   2HG2  VAL 120          2HG2      VAL 120   1.133   1.160   4.071
  714   3HG2  VAL 120          3HG2      VAL 120   1.729   1.409   2.430
  715    H    PHE 121           H        PHE 121   1.720   0.727   6.167
  716    HA   PHE 121           HA       PHE 121  -0.444  -1.107   6.947
  717   1HB   PHE 121          1HB       PHE 121   1.135   0.636   8.860
  718   2HB   PHE 121          2HB       PHE 121  -0.178  -0.454   9.280
  719    HD1  PHE 121           HD1      PHE 121   3.350  -0.154   8.542
  720    HD2  PHE 121           HD2      PHE 121   0.160  -2.892   9.192
  721    HE1  PHE 121           HE1      PHE 121   4.979  -1.961   8.899
  722    HE2  PHE 121           HE2      PHE 121   1.785  -4.704   9.551
  723    HZ   PHE 121           HZ       PHE 121   4.199  -4.224   9.475
  724    H    VAL 122           H        VAL 122  -2.370  -0.168   6.697
  725    HA   VAL 122           HA       VAL 122  -2.462   2.767   6.579
  726    HB   VAL 122           HB       VAL 122  -4.650   2.344   5.681
  727   1HG1  VAL 122          1HG1      VAL 122  -2.714   3.208   4.475
  728   2HG1  VAL 122          2HG1      VAL 122  -3.633   2.085   3.472
  729   3HG1  VAL 122          3HG1      VAL 122  -2.128   1.563   4.227
  730   1HG2  VAL 122          1HG2      VAL 122  -4.887   0.232   4.486
  731   2HG2  VAL 122          2HG2      VAL 122  -4.860  -0.020   6.231
  732   3HG2  VAL 122          3HG2      VAL 122  -3.428  -0.378   5.267
  733    H    LYS 123           H        LYS 123  -2.879   3.543   8.548
  734    HA   LYS 123           HA       LYS 123  -5.029   2.292  10.115
  735   1HB   LYS 123          1HB       LYS 123  -2.784   2.649  11.196
  736   2HB   LYS 123          2HB       LYS 123  -3.037   4.381  11.018
  737   1HG   LYS 123          1HG       LYS 123  -5.198   4.017  12.328
  738   2HG   LYS 123          2HG       LYS 123  -4.532   2.435  12.736
  739   1HD   LYS 123          1HD       LYS 123  -3.935   3.859  14.512
  740   2HD   LYS 123          2HD       LYS 123  -2.474   3.666  13.546
  741   1HE   LYS 123          1HE       LYS 123  -2.703   5.983  14.151
  742   2HE   LYS 123          2HE       LYS 123  -2.987   5.811  12.421
  743   1HZ   LYS 123          1HZ       LYS 123  -5.116   6.029  14.486
  744   2HZ   LYS 123          2HZ       LYS 123  -5.357   5.941  12.810
  745   3HZ   LYS 123          3HZ       LYS 123  -4.594   7.295  13.483
  746    H    ARG 124           H        ARG 124  -6.956   3.246  10.088
  747    HA   ARG 124           HA       ARG 124  -7.513   5.579   8.660
  748   1HB   ARG 124          1HB       ARG 124  -9.182   3.843   9.108
  749   2HB   ARG 124          2HB       ARG 124  -9.144   4.231  10.821
  750   1HG   ARG 124          1HG       ARG 124  -9.773   6.473   9.020
  751   2HG   ARG 124          2HG       ARG 124 -10.974   5.184   9.102
  752   1HD   ARG 124          1HD       ARG 124 -11.330   5.501  11.386
  753   2HD   ARG 124          2HD       ARG 124  -9.817   6.383  11.594
  754    HE   ARG 124           HE       ARG 124 -10.819   8.286  10.565
  755   1HH1  ARG 124          1HH1      ARG 124 -13.052   5.664  11.226
  756   2HH1  ARG 124          2HH1      ARG 124 -14.460   6.680  11.143
  757   1HH2  ARG 124          1HH2      ARG 124 -12.652   9.617  10.453
  758   2HH2  ARG 124          2HH2      ARG 124 -14.238   8.938  10.706
  759    H    VAL 125           H        VAL 125  -7.806   7.685   9.205
  760    HA   VAL 125           HA       VAL 125  -6.840   8.512  11.847
  761    HB   VAL 125           HB       VAL 125  -7.467  10.051   9.498
  762   1HG1  VAL 125          1HG1      VAL 125  -7.607  11.325  11.562
  763   2HG1  VAL 125          2HG1      VAL 125  -6.137  11.752  10.685
  764   3HG1  VAL 125          3HG1      VAL 125  -6.050  10.683  12.085
  765   1HG2  VAL 125          1HG2      VAL 125  -5.662   8.480   9.071
  766   2HG2  VAL 125          2HG2      VAL 125  -4.845   9.012  10.542
  767   3HG2  VAL 125          3HG2      VAL 125  -5.057  10.131   9.195
  768    H2   HC4 169           H2       HC4 169  -6.763   4.120  -2.977
  769    H3   HC4 169           H3       HC4 169  -7.186   1.768  -4.760
  770    H2'  HC4 169           H2'      HC4 169  -7.382  -0.405  -3.469
  771    H3'  HC4 169           H3'      HC4 169  -7.803  -1.626  -1.377
  772    H5'  HC4 169           H5'      HC4 169  -7.224   1.983   0.805
  773    H6'  HC4 169           H6'      HC4 169  -6.985   3.216  -1.306