*HEADER    SIGNALING PROTEIN                       15-SEP-04   1XFQ              
*TITLE     STRUCTURE OF THE BLUE SHIFTED INTERMEDIATE STATE OF THE               
*TITLE    2 PHOTOACTIVE YELLOW 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 1XFQ    1       REVISED CONSTRAINT FILE                  
*REVDAT   1   16-AUG-05 1XFQ    0                                                


! Unambiguous restraints from final ARIA run
! ==========================================
 ASSI {    2}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HZ2 ))
      2.200     0.600     0.600 peak     2 spectrum    1 weight  0.11000E+01 volume  0.37422E-02 ppm1     10.367 ppm2      7.320 CV     1
 ASSI {    5}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 32   and name HE22))
      4.100     2.100     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.16363E-03 ppm1     10.367 ppm2      6.639 CV     1
 ASSI {    7}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 112  and name HA  ))
      2.200     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.57524E-03 ppm1     10.367 ppm2      4.450 CV     1
 ASSI {    8}
   (( segid "    " and resid 119  and name HE1 ))
   (  segid "    " and resid 112  and name HB% )
      1.900     0.500     0.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.23066E-02 ppm1     10.367 ppm2      1.459 CV     1
 ASSI {    9}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.500     1.500     1.500 peak     9 spectrum    1 weight  0.11000E+01 volume  0.33030E-02 ppm1      9.652 ppm2      1.697 CV     1
 ASSI {   10}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.300     2.400     1.700 peak    10 spectrum    1 weight  0.11000E+01 volume  0.40114E-03 ppm1      9.652 ppm2      1.323 CV     1
 ASSI {   11}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      5.200     3.400     0.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.39350E-03 ppm1      9.652 ppm2      1.219 CV     1
 ASSI {   14}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      1.800     0.400     0.400 peak    14 spectrum    1 weight  0.11000E+01 volume  0.58441E-02 ppm1      9.652 ppm2      4.387 CV     1
 ASSI {   21}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.11000E+01 volume  0.12506E-02 ppm1      9.575 ppm2      4.342 CV     1
 ASSI {   24}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      1.500     0.300     0.700 peak    24 spectrum    1 weight  0.11000E+01 volume  0.44803E-02 ppm1      9.574 ppm2      4.018 CV     1
 ASSI {   32}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      1.500     0.300     0.700 peak    32 spectrum    1 weight  0.11000E+01 volume  0.53922E-02 ppm1      9.549 ppm2      5.829 CV     1
 ASSI {   33}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.400     0.700     0.700 peak    33 spectrum    1 weight  0.11000E+01 volume  0.10832E-02 ppm1      9.549 ppm2      5.178 CV     1
 ASSI {   34}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      4.700     2.800     1.300 peak    34 spectrum    1 weight  0.11000E+01 volume  0.19878E-03 ppm1      9.549 ppm2      4.796 CV     1
 ASSI {   38}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.800     0.800 peak    38 spectrum    1 weight  0.11000E+01 volume  0.93100E-03 ppm1      9.448 ppm2      5.455 CV     1
 ASSI {   39}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      1.500     0.300     0.700 peak    39 spectrum    1 weight  0.11000E+01 volume  0.41462E-02 ppm1      9.448 ppm2      4.075 CV     1
 ASSI {   43}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      3.800     1.800     1.800 peak    43 spectrum    1 weight  0.11000E+01 volume  0.13346E-02 ppm1      9.450 ppm2      0.726 CV     1
 OR {   43}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {   44}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.000     0.500     0.500 peak    44 spectrum    1 weight  0.11000E+01 volume  0.21080E-02 ppm1      9.448 ppm2      5.138 CV     1
 ASSI {   48}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 121  and name HD% )
      2.600     0.800     0.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.13106E-02 ppm1      9.434 ppm2      7.246 CV     1
 ASSI {   49}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.11349E-02 ppm1      9.434 ppm2      5.829 CV     1
 ASSI {   50}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.11000E+01 volume  0.96345E-03 ppm1      9.434 ppm2      5.510 CV     1
 ASSI {   53}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      1.700     0.300     0.500 peak    53 spectrum    1 weight  0.11000E+01 volume  0.22912E-02 ppm1      9.433 ppm2      4.796 CV     1
 ASSI {   55}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.300     1.300     1.300 peak    55 spectrum    1 weight  0.11000E+01 volume  0.12761E-02 ppm1      9.434 ppm2      3.201 CV     1
 ASSI {   59}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak    59 spectrum    1 weight  0.11000E+01 volume  0.13790E-02 ppm1      9.400 ppm2      5.829 CV     1
 ASSI {   61}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.300     3.300     2.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.61491E-03 ppm1      9.400 ppm2      1.231 CV     1
 ASSI {   70}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      1.500     0.300     0.700 peak    70 spectrum    1 weight  0.11000E+01 volume  0.25743E-02 ppm1      9.388 ppm2      4.869 CV     1
 ASSI {   71}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.11000E+01 volume  0.13646E-02 ppm1      9.388 ppm2      2.741 CV     1
 ASSI {   72}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      1.800     0.400     0.400 peak    72 spectrum    1 weight  0.11000E+01 volume  0.15333E-02 ppm1      9.391 ppm2      2.582 CV     1
 ASSI {   76}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      1.700     0.400     0.500 peak    76 spectrum    1 weight  0.11000E+01 volume  0.19969E-02 ppm1      9.381 ppm2      2.741 CV     1
 ASSI {   77}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.000     1.100     1.100 peak    77 spectrum    1 weight  0.11000E+01 volume  0.10072E-02 ppm1      9.381 ppm2      2.582 CV     1
 ASSI {   80}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      1.400     0.300     0.800 peak    80 spectrum    1 weight  0.11000E+01 volume  0.55802E-02 ppm1      9.381 ppm2      5.139 CV     1
 ASSI {   81}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
      2.000     0.500     0.500 peak    81 spectrum    1 weight  0.11000E+01 volume  0.20086E-02 ppm1      9.381 ppm2      1.552 CV     1
 ASSI {   86}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.11000E+01 volume  0.13292E-02 ppm1      9.240 ppm2      3.752 CV     1
 ASSI {   89}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak    89 spectrum    1 weight  0.11000E+01 volume  0.10381E-02 ppm1      9.286 ppm2      4.561 CV     1
 ASSI {   90}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      3.600     1.600     1.600 peak    90 spectrum    1 weight  0.11000E+01 volume  0.13330E-02 ppm1      9.286 ppm2      1.549 CV     1
 ASSI {   91}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      2.800     1.000     1.000 peak    91 spectrum    1 weight  0.11000E+01 volume  0.96433E-03 ppm1      9.286 ppm2      1.401 CV     1
 ASSI {   95}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.300     2.300     1.700 peak    95 spectrum    1 weight  0.11000E+01 volume  0.73495E-03 ppm1      9.256 ppm2      8.914 CV     1
 ASSI {   96}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.200     0.600     0.600 peak    96 spectrum    1 weight  0.11000E+01 volume  0.49102E-02 ppm1      9.255 ppm2      5.263 CV     1
 ASSI {  115}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      1.900     0.400     0.400 peak   115 spectrum    1 weight  0.11000E+01 volume  0.70433E-02 ppm1      9.239 ppm2      5.000 CV     1
 ASSI {  116}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   116 spectrum    1 weight  0.11000E+01 volume  0.23564E-02 ppm1      9.241 ppm2      3.752 CV     1
 ASSI {  117}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.600     2.600     1.400 peak   117 spectrum    1 weight  0.11000E+01 volume  0.16046E-02 ppm1      9.239 ppm2      2.752 CV     1
 ASSI {  118}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB2 ))
      4.700     2.800     1.300 peak   118 spectrum    1 weight  0.11000E+01 volume  0.54807E-03 ppm1      9.240 ppm2      2.164 CV     1
 OR {  118}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
 ASSI {  125}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      4.600     2.600     1.400 peak   125 spectrum    1 weight  0.11000E+01 volume  0.92003E-03 ppm1      9.216 ppm2      0.639 CV     1
 ASSI {  126}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.900     1.000     1.000 peak   126 spectrum    1 weight  0.11000E+01 volume  0.68728E-03 ppm1      9.216 ppm2      5.746 CV     1
 ASSI {  128}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      2.900     1.100     1.100 peak   128 spectrum    1 weight  0.11000E+01 volume  0.84236E-03 ppm1      9.216 ppm2      3.450 CV     1
 ASSI {  130}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.000     1.200     1.200 peak   130 spectrum    1 weight  0.11000E+01 volume  0.12170E-02 ppm1      9.216 ppm2      3.078 CV     1
 ASSI {  132}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak   132 spectrum    1 weight  0.11000E+01 volume  0.47610E-02 ppm1      9.211 ppm2      5.002 CV     1
 ASSI {  133}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      4.900     3.000     1.100 peak   133 spectrum    1 weight  0.11000E+01 volume  0.32661E-03 ppm1      9.211 ppm2      3.299 CV     1
 ASSI {  134}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.200     2.200     1.800 peak   134 spectrum    1 weight  0.11000E+01 volume  0.46239E-03 ppm1      9.211 ppm2      3.166 CV     1
 ASSI {  144}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.11000E+01 volume  0.17693E-02 ppm1      9.138 ppm2      5.177 CV     1
 ASSI {  145}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.11000E+01 volume  0.18258E-02 ppm1      9.138 ppm2      9.397 CV     1
 ASSI {  151}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      6.000     6.000     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.10146E-03 ppm1      9.138 ppm2      1.493 CV     1
 OR {  151}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI {  153}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      4.900     3.000     1.100 peak   153 spectrum    1 weight  0.10000E+01 volume  0.40864E-03 ppm1      9.138 ppm2      1.052 CV     1
 ASSI {  154}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      1.800     0.400     0.400 peak   154 spectrum    1 weight  0.11000E+01 volume  0.31120E-02 ppm1      9.125 ppm2      8.907 CV     1
 ASSI {  155}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD1 ))
      4.000     2.000     2.000 peak   155 spectrum    1 weight  0.11000E+01 volume  0.27014E-02 ppm1      9.118 ppm2      1.639 CV     1
 OR {  155}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD2 ))
 ASSI {  157}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      1.600     0.300     0.600 peak   157 spectrum    1 weight  0.11000E+01 volume  0.79947E-02 ppm1      9.118 ppm2      5.263 CV     1
 ASSI {  158}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.300     0.600     0.600 peak   158 spectrum    1 weight  0.11000E+01 volume  0.21198E-02 ppm1      9.118 ppm2      4.946 CV     1
 ASSI {  161}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.11000E+01 volume  0.29307E-02 ppm1      9.118 ppm2      1.795 CV     1
 OR {  161}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {  162}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG1 ))
      3.400     1.500     1.500 peak   162 spectrum    1 weight  0.11000E+01 volume  0.12127E-02 ppm1      9.118 ppm2      1.362 CV     1
 OR {  162}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
 ASSI {  163}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.700     1.700     1.700 peak   163 spectrum    1 weight  0.11000E+01 volume  0.17867E-02 ppm1      9.118 ppm2      0.902 CV     1
 ASSI {  164}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.400     1.500     1.500 peak   164 spectrum    1 weight  0.11000E+01 volume  0.22879E-02 ppm1      9.118 ppm2      0.796 CV     1
 ASSI {  166}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      4.800     2.800     1.200 peak   166 spectrum    1 weight  0.10000E+01 volume  0.60826E-03 ppm1      9.084 ppm2      7.124 CV     1
 ASSI {  167}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      1.600     0.300     0.600 peak   167 spectrum    1 weight  0.11000E+01 volume  0.81113E-02 ppm1      9.084 ppm2      5.357 CV     1
 ASSI {  168}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.11000E+01 volume  0.19724E-02 ppm1      9.084 ppm2      4.944 CV     1
 ASSI {  190}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      1.500     0.300     0.700 peak   190 spectrum    1 weight  0.11000E+01 volume  0.71411E-02 ppm1      9.057 ppm2      5.510 CV     1
 ASSI {  191}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      2.800     1.000     1.000 peak   191 spectrum    1 weight  0.11000E+01 volume  0.12623E-02 ppm1      9.057 ppm2      5.029 CV     1
 ASSI {  194}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.100     0.500     0.500 peak   194 spectrum    1 weight  0.11000E+01 volume  0.30471E-02 ppm1      9.066 ppm2      5.782 CV     1
 ASSI {  199}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      1.500     0.300     0.700 peak   199 spectrum    1 weight  0.11000E+01 volume  0.72041E-02 ppm1      9.034 ppm2      4.947 CV     1
 ASSI {  203}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      3.500     1.600     1.600 peak   203 spectrum    1 weight  0.11000E+01 volume  0.17709E-02 ppm1      9.034 ppm2      0.718 CV     1
 ASSI {  206}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.11000E+01 volume  0.22077E-02 ppm1      9.015 ppm2      4.341 CV     1
 ASSI {  207}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.11000E+01 volume  0.33211E-02 ppm1      9.015 ppm2      3.671 CV     1
 ASSI {  211}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      1.800     0.400     0.400 peak   211 spectrum    1 weight  0.11000E+01 volume  0.48591E-02 ppm1      9.015 ppm2      3.401 CV     1
 ASSI {  217}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.300     2.300     1.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.10775E-02 ppm1      8.969 ppm2      8.043 CV     1
 ASSI {  219}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.11000E+01 volume  0.23256E-02 ppm1      8.969 ppm2      5.021 CV     1
 ASSI {  223}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   223 spectrum    1 weight  0.11000E+01 volume  0.16940E-02 ppm1      8.969 ppm2      2.235 CV     1
 ASSI {  224}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      1.900     0.500     0.500 peak   224 spectrum    1 weight  0.11000E+01 volume  0.42528E-02 ppm1      8.967 ppm2      8.677 CV     1
 ASSI {  225}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      4.200     2.200     1.800 peak   225 spectrum    1 weight  0.11000E+01 volume  0.13538E-02 ppm1      8.969 ppm2      4.432 CV     1
 ASSI {  229}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      1.900     0.400     0.400 peak   229 spectrum    1 weight  0.11000E+01 volume  0.20252E-02 ppm1      8.929 ppm2      4.321 CV     1
 ASSI {  231}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.500     1.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      8.929 ppm2      1.052 CV     1
 ASSI {  237}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      1.700     0.400     0.500 peak   237 spectrum    1 weight  0.11000E+01 volume  0.11022E-01 ppm1      8.914 ppm2      4.450 CV     1
 ASSI {  240}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      5.300     3.500     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.42039E-03 ppm1      9.078 ppm2      8.660 CV     1
 ASSI {  242}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HD1 ))
      5.700     4.100     0.300 peak   242 spectrum    1 weight  0.11000E+01 volume  0.49799E-03 ppm1      8.907 ppm2      1.651 CV     1
 ASSI {  249}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HA  ))
      1.600     0.300     0.600 peak   249 spectrum    1 weight  0.11000E+01 volume  0.80596E-02 ppm1      8.907 ppm2      5.029 CV     1
 ASSI {  250}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB  ))
      3.300     1.300     1.300 peak   250 spectrum    1 weight  0.11000E+01 volume  0.10917E-02 ppm1      8.907 ppm2      2.071 CV     1
 ASSI {  251}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HG1 ))
      3.700     1.700     1.700 peak   251 spectrum    1 weight  0.11000E+01 volume  0.15540E-02 ppm1      8.907 ppm2      1.890 CV     1
 OR {  251}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HG2 ))
 ASSI {  257}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      5.600     4.000     0.400 peak   257 spectrum    1 weight  0.10000E+01 volume  0.30334E-03 ppm1      8.861 ppm2      6.978 CV     1
 ASSI {  259}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   259 spectrum    1 weight  0.11000E+01 volume  0.81416E-03 ppm1      8.861 ppm2      5.290 CV     1
 ASSI {  260}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      2.900     1.100     1.100 peak   260 spectrum    1 weight  0.11000E+01 volume  0.18276E-02 ppm1      8.861 ppm2      2.360 CV     1
 OR {  260}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  264}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17362E-02 ppm1      8.833 ppm2      6.814 CV     1
 ASSI {  266}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      1.700     0.300     0.500 peak   266 spectrum    1 weight  0.11000E+01 volume  0.36642E-02 ppm1      8.833 ppm2      4.549 CV     1
 ASSI {  268}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.700     1.700     1.700 peak   268 spectrum    1 weight  0.11000E+01 volume  0.47738E-03 ppm1      8.833 ppm2      2.861 CV     1
 ASSI {  269}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.400     0.700     0.700 peak   269 spectrum    1 weight  0.11000E+01 volume  0.10829E-02 ppm1      8.833 ppm2      2.700 CV     1
 ASSI {  271}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   271 spectrum    1 weight  0.11000E+01 volume  0.92631E-03 ppm1      8.833 ppm2      9.448 CV     1
 ASSI {  273}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.900     1.900     1.900 peak   273 spectrum    1 weight  0.11000E+01 volume  0.29043E-03 ppm1      8.815 ppm2      4.118 CV     1
 ASSI {  276}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.000     0.500     0.500 peak   276 spectrum    1 weight  0.11000E+01 volume  0.19151E-02 ppm1      8.815 ppm2      4.453 CV     1
 ASSI {  278}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak   278 spectrum    1 weight  0.11000E+01 volume  0.19173E-02 ppm1      8.785 ppm2      8.045 CV     1
 ASSI {  279}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
      1.600     0.300     0.600 peak   279 spectrum    1 weight  0.11000E+01 volume  0.80453E-02 ppm1      8.785 ppm2      3.893 CV     1
 OR {  279}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
 ASSI {  281}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      1.700     0.400     0.500 peak   281 spectrum    1 weight  0.11000E+01 volume  0.35395E-02 ppm1      8.785 ppm2      5.069 CV     1
 ASSI {  286}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak   286 spectrum    1 weight  0.11000E+01 volume  0.82172E-03 ppm1      8.753 ppm2      8.967 CV     1
 ASSI {  289}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   289 spectrum    1 weight  0.11000E+01 volume  0.15904E-02 ppm1      8.753 ppm2      4.018 CV     1
 ASSI {  291}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      1.600     0.300     0.600 peak   291 spectrum    1 weight  0.11000E+01 volume  0.50708E-02 ppm1      8.753 ppm2      2.033 CV     1
 ASSI {  293}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      2.700     0.900     0.900 peak   293 spectrum    1 weight  0.11000E+01 volume  0.14810E-02 ppm1      8.753 ppm2      0.762 CV     1
 ASSI {  300}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.600     0.600 peak   300 spectrum    1 weight  0.11000E+01 volume  0.52793E-02 ppm1      8.678 ppm2      8.045 CV     1
 ASSI {  301}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      3.200     1.300     1.300 peak   301 spectrum    1 weight  0.11000E+01 volume  0.23508E-02 ppm1      8.678 ppm2      4.432 CV     1
 ASSI {  302}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
      3.600     1.600     1.600 peak   302 spectrum    1 weight  0.11000E+01 volume  0.54059E-03 ppm1      8.678 ppm2      3.893 CV     1
 OR {  302}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
 ASSI {  303}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      2.600     0.800     0.800 peak   303 spectrum    1 weight  0.11000E+01 volume  0.32956E-02 ppm1      8.678 ppm2      3.581 CV     1
 ASSI {  304}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.600     2.600     1.400 peak   304 spectrum    1 weight  0.11000E+01 volume  0.43552E-03 ppm1      8.678 ppm2      2.665 CV     1
 ASSI {  305}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.500     2.600     1.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.42720E-03 ppm1      8.678 ppm2      0.230 CV     1
 ASSI {  308}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.600     1.600     1.600 peak   308 spectrum    1 weight  0.11000E+01 volume  0.12909E-02 ppm1      8.678 ppm2      5.076 CV     1
 ASSI {  322}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   322 spectrum    1 weight  0.11000E+01 volume  0.22793E-02 ppm1      8.625 ppm2      4.213 CV     1
 ASSI {  328}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      1.600     0.300     0.600 peak   328 spectrum    1 weight  0.11000E+01 volume  0.64332E-02 ppm1      8.632 ppm2      4.963 CV     1
 ASSI {  330}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      3.400     1.500     1.500 peak   330 spectrum    1 weight  0.11000E+01 volume  0.13663E-02 ppm1      8.632 ppm2      1.796 CV     1
 ASSI {  331}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      2.600     0.900     0.900 peak   331 spectrum    1 weight  0.11000E+01 volume  0.19461E-02 ppm1      8.632 ppm2      1.388 CV     1
 OR {  331}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  343}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.900     3.100     1.100 peak   343 spectrum    1 weight  0.11000E+01 volume  0.12368E-02 ppm1      8.625 ppm2      8.388 CV     1
 ASSI {  349}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.200     2.200     1.800 peak   349 spectrum    1 weight  0.11000E+01 volume  0.22256E-02 ppm1      8.625 ppm2      2.295 CV     1
 OR {  349}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  350}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.400     1.500     1.500 peak   350 spectrum    1 weight  0.11000E+01 volume  0.29646E-02 ppm1      8.625 ppm2      2.017 CV     1
 ASSI {  356}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HG2 ))
      4.000     2.000     2.000 peak   356 spectrum    1 weight  0.11000E+01 volume  0.11749E-02 ppm1      8.632 ppm2      1.890 CV     1
 OR {  356}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HG1 ))
 ASSI {  357}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.100     1.200     1.200 peak   357 spectrum    1 weight  0.11000E+01 volume  0.15632E-02 ppm1      8.632 ppm2      1.299 CV     1
 ASSI {  381}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   381 spectrum    1 weight  0.11000E+01 volume  0.40906E-02 ppm1      8.582 ppm2      4.213 CV     1
 ASSI {  385}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.900     3.000     1.100 peak   385 spectrum    1 weight  0.11000E+01 volume  0.80935E-03 ppm1      8.582 ppm2      2.019 CV     1
 ASSI {  412}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 36   and name HB2 ))
      4.200     2.200     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      8.542 ppm2      2.661 CV     1
 ASSI {  413}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.11000E+01 volume  0.13318E-02 ppm1      8.541 ppm2      2.234 CV     1
 ASSI {  421}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.11000E+01 volume  0.11127E-02 ppm1      8.482 ppm2      4.128 CV     1
 ASSI {  422}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.600     1.600     1.600 peak   422 spectrum    1 weight  0.11000E+01 volume  0.10728E-02 ppm1      8.482 ppm2      2.269 CV     1
 OR {  422}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI {  424}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.400     1.400     1.400 peak   424 spectrum    1 weight  0.11000E+01 volume  0.19879E-02 ppm1      8.482 ppm2      1.811 CV     1
 ASSI {  425}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      4.900     3.000     1.100 peak   425 spectrum    1 weight  0.11000E+01 volume  0.79094E-03 ppm1      8.482 ppm2      1.229 CV     1
 ASSI {  433}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HD1 ))
      4.800     2.800     1.200 peak   433 spectrum    1 weight  0.11000E+01 volume  0.74587E-03 ppm1      8.481 ppm2      4.063 CV     1
 ASSI {  434}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HD2 ))
      3.300     1.400     1.400 peak   434 spectrum    1 weight  0.11000E+01 volume  0.10576E-02 ppm1      8.481 ppm2      3.984 CV     1
 ASSI {  436}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   436 spectrum    1 weight  0.11000E+01 volume  0.22381E-02 ppm1      8.481 ppm2      1.845 CV     1
 ASSI {  441}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.000     0.500     0.500 peak   441 spectrum    1 weight  0.11000E+01 volume  0.65656E-02 ppm1      8.476 ppm2      4.945 CV     1
 ASSI {  442}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.000     1.000 peak   442 spectrum    1 weight  0.11000E+01 volume  0.31646E-02 ppm1      8.478 ppm2      4.371 CV     1
 ASSI {  443}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.700     1.700     1.700 peak   443 spectrum    1 weight  0.11000E+01 volume  0.17319E-02 ppm1      8.478 ppm2      2.862 CV     1
 OR {  443}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  444}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.900     1.000     1.000 peak   444 spectrum    1 weight  0.11000E+01 volume  0.66488E-02 ppm1      8.478 ppm2      1.398 CV     1
 ASSI {  451}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.300     1.300     1.300 peak   451 spectrum    1 weight  0.11000E+01 volume  0.18868E-02 ppm1      8.447 ppm2      4.067 CV     1
 ASSI {  452}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      5.400     3.600     0.600 peak   452 spectrum    1 weight  0.11000E+01 volume  0.65059E-03 ppm1      8.447 ppm2      1.261 CV     1
 ASSI {  454}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.600     1.600 peak   454 spectrum    1 weight  0.11000E+01 volume  0.71664E-03 ppm1      8.417 ppm2      3.658 CV     1
 ASSI {  456}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.800     1.800     1.800 peak   456 spectrum    1 weight  0.11000E+01 volume  0.12090E-02 ppm1      8.417 ppm2      3.083 CV     1
 ASSI {  457}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.300     1.300 peak   457 spectrum    1 weight  0.11000E+01 volume  0.28945E-02 ppm1      8.417 ppm2      2.887 CV     1
 ASSI {  463}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      1.500     0.300     0.700 peak   463 spectrum    1 weight  0.11000E+01 volume  0.62094E-02 ppm1      8.392 ppm2      4.561 CV     1
 ASSI {  464}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   464 spectrum    1 weight  0.11000E+01 volume  0.15819E-02 ppm1      8.392 ppm2      4.075 CV     1
 ASSI {  466}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   466 spectrum    1 weight  0.11000E+01 volume  0.26909E-02 ppm1      8.392 ppm2      1.506 CV     1
 OR {  466}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  474}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      2.700     0.900     0.900 peak   474 spectrum    1 weight  0.11000E+01 volume  0.89315E-02 ppm1      8.388 ppm2      1.474 CV     1
 ASSI {  481}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      1.700     1.700     4.300 peak   481 spectrum    1 weight  0.11000E+01 volume  0.72045E-02 ppm1      8.389 ppm2      1.467 CV     1
 ASSI {  483}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.000     1.100     1.100 peak   483 spectrum    1 weight  0.11000E+01 volume  0.48416E-02 ppm1      8.388 ppm2      2.053 CV     1
 OR {  483}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
 ASSI {  484}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      1.600     0.300     0.600 peak   484 spectrum    1 weight  0.11000E+01 volume  0.57741E-02 ppm1      8.388 ppm2      1.846 CV     1
 ASSI {  492}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
      4.600     2.600     1.400 peak   492 spectrum    1 weight  0.11000E+01 volume  0.63407E-03 ppm1      8.388 ppm2      1.720 CV     1
 ASSI {  496}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      1.600     0.300     0.600 peak   496 spectrum    1 weight  0.11000E+01 volume  0.50736E-02 ppm1      8.388 ppm2      1.885 CV     1
 ASSI {  497}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.700     2.700     1.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.36634E-03 ppm1      8.388 ppm2      1.044 CV     1
 ASSI {  500}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak   500 spectrum    1 weight  0.11000E+01 volume  0.60785E-02 ppm1      8.372 ppm2      4.351 CV     1
 ASSI {  502}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      4.100     2.100     1.900 peak   502 spectrum    1 weight  0.11000E+01 volume  0.22129E-02 ppm1      8.372 ppm2      1.261 CV     1
 ASSI {  517}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak   517 spectrum    1 weight  0.11000E+01 volume  0.12647E-02 ppm1      8.337 ppm2      4.100 CV     1
 ASSI {  518}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   518 spectrum    1 weight  0.11000E+01 volume  0.32502E-02 ppm1      8.337 ppm2      3.438 CV     1
 ASSI {  519}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     1.000     1.000 peak   519 spectrum    1 weight  0.11000E+01 volume  0.10785E-02 ppm1      8.337 ppm2      3.012 CV     1
 ASSI {  524}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      5.200     3.400     0.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.42237E-03 ppm1      8.311 ppm2      7.347 CV     1
 ASSI {  555}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      3.300     1.400     1.400 peak   555 spectrum    1 weight  0.11000E+01 volume  0.16281E-02 ppm1      8.316 ppm2      4.132 CV     1
 ASSI {  558}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.900     3.000     1.100 peak   558 spectrum    1 weight  0.11000E+01 volume  0.12345E-02 ppm1      8.305 ppm2      2.683 CV     1
 ASSI {  564}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG11))
      3.000     1.100     1.100 peak   564 spectrum    1 weight  0.11000E+01 volume  0.30219E-02 ppm1      8.305 ppm2      1.450 CV     1
 ASSI {  565}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      4.500     2.500     1.500 peak   565 spectrum    1 weight  0.11000E+01 volume  0.21726E-02 ppm1      8.305 ppm2      1.223 CV     1
 ASSI {  567}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak   567 spectrum    1 weight  0.11000E+01 volume  0.27502E-02 ppm1      8.305 ppm2      4.348 CV     1
 ASSI {  585}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.000     0.500     0.500 peak   585 spectrum    1 weight  0.11000E+01 volume  0.36267E-02 ppm1      8.248 ppm2      7.816 CV     1
 ASSI {  586}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.200     0.600     0.600 peak   586 spectrum    1 weight  0.11000E+01 volume  0.40799E-02 ppm1      8.248 ppm2      7.723 CV     1
 ASSI {  590}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.11000E+01 volume  0.22290E-02 ppm1      8.248 ppm2      3.313 CV     1
 ASSI {  592}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.100     2.100     1.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.10009E-02 ppm1      8.248 ppm2      1.050 CV     1
 ASSI {  593}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      2.400     0.700     0.700 peak   593 spectrum    1 weight  0.11000E+01 volume  0.13381E-02 ppm1      8.248 ppm2      0.665 CV     1
 ASSI {  632}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.000     0.500     0.500 peak   632 spectrum    1 weight  0.11000E+01 volume  0.25239E-02 ppm1      8.124 ppm2      7.881 CV     1
 ASSI {  644}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA2 ))
      3.400     1.500     1.500 peak   644 spectrum    1 weight  0.11000E+01 volume  0.18256E-02 ppm1      8.069 ppm2      3.866 CV     1
 ASSI {  646}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak   646 spectrum    1 weight  0.11000E+01 volume  0.40568E-02 ppm1      8.069 ppm2      2.683 CV     1
 ASSI {  662}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak   662 spectrum    1 weight  0.11000E+01 volume  0.24277E-02 ppm1      8.045 ppm2      5.076 CV     1
 ASSI {  666}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak   666 spectrum    1 weight  0.11000E+01 volume  0.25525E-02 ppm1      8.069 ppm2      8.481 CV     1
 ASSI {  667}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak   667 spectrum    1 weight  0.11000E+01 volume  0.26125E-02 ppm1      8.069 ppm2      7.631 CV     1
 ASSI {  669}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.900     0.900 peak   669 spectrum    1 weight  0.11000E+01 volume  0.40977E-02 ppm1      8.069 ppm2      4.240 CV     1
 ASSI {  670}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      4.000     2.000     2.000 peak   670 spectrum    1 weight  0.11000E+01 volume  0.17623E-02 ppm1      8.069 ppm2      2.437 CV     1
 ASSI {  671}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.700     1.800     1.800 peak   671 spectrum    1 weight  0.11000E+01 volume  0.15660E-02 ppm1      8.069 ppm2      2.232 CV     1
 ASSI {  672}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.11000E+01 volume  0.37024E-02 ppm1      8.069 ppm2      2.067 CV     1
 ASSI {  688}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      1.700     0.300     0.500 peak   688 spectrum    1 weight  0.11000E+01 volume  0.11120E-01 ppm1      8.029 ppm2      7.725 CV     1
 ASSI {  702}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB  ))
      3.600     1.600     1.600 peak   702 spectrum    1 weight  0.11000E+01 volume  0.15745E-02 ppm1      7.989 ppm2      2.027 CV     1
 ASSI {  703}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HG1%)
      4.800     2.800     1.200 peak   703 spectrum    1 weight  0.11000E+01 volume  0.48257E-03 ppm1      7.990 ppm2      0.900 CV     1
 ASSI {  705}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      1.600     0.300     0.600 peak   705 spectrum    1 weight  0.11000E+01 volume  0.52292E-02 ppm1      7.989 ppm2      4.508 CV     1
 ASSI {  707}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      3.200     1.200     1.200 peak   707 spectrum    1 weight  0.10000E+01 volume  0.20485E-02 ppm1      7.990 ppm2      1.334 CV     1
 ASSI {  708}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HG2%)
      3.200     1.200     1.200 peak   708 spectrum    1 weight  0.11000E+01 volume  0.28556E-02 ppm1      7.989 ppm2      0.798 CV     1
 ASSI {  709}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.600     0.800     0.800 peak   709 spectrum    1 weight  0.11000E+01 volume  0.30315E-02 ppm1      7.989 ppm2      4.042 CV     1
 ASSI {  710}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.000     1.100     1.100 peak   710 spectrum    1 weight  0.11000E+01 volume  0.75324E-03 ppm1      7.989 ppm2      5.263 CV     1
 ASSI {  719}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      2.800     1.000     1.000 peak   719 spectrum    1 weight  0.11000E+01 volume  0.41336E-02 ppm1      7.968 ppm2      4.067 CV     1
 ASSI {  732}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   732 spectrum    1 weight  0.11000E+01 volume  0.91950E-02 ppm1      7.969 ppm2      4.301 CV     1
 ASSI {  733}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      2.900     1.100     1.100 peak   733 spectrum    1 weight  0.11000E+01 volume  0.30010E-02 ppm1      7.968 ppm2      4.018 CV     1
 ASSI {  734}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
      6.000     5.300     0.000 peak   734 spectrum    1 weight  0.11000E+01 volume  0.27284E-03 ppm1      7.969 ppm2      3.111 CV     1
 OR {  734}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI {  766}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.700     0.900     0.900 peak   766 spectrum    1 weight  0.11000E+01 volume  0.50371E-02 ppm1      7.817 ppm2      2.010 CV     1
 OR {  766}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  768}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.200     1.300     1.300 peak   768 spectrum    1 weight  0.11000E+01 volume  0.15102E-02 ppm1      7.817 ppm2      3.974 CV     1
 ASSI {  769}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      1.600     0.300     0.600 peak   769 spectrum    1 weight  0.11000E+01 volume  0.46203E-02 ppm1      7.817 ppm2      4.072 CV     1
 ASSI {  770}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      2.000     0.500     0.500 peak   770 spectrum    1 weight  0.11000E+01 volume  0.45116E-02 ppm1      7.817 ppm2      3.578 CV     1
 ASSI {  795}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      2.500     2.500     3.500 peak   795 spectrum    1 weight  0.10000E+01 volume  0.32869E-02 ppm1      7.738 ppm2      1.419 CV     1
 ASSI {  808}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     3.400     2.600 peak   808 spectrum    1 weight  0.11000E+01 volume  0.51297E-03 ppm1      7.725 ppm2      3.438 CV     1
 ASSI {  819}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA2 ))
      3.200     1.300     1.300 peak   819 spectrum    1 weight  0.11000E+01 volume  0.11574E-02 ppm1      7.717 ppm2      3.670 CV     1
 ASSI {  822}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      1.900     0.400     0.400 peak   822 spectrum    1 weight  0.11000E+01 volume  0.53011E-02 ppm1      7.718 ppm2      1.856 CV     1
 ASSI {  823}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak   823 spectrum    1 weight  0.11000E+01 volume  0.23751E-02 ppm1      7.718 ppm2      1.697 CV     1
 ASSI {  825}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      3.600     1.700     1.700 peak   825 spectrum    1 weight  0.11000E+01 volume  0.30374E-02 ppm1      7.717 ppm2      1.323 CV     1
 ASSI {  826}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.800     1.800     1.800 peak   826 spectrum    1 weight  0.11000E+01 volume  0.26729E-02 ppm1      7.717 ppm2      1.219 CV     1
 ASSI {  827}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
      5.600     3.900     0.400 peak   827 spectrum    1 weight  0.11000E+01 volume  0.56047E-03 ppm1      7.717 ppm2      0.758 CV     1
 ASSI {  832}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HE22))
      1.600     0.300     0.600 peak   832 spectrum    1 weight  0.11000E+01 volume  0.21753E-01 ppm1      7.667 ppm2      6.946 CV     1
 ASSI {  848}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   848 spectrum    1 weight  0.11000E+01 volume  0.23664E-02 ppm1      7.603 ppm2      4.062 CV     1
 ASSI {  851}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.500     2.500     1.500 peak   851 spectrum    1 weight  0.11000E+01 volume  0.71315E-03 ppm1      7.603 ppm2      2.069 CV     1
 OR {  851}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  854}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   854 spectrum    1 weight  0.11000E+01 volume  0.95204E-03 ppm1      7.563 ppm2      3.401 CV     1
 ASSI {  860}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak   860 spectrum    1 weight  0.11000E+01 volume  0.11060E-02 ppm1      7.631 ppm2      4.064 CV     1
 ASSI {  871}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.700     2.800     1.300 peak   871 spectrum    1 weight  0.11000E+01 volume  0.71758E-03 ppm1      6.658 ppm2      2.756 CV     1
 ASSI {  872}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG1%)
      3.500     1.500     1.500 peak   872 spectrum    1 weight  0.11000E+01 volume  0.38001E-02 ppm1      6.657 ppm2      0.660 CV     1
 OR {  872}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI {  875}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak   875 spectrum    1 weight  0.11000E+01 volume  0.11184E-02 ppm1      6.658 ppm2      3.767 CV     1
 ASSI {  876}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      3.600     1.600     1.600 peak   876 spectrum    1 weight  0.11000E+01 volume  0.18134E-02 ppm1      6.658 ppm2      1.816 CV     1
 ASSI {  877}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HD22))
      1.800     0.400     0.400 peak   877 spectrum    1 weight  0.11000E+01 volume  0.82954E-02 ppm1      6.875 ppm2      7.492 CV     1
 ASSI {  878}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak   878 spectrum    1 weight  0.11000E+01 volume  0.34284E-02 ppm1      6.875 ppm2      2.747 CV     1
 ASSI {  887}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.700     1.700     1.700 peak   887 spectrum    1 weight  0.11000E+01 volume  0.69976E-03 ppm1      7.438 ppm2      4.024 CV     1
 ASSI {  889}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.800     1.000     1.000 peak   889 spectrum    1 weight  0.11000E+01 volume  0.98281E-03 ppm1      7.438 ppm2      2.023 CV     1
 ASSI {  892}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
      3.000     1.100     1.100 peak   892 spectrum    1 weight  0.10000E+01 volume  0.17113E-02 ppm1      7.438 ppm2      1.300 CV     1
 ASSI {  898}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 61   and name HB2 ))
      4.800     2.800     1.200 peak   898 spectrum    1 weight  0.11000E+01 volume  0.15189E-02 ppm1      7.490 ppm2      2.618 CV     1
 ASSI {  904}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HB2 ))
      4.500     2.500     1.500 peak   904 spectrum    1 weight  0.11000E+01 volume  0.66690E-03 ppm1      7.602 ppm2      1.973 CV     1
 ASSI {  905}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HD22))
      1.600     0.300     0.600 peak   905 spectrum    1 weight  0.11000E+01 volume  0.18893E-01 ppm1      7.562 ppm2      6.940 CV     1
 ASSI {  916}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HG2 ))
      2.800     0.900     0.900 peak   916 spectrum    1 weight  0.11000E+01 volume  0.37365E-02 ppm1      7.602 ppm2      2.360 CV     1
 OR {  916}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI {  921}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB1 ))
      3.300     1.300     1.300 peak   921 spectrum    1 weight  0.11000E+01 volume  0.13361E-02 ppm1      7.561 ppm2      2.756 CV     1
 ASSI {  930}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.900     1.900     1.900 peak   930 spectrum    1 weight  0.11000E+01 volume  0.93276E-03 ppm1      7.348 ppm2      3.579 CV     1
 ASSI {  931}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      4.700     2.800     1.300 peak   931 spectrum    1 weight  0.11000E+01 volume  0.22151E-02 ppm1      7.347 ppm2      2.701 CV     1
 OR {  931}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI {  937}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HD22))
      1.200     0.200     1.000 peak   937 spectrum    1 weight  0.11000E+01 volume  0.17531E-01 ppm1      7.410 ppm2      7.079 CV     1
 ASSI {  938}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 119  and name HZ3 ))
      2.700     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.10382E-02 ppm1      7.410 ppm2      6.666 CV     1
 ASSI {  946}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 92   and name HE% )
      2.000     0.500     0.500 peak   946 spectrum    1 weight  0.11000E+01 volume  0.29167E-01 ppm1      7.121 ppm2      7.001 CV     1
 ASSI {  950}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HG2 ))
      3.300     1.400     1.400 peak   950 spectrum    1 weight  0.11000E+01 volume  0.23152E-02 ppm1      7.159 ppm2      1.391 CV     1
 OR {  950}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HG1 ))
 ASSI {  958}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 119  and name HZ3 ))
      2.100     0.500     0.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.91924E-02 ppm1      7.083 ppm2      6.666 CV     1
 ASSI {  959}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HA  ))
      5.300     3.500     0.700 peak   959 spectrum    1 weight  0.11000E+01 volume  0.45854E-03 ppm1      7.082 ppm2      4.941 CV     1
 ASSI {  960}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak   960 spectrum    1 weight  0.11000E+01 volume  0.29108E-02 ppm1      7.082 ppm2      2.862 CV     1
 OR {  960}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  967}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak   967 spectrum    1 weight  0.11000E+01 volume  0.62690E-03 ppm1      7.103 ppm2      1.505 CV     1
 OR {  967}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  984}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HB1 ))
      6.000     5.400     0.000 peak   984 spectrum    1 weight  0.11000E+01 volume  0.46131E-03 ppm1      6.781 ppm2      1.721 CV     1
 OR {  984}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {  991}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.100     1.100 peak   991 spectrum    1 weight  0.10000E+01 volume  0.23293E-02 ppm1      6.947 ppm2      4.840 CV     1
 ASSI { 1006}
   (( segid "    " and resid 89   and name HD22))
   (( segid "    " and resid 89   and name HD21))
      1.800     0.400     0.400 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.80386E-02 ppm1      7.104 ppm2      7.793 CV     1
 ASSI { 1008}
   (( segid "    " and resid 89   and name HD22))
   (( segid "    " and resid 89   and name HB2 ))
      4.600     2.700     1.400 peak  1008 spectrum    1 weight  0.11000E+01 volume  0.84769E-03 ppm1      7.104 ppm2      2.998 CV     1
 ASSI { 1010}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HE21))
      1.500     0.300     0.700 peak  1010 spectrum    1 weight  0.11000E+01 volume  0.20955E-01 ppm1      7.085 ppm2      7.602 CV     1
 ASSI { 1013}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HG2 ))
      4.300     2.300     1.700 peak  1013 spectrum    1 weight  0.11000E+01 volume  0.13908E-02 ppm1      7.085 ppm2      2.360 CV     1
 OR { 1013}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI { 1024}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      1.900     0.400     0.400 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.16208E-02 ppm1      9.575 ppm2      5.455 CV     1
 ASSI { 1025}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      4.400     2.400     1.600 peak  1025 spectrum    1 weight  0.11000E+01 volume  0.19604E-02 ppm1      9.575 ppm2      0.728 CV     1
 ASSI { 1026}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.400     1.500     1.500 peak  1026 spectrum    1 weight  0.11000E+01 volume  0.53127E-03 ppm1      8.753 ppm2      2.970 CV     1
 ASSI { 1028}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.100     1.200     1.200 peak  1028 spectrum    1 weight  0.11000E+01 volume  0.31622E-02 ppm1      9.652 ppm2      2.615 CV     1
 ASSI { 1029}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      2.400     0.700     0.700 peak  1029 spectrum    1 weight  0.11000E+01 volume  0.74623E-03 ppm1      9.388 ppm2      2.853 CV     1
 ASSI { 1032}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.000     1.100     1.100 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.36435E-03 ppm1      9.381 ppm2      4.796 CV     1
 ASSI { 1034}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HB  ))
      3.100     1.200     1.200 peak  1034 spectrum    1 weight  0.11000E+01 volume  0.15101E-02 ppm1      9.057 ppm2      2.070 CV     1
 ASSI { 1036}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.11000E+01 volume  0.95195E-03 ppm1      9.057 ppm2      5.225 CV     1
 ASSI { 1038}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      3.600     1.600     1.600 peak  1038 spectrum    1 weight  0.11000E+01 volume  0.75321E-03 ppm1      9.057 ppm2      0.720 CV     1
 ASSI { 1039}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      1.500     0.300     0.700 peak  1039 spectrum    1 weight  0.11000E+01 volume  0.62437E-02 ppm1      9.138 ppm2      5.483 CV     1
 ASSI { 1041}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.700     1.700     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.31853E-03 ppm1      9.138 ppm2      2.237 CV     1
 OR { 1041}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1042}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      3.200     1.300     1.300 peak  1042 spectrum    1 weight  0.11000E+01 volume  0.70513E-03 ppm1      9.399 ppm2      2.720 CV     1
 OR { 1042}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
 ASSI { 1043}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      5.300     3.600     0.700 peak  1043 spectrum    1 weight  0.11000E+01 volume  0.21092E-03 ppm1      9.400 ppm2      3.078 CV     1
 ASSI { 1044}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      1.600     0.300     0.600 peak  1044 spectrum    1 weight  0.11000E+01 volume  0.53938E-02 ppm1      9.400 ppm2      5.746 CV     1
 ASSI { 1048}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
      5.200     3.400     0.800 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.47202E-03 ppm1      9.549 ppm2      1.834 CV     1
 OR { 1048}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI { 1049}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      3.400     1.400     1.400 peak  1049 spectrum    1 weight  0.11000E+01 volume  0.58451E-03 ppm1      9.549 ppm2      1.651 CV     1
 OR { 1049}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI { 1050}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      3.800     1.800     1.800 peak  1050 spectrum    1 weight  0.11000E+01 volume  0.32535E-03 ppm1      9.549 ppm2      1.485 CV     1
 OR { 1050}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI { 1051}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.300     1.400     1.400 peak  1051 spectrum    1 weight  0.11000E+01 volume  0.29476E-03 ppm1      8.388 ppm2      5.482 CV     1
 ASSI { 1054}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
      4.800     2.800     1.200 peak  1054 spectrum    1 weight  0.11000E+01 volume  0.72892E-03 ppm1      8.388 ppm2      1.660 CV     1
 ASSI { 1055}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.11000E+01 volume  0.16120E-02 ppm1      9.434 ppm2      9.216 CV     1
 ASSI { 1060}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      2.300     0.600     0.600 peak  1060 spectrum    1 weight  0.11000E+01 volume  0.98423E-02 ppm1      7.725 ppm2      1.418 CV     1
 ASSI { 1061}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.000     2.000     2.000 peak  1061 spectrum    1 weight  0.11000E+01 volume  0.26065E-02 ppm1      7.725 ppm2      0.665 CV     1
 ASSI { 1062}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak  1062 spectrum    1 weight  0.11000E+01 volume  0.12605E-02 ppm1      7.738 ppm2      4.356 CV     1
 ASSI { 1064}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.600     1.600     1.600 peak  1064 spectrum    1 weight  0.11000E+01 volume  0.23259E-02 ppm1      8.124 ppm2      2.713 CV     1
 ASSI { 1067}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
      5.800     4.100     0.200 peak  1067 spectrum    1 weight  0.11000E+01 volume  0.24135E-03 ppm1      7.817 ppm2      2.173 CV     1
 ASSI { 1069}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.200     1.200 peak  1069 spectrum    1 weight  0.11000E+01 volume  0.44495E-03 ppm1      7.568 ppm2      3.012 CV     1
 ASSI { 1070}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1070 spectrum    1 weight  0.11000E+01 volume  0.63010E-03 ppm1      7.569 ppm2      4.100 CV     1
 ASSI { 1075}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      4.800     2.900     1.200 peak  1075 spectrum    1 weight  0.11000E+01 volume  0.29998E-03 ppm1      7.881 ppm2      2.713 CV     1
 ASSI { 1077}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.300     1.300     1.300 peak  1077 spectrum    1 weight  0.11000E+01 volume  0.33760E-03 ppm1      8.929 ppm2      5.483 CV     1
 ASSI { 1079}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.200     2.200     1.800 peak  1079 spectrum    1 weight  0.11000E+01 volume  0.41284E-03 ppm1      8.929 ppm2      2.998 CV     1
 ASSI { 1080}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      5.100     3.300     0.900 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.20101E-03 ppm1      9.138 ppm2      3.007 CV     1
 ASSI { 1081}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.11000E+01 volume  0.67325E-03 ppm1      8.336 ppm2      2.753 CV     1
 OR { 1081}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1084}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak  1084 spectrum    1 weight  0.11000E+01 volume  0.75205E-03 ppm1      8.336 ppm2      5.071 CV     1
 ASSI { 1085}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      1.600     0.300     0.600 peak  1085 spectrum    1 weight  0.11000E+01 volume  0.52140E-02 ppm1      8.336 ppm2      5.455 CV     1
 ASSI { 1088}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.500     2.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.12222E-03 ppm1      8.337 ppm2      9.566 CV     1
 ASSI { 1090}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      5.200     3.300     0.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.64556E-03 ppm1      8.336 ppm2      0.309 CV     1
 ASSI { 1091}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.98546E-03 ppm1      8.833 ppm2      5.069 CV     1
 ASSI { 1092}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
      2.600     0.800     0.800 peak  1092 spectrum    1 weight  0.11000E+01 volume  0.19885E-02 ppm1      8.044 ppm2      3.893 CV     1
 OR { 1092}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1093}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.400     1.400 peak  1093 spectrum    1 weight  0.11000E+01 volume  0.20909E-02 ppm1      8.044 ppm2      2.869 CV     1
 ASSI { 1094}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     0.700     0.700 peak  1094 spectrum    1 weight  0.11000E+01 volume  0.41692E-02 ppm1      8.044 ppm2      2.665 CV     1
 ASSI { 1095}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
      6.000     4.600     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.19233E-03 ppm1      8.045 ppm2      6.908 CV     1
 ASSI { 1102}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.400     2.400     1.600 peak  1102 spectrum    1 weight  0.11000E+01 volume  0.63937E-03 ppm1      8.826 ppm2      2.069 CV     1
 OR { 1102}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1106}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      5.800     4.100     0.200 peak  1106 spectrum    1 weight  0.11000E+01 volume  0.32721E-03 ppm1      8.826 ppm2      2.366 CV     1
 OR { 1106}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1107}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      4.500     2.500     1.500 peak  1107 spectrum    1 weight  0.11000E+01 volume  0.25445E-03 ppm1      8.316 ppm2      3.888 CV     1
 ASSI { 1108}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      2.100     0.500     0.500 peak  1108 spectrum    1 weight  0.11000E+01 volume  0.21831E-02 ppm1      8.833 ppm2      3.578 CV     1
 ASSI { 1110}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      3.500     1.600     1.600 peak  1110 spectrum    1 weight  0.11000E+01 volume  0.27344E-02 ppm1      8.295 ppm2      2.698 CV     1
 OR { 1110}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
 ASSI { 1119}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      1.600     0.300     0.600 peak  1119 spectrum    1 weight  0.11000E+01 volume  0.11855E-02 ppm1      8.389 ppm2      4.869 CV     1
 ASSI { 1122}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.400     1.500     1.500 peak  1122 spectrum    1 weight  0.11000E+01 volume  0.13756E-02 ppm1      7.804 ppm2      4.119 CV     1
 ASSI { 1126}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      3.600     1.600     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.68341E-03 ppm1      9.108 ppm2      6.973 CV     1
 ASSI { 1127}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      1.600     0.300     0.600 peak  1127 spectrum    1 weight  0.11000E+01 volume  0.50432E-02 ppm1      9.108 ppm2      5.283 CV     1
 ASSI { 1128}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1128 spectrum    1 weight  0.11000E+01 volume  0.25244E-02 ppm1      9.108 ppm2      4.945 CV     1
 ASSI { 1129}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.100     1.100 peak  1129 spectrum    1 weight  0.11000E+01 volume  0.11686E-02 ppm1      9.108 ppm2      2.862 CV     1
 OR { 1129}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1132}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.900     0.900 peak  1132 spectrum    1 weight  0.11000E+01 volume  0.28769E-02 ppm1      9.066 ppm2      4.947 CV     1
 ASSI { 1133}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      5.800     4.200     0.200 peak  1133 spectrum    1 weight  0.11000E+01 volume  0.31430E-03 ppm1      9.066 ppm2      2.268 CV     1
 OR { 1133}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 1134}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.900     1.900     1.900 peak  1134 spectrum    1 weight  0.11000E+01 volume  0.81441E-03 ppm1      9.066 ppm2      1.946 CV     1
 ASSI { 1138}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      1.600     0.300     0.600 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.47414E-02 ppm1      9.256 ppm2      5.204 CV     1
 ASSI { 1139}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      3.000     1.100     1.100 peak  1139 spectrum    1 weight  0.11000E+01 volume  0.16777E-02 ppm1      9.034 ppm2      0.638 CV     1
 ASSI { 1140}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      4.000     2.000     2.000 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.85640E-03 ppm1      9.216 ppm2      0.718 CV     1
 ASSI { 1144}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.200     0.600     0.600 peak  1144 spectrum    1 weight  0.11000E+01 volume  0.39462E-02 ppm1      8.907 ppm2      4.963 CV     1
 ASSI { 1146}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      5.500     3.800     0.500 peak  1146 spectrum    1 weight  0.11000E+01 volume  0.75751E-03 ppm1      8.582 ppm2      2.294 CV     1
 OR { 1146}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1154}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      4.900     3.100     1.100 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.14011E-02 ppm1      7.812 ppm2      0.660 CV     1
 OR { 1154}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG1%)
 ASSI { 1155}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      4.100     2.100     1.900 peak  1155 spectrum    1 weight  0.11000E+01 volume  0.19021E-02 ppm1      7.812 ppm2      1.816 CV     1
 ASSI { 1156}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak  1156 spectrum    1 weight  0.11000E+01 volume  0.88855E-03 ppm1      7.812 ppm2      3.766 CV     1
 ASSI { 1160}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      3.600     1.600     1.600 peak  1160 spectrum    1 weight  0.11000E+01 volume  0.35427E-03 ppm1      9.286 ppm2      5.507 CV     1
 ASSI { 1161}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      1.600     0.300     0.600 peak  1161 spectrum    1 weight  0.11000E+01 volume  0.48161E-02 ppm1      9.286 ppm2      5.223 CV     1
 ASSI { 1162}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      5.000     3.100     1.000 peak  1162 spectrum    1 weight  0.11000E+01 volume  0.17656E-03 ppm1      9.066 ppm2      3.095 CV     1
 ASSI { 1164}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      4.400     2.400     1.600 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.15532E-03 ppm1      9.066 ppm2      3.278 CV     1
 ASSI { 1165}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak  1165 spectrum    1 weight  0.11000E+01 volume  0.20241E-02 ppm1      9.034 ppm2      5.357 CV     1
 ASSI { 1167}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      5.800     4.100     0.200 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.47754E-03 ppm1      8.861 ppm2      0.726 CV     1
 OR { 1167}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1169}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.400     1.400 peak  1169 spectrum    1 weight  0.11000E+01 volume  0.25565E-02 ppm1      8.861 ppm2      2.030 CV     1
 ASSI { 1170}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.400     0.700     0.700 peak  1170 spectrum    1 weight  0.11000E+01 volume  0.27450E-02 ppm1      8.861 ppm2      2.776 CV     1
 OR { 1170}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1176}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.600     0.600 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.61815E-02 ppm1      8.625 ppm2      4.362 CV     1
 ASSI { 1186}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      5.800     4.200     0.200 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.36093E-03 ppm1      8.620 ppm2      7.963 CV     1
 ASSI { 1188}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak  1188 spectrum    1 weight  0.11000E+01 volume  0.16857E-03 ppm1      9.238 ppm2      8.752 CV     1
 ASSI { 1190}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB1 ))
      3.000     1.100     1.100 peak  1190 spectrum    1 weight  0.11000E+01 volume  0.33840E-02 ppm1      8.541 ppm2      2.970 CV     1
 ASSI { 1191}
   (( segid "    " and resid 89   and name HD22))
   (( segid "    " and resid 89   and name HB1 ))
      4.700     2.800     1.300 peak  1191 spectrum    1 weight  0.11000E+01 volume  0.69975E-03 ppm1      7.104 ppm2      3.167 CV     1
 ASSI { 1194}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB2 ))
      4.700     2.700     1.300 peak  1194 spectrum    1 weight  0.11000E+01 volume  0.13587E-02 ppm1      6.941 ppm2      2.713 CV     1
 ASSI { 1196}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HA  ))
      5.200     3.400     0.800 peak  1196 spectrum    1 weight  0.11000E+01 volume  0.46758E-03 ppm1      6.876 ppm2      5.000 CV     1
 ASSI { 1198}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD22))
      6.000     6.000     0.000 peak  1198 spectrum    1 weight  0.11000E+01 volume  0.91048E-04 ppm1      9.652 ppm2      7.487 CV     1
 ASSI { 1199}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 61   and name HB1 ))
      4.300     2.300     1.700 peak  1199 spectrum    1 weight  0.11000E+01 volume  0.27977E-02 ppm1      7.490 ppm2      2.747 CV     1
 ASSI { 1200}
   (( segid "    " and resid 61   and name HD21))
   (( segid "    " and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak  1200 spectrum    1 weight  0.11000E+01 volume  0.99130E-03 ppm1      6.875 ppm2      2.619 CV     1
 ASSI { 1202}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     6.000     0.000 peak  1202 spectrum    1 weight  0.11000E+01 volume  0.11784E-03 ppm1      7.086 ppm2      2.023 CV     1
 ASSI { 1205}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG1 ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.11000E+01 volume  0.15061E-02 ppm1      7.103 ppm2      0.727 CV     1
 OR { 1205}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1206}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HG1 ))
      3.000     1.100     1.100 peak  1206 spectrum    1 weight  0.11000E+01 volume  0.29481E-02 ppm1      6.647 ppm2      0.727 CV     1
 OR { 1206}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1207}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak  1207 spectrum    1 weight  0.11000E+01 volume  0.29865E-02 ppm1      6.647 ppm2      1.506 CV     1
 OR { 1207}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1210}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HE21))
      1.300     0.200     0.900 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.70362E-02 ppm1      6.646 ppm2      7.101 CV     1
 ASSI { 1212}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.600     2.600     1.400 peak  1212 spectrum    1 weight  0.11000E+01 volume  0.54760E-03 ppm1      7.911 ppm2      2.756 CV     1
 ASSI { 1213}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.700     2.800     1.300 peak  1213 spectrum    1 weight  0.11000E+01 volume  0.16789E-03 ppm1      7.911 ppm2      4.789 CV     1
 ASSI { 1218}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     0.800     0.800 peak  1218 spectrum    1 weight  0.11000E+01 volume  0.15640E-02 ppm1      8.336 ppm2      4.018 CV     1
 ASSI { 1220}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      5.100     3.300     0.900 peak  1220 spectrum    1 weight  0.11000E+01 volume  0.18560E-03 ppm1      8.785 ppm2      8.338 CV     1
 ASSI { 1226}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      3.400     1.400     1.400 peak  1226 spectrum    1 weight  0.11000E+01 volume  0.24356E-02 ppm1      8.659 ppm2      2.004 CV     1
 ASSI { 1227}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      3.500     1.500     1.500 peak  1227 spectrum    1 weight  0.11000E+01 volume  0.10140E-02 ppm1      8.659 ppm2      2.278 CV     1
 OR { 1227}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI { 1228}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      3.700     1.700     1.700 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.11965E-02 ppm1      9.084 ppm2      2.004 CV     1
 ASSI { 1229}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG1 ))
      6.000     5.000     0.000 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.30238E-03 ppm1      9.084 ppm2      2.278 CV     1
 OR { 1229}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI { 1232}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HG2%)
      4.300     2.300     1.700 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.80029E-03 ppm1      7.843 ppm2      1.212 CV     1
 ASSI { 1234}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak  1234 spectrum    1 weight  0.11000E+01 volume  0.10194E-02 ppm1      8.417 ppm2      3.460 CV     1
 ASSI { 1245}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      5.600     3.900     0.400 peak  1245 spectrum    1 weight  0.11000E+01 volume  0.36731E-03 ppm1      8.124 ppm2      4.356 CV     1
 ASSI { 1246}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.100     3.100     2.900 peak  1246 spectrum    1 weight  0.11000E+01 volume  0.89492E-03 ppm1      8.124 ppm2      4.071 CV     1
 ASSI { 1247}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      6.000     6.000     0.000 peak  1247 spectrum    1 weight  0.11000E+01 volume  0.37044E-04 ppm1      8.029 ppm2      3.311 CV     1
 ASSI { 1248}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      4.600     2.700     1.400 peak  1248 spectrum    1 weight  0.11000E+01 volume  0.15444E-03 ppm1      8.029 ppm2      3.575 CV     1
 ASSI { 1249}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1249 spectrum    1 weight  0.11000E+01 volume  0.28401E-02 ppm1      7.726 ppm2      3.973 CV     1
 ASSI { 1259}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.81597E-02 ppm1      4.058 ppm2      1.419 CV     1
 ASSI { 1260}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      3.500     1.500     1.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.32599E-02 ppm1      3.972 ppm2      1.419 CV     1
 ASSI { 1264}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.300     0.700     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.76648E-02 ppm1      3.972 ppm2      2.013 CV     1
 OR { 1264}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 1265}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HD2 ))
      1.200     0.200     1.000 peak  1265 spectrum    1 weight  0.11000E+01 volume  0.41902E-01 ppm1      4.063 ppm2      3.984 CV     1
 ASSI { 1268}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.300     0.600     0.600 peak  1268 spectrum    1 weight  0.11000E+01 volume  0.31895E-02 ppm1      3.942 ppm2      4.755 CV     1
 ASSI { 1269}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1269 spectrum    1 weight  0.11000E+01 volume  0.31194E-02 ppm1      3.744 ppm2      4.755 CV     1
 ASSI { 1271}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG2 ))
      2.900     1.100     1.100 peak  1271 spectrum    1 weight  0.11000E+01 volume  0.16162E-02 ppm1      3.940 ppm2      2.001 CV     1
 OR { 1271}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG1 ))
 ASSI { 1272}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HB2 ))
      4.000     2.000     2.000 peak  1272 spectrum    1 weight  0.11000E+01 volume  0.22699E-02 ppm1      3.940 ppm2      2.157 CV     1
 OR { 1272}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HB1 ))
 ASSI { 1273}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HB1 ))
      4.100     2.100     1.900 peak  1273 spectrum    1 weight  0.11000E+01 volume  0.25665E-02 ppm1      3.745 ppm2      2.157 CV     1
 OR { 1273}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HB2 ))
 ASSI { 1274}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HG1 ))
      3.000     1.100     1.100 peak  1274 spectrum    1 weight  0.11000E+01 volume  0.14122E-02 ppm1      3.745 ppm2      2.001 CV     1
 OR { 1274}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI { 1275}
   (( segid "    " and resid 102  and name HD2 ))
   (  segid "    " and resid 101  and name HG2%)
      4.100     2.100     1.900 peak  1275 spectrum    1 weight  0.11000E+01 volume  0.27776E-02 ppm1      3.745 ppm2      1.211 CV     1
 ASSI { 1276}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HD2 ))
      1.600     0.300     0.600 peak  1276 spectrum    1 weight  0.11000E+01 volume  0.70425E-02 ppm1      3.940 ppm2      3.745 CV     1
 ASSI { 1277}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      5.000     3.200     1.000 peak  1277 spectrum    1 weight  0.11000E+01 volume  0.57841E-03 ppm1      9.240 ppm2      1.172 CV     1
 ASSI { 1278}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak  1278 spectrum    1 weight  0.11000E+01 volume  0.13094E-02 ppm1      4.063 ppm2      4.884 CV     1
 ASSI { 1280}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak  1280 spectrum    1 weight  0.11000E+01 volume  0.27942E-02 ppm1      8.481 ppm2      4.168 CV     1
 ASSI { 1282}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HB1 ))
      5.000     3.100     1.000 peak  1282 spectrum    1 weight  0.11000E+01 volume  0.61561E-03 ppm1      4.061 ppm2      2.436 CV     1
 OR { 1282}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1283}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB2 ))
      5.100     3.300     0.900 peak  1283 spectrum    1 weight  0.11000E+01 volume  0.77933E-03 ppm1      3.985 ppm2      2.434 CV     1
 OR { 1283}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1284}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.100     0.500     0.500 peak  1284 spectrum    1 weight  0.11000E+01 volume  0.16995E-01 ppm1      2.437 ppm2      2.075 CV     1
 OR { 1284}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG1 ))
 OR { 1284}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG1 ))
 OR { 1284}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1285}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HG1 ))
      2.500     0.800     0.800 peak  1285 spectrum    1 weight  0.11000E+01 volume  0.46653E-02 ppm1      4.061 ppm2      2.075 CV     1
 OR { 1285}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1286}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.700     0.900     0.900 peak  1286 spectrum    1 weight  0.11000E+01 volume  0.29070E-02 ppm1      3.984 ppm2      2.075 CV     1
 OR { 1286}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1287}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak  1287 spectrum    1 weight  0.11000E+01 volume  0.16411E-02 ppm1      4.063 ppm2      4.384 CV     1
 ASSI { 1288}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak  1288 spectrum    1 weight  0.11000E+01 volume  0.26605E-02 ppm1      3.984 ppm2      4.384 CV     1
 ASSI { 1289}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
      4.000     2.000     2.000 peak  1289 spectrum    1 weight  0.11000E+01 volume  0.38273E-02 ppm1      2.073 ppm2      4.384 CV     1
 OR { 1289}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1290}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.700     0.700 peak  1290 spectrum    1 weight  0.11000E+01 volume  0.80683E-02 ppm1      2.437 ppm2      4.384 CV     1
 OR { 1290}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1292}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
      3.200     1.300     1.300 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.50279E-02 ppm1      3.972 ppm2      2.168 CV     1
 ASSI { 1296}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HB2 ))
      1.500     0.300     0.700 peak  1296 spectrum    1 weight  0.11000E+01 volume  0.14755E-01 ppm1      3.888 ppm2      3.785 CV     1
 ASSI { 1297}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HA  ))
      3.000     1.100     1.100 peak  1297 spectrum    1 weight  0.11000E+01 volume  0.32096E-02 ppm1      3.888 ppm2      4.489 CV     1
 ASSI { 1298}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HA  ))
      3.000     1.100     1.100 peak  1298 spectrum    1 weight  0.11000E+01 volume  0.27293E-02 ppm1      3.785 ppm2      4.489 CV     1
 ASSI { 1300}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 115  and name HA2 ))
      2.100     0.600     0.600 peak  1300 spectrum    1 weight  0.11000E+01 volume  0.20738E-02 ppm1      4.128 ppm2      3.750 CV     1
 ASSI { 1301}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.500     1.500     1.500 peak  1301 spectrum    1 weight  0.11000E+01 volume  0.67791E-03 ppm1      4.355 ppm2      4.063 CV     1
 OR { 1301}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI { 1303}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HA2 ))
      1.300     0.200     0.900 peak  1303 spectrum    1 weight  0.11000E+01 volume  0.28261E-02 ppm1      4.072 ppm2      3.579 CV     1
 ASSI { 1307}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.800     1.800     1.800 peak  1307 spectrum    1 weight  0.11000E+01 volume  0.19689E-02 ppm1      8.625 ppm2      2.064 CV     1
 ASSI { 1308}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      5.000     3.100     1.000 peak  1308 spectrum    1 weight  0.11000E+01 volume  0.61743E-03 ppm1      8.582 ppm2      2.065 CV     1
 ASSI { 1309}
   (( segid "    " and resid 47   and name HA1 ))
   (( segid "    " and resid 47   and name HA2 ))
      1.800     0.400     0.400 peak  1309 spectrum    1 weight  0.11000E+01 volume  0.73702E-02 ppm1      4.088 ppm2      3.863 CV     1
 ASSI { 1310}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.000     1.100     1.100 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.41282E-03 ppm1      8.785 ppm2      6.814 CV     1
 ASSI { 1324}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG2 ))
      1.900     0.500     0.500 peak  1324 spectrum    1 weight  0.11000E+01 volume  0.22926E-01 ppm1      2.157 ppm2      2.001 CV     1
 OR { 1324}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HG1 ))
 OR { 1324}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG1 ))
 OR { 1324}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HG2 ))
 ASSI { 1325}
   (( segid "    " and resid 101  and name HB  ))
   (( segid "    " and resid 101  and name HA  ))
      4.000     2.000     2.000 peak  1325 spectrum    1 weight  0.11000E+01 volume  0.20052E-03 ppm1      4.139 ppm2      4.755 CV     1
 ASSI { 1337}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.200     1.300     1.300 peak  1337 spectrum    1 weight  0.11000E+01 volume  0.19459E-02 ppm1      8.447 ppm2      4.018 CV     1
 ASSI { 1338}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      4.300     2.400     1.700 peak  1338 spectrum    1 weight  0.11000E+01 volume  0.10794E-02 ppm1      8.069 ppm2      2.382 CV     1
 ASSI { 1339}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HG2 ))
      3.800     1.800     1.800 peak  1339 spectrum    1 weight  0.11000E+01 volume  0.10366E-02 ppm1      7.667 ppm2      2.381 CV     1
 ASSI { 1340}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HG1 ))
      3.900     1.900     1.900 peak  1340 spectrum    1 weight  0.11000E+01 volume  0.10085E-02 ppm1      7.667 ppm2      2.436 CV     1
 ASSI { 1342}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HG2 ))
      5.500     3.800     0.500 peak  1342 spectrum    1 weight  0.11000E+01 volume  0.61493E-03 ppm1      6.946 ppm2      2.379 CV     1
 ASSI { 1343}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.200     0.600     0.600 peak  1343 spectrum    1 weight  0.11000E+01 volume  0.26335E-02 ppm1      8.069 ppm2      4.168 CV     1
 ASSI { 1344}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1344 spectrum    1 weight  0.11000E+01 volume  0.11319E-02 ppm1      8.621 ppm2      4.884 CV     1
 ASSI { 1345}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.500     1.500 peak  1345 spectrum    1 weight  0.11000E+01 volume  0.96407E-03 ppm1      7.812 ppm2      3.679 CV     1
 ASSI { 1349}
   (  segid "    " and resid 76   and name HE% )
   (  segid "    " and resid 76   and name HD% )
      2.300     0.600     0.600 peak  1349 spectrum    1 weight  0.11000E+01 volume  0.17298E-01 ppm1      6.566 ppm2      6.321 CV     1
 ASSI { 1350}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 118  and name HE% )
      1.500     0.300     0.700 peak  1350 spectrum    1 weight  0.11000E+01 volume  0.16793E-01 ppm1      6.814 ppm2      6.582 CV     1
 ASSI { 1351}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 42   and name HE% )
      1.700     0.300     0.500 peak  1351 spectrum    1 weight  0.11000E+01 volume  0.30201E-01 ppm1      6.975 ppm2      6.649 CV     1
 ASSI { 1352}
   (( segid "    " and resid 119  and name HE3 ))
   (( segid "    " and resid 119  and name HZ3 ))
      1.500     0.300     0.700 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.15335E-01 ppm1      6.916 ppm2      6.660 CV     1
 ASSI { 1353}
   (  segid "    " and resid 121  and name HE% )
   (( segid "    " and resid 121  and name HZ  ))
      1.600     0.300     0.600 peak  1353 spectrum    1 weight  0.11000E+01 volume  0.16186E-01 ppm1      6.993 ppm2      6.737 CV     1
 ASSI { 1362}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 96   and name HE% )
      2.000     0.500     0.500 peak  1362 spectrum    1 weight  0.11000E+01 volume  0.33247E-01 ppm1      7.310 ppm2      7.174 CV     1
 ASSI { 1368}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 119  and name HZ3 ))
      3.500     1.500     1.500 peak  1368 spectrum    1 weight  0.11000E+01 volume  0.45977E-02 ppm1      7.320 ppm2      6.660 CV     1
 ASSI { 1369}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HZ  ))
      3.700     1.700     1.700 peak  1369 spectrum    1 weight  0.11000E+01 volume  0.23895E-02 ppm1      7.248 ppm2      6.737 CV     1
 ASSI { 1370}
   (  segid "    " and resid 98   and name HD% )
   (  segid "    " and resid 98   and name HE% )
      2.200     0.600     0.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.24400E-01 ppm1      7.180 ppm2      6.842 CV     1
 ASSI { 1374}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 118  and name HB2 ))
      4.100     2.100     1.900 peak  1374 spectrum    1 weight  0.11000E+01 volume  0.69272E-03 ppm1      6.582 ppm2      2.695 CV     1
 ASSI { 1375}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 118  and name HB1 ))
      4.200     2.200     1.800 peak  1375 spectrum    1 weight  0.11000E+01 volume  0.61185E-03 ppm1      6.582 ppm2      2.861 CV     1
 ASSI { 1376}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 118  and name HB1 ))
      1.600     0.300     0.600 peak  1376 spectrum    1 weight  0.11000E+01 volume  0.59719E-02 ppm1      6.814 ppm2      2.861 CV     1
 ASSI { 1377}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 118  and name HB2 ))
      1.600     0.300     0.600 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.69363E-02 ppm1      6.814 ppm2      2.699 CV     1
 ASSI { 1378}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      2.200     0.600     0.600 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      9.575 ppm2      0.305 CV     1
 ASSI { 1379}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      4.600     2.700     1.400 peak  1379 spectrum    1 weight  0.11000E+01 volume  0.14777E-02 ppm1      9.575 ppm2      0.766 CV     1
 ASSI { 1380}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.100     1.200     1.200 peak  1380 spectrum    1 weight  0.11000E+01 volume  0.96230E-03 ppm1      7.438 ppm2      1.973 CV     1
 ASSI { 1382}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HB1 ))
      4.300     2.300     1.700 peak  1382 spectrum    1 weight  0.11000E+01 volume  0.90765E-03 ppm1      7.602 ppm2      2.023 CV     1
 ASSI { 1383}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak  1383 spectrum    1 weight  0.11000E+01 volume  0.15038E-02 ppm1      8.860 ppm2      1.972 CV     1
 ASSI { 1384}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 42   and name HB2 ))
      1.900     0.400     0.400 peak  1384 spectrum    1 weight  0.11000E+01 volume  0.99890E-02 ppm1      6.974 ppm2      2.777 CV     1
 OR { 1384}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1385}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.700     0.700 peak  1385 spectrum    1 weight  0.11000E+01 volume  0.30374E-02 ppm1      6.975 ppm2      5.290 CV     1
 ASSI { 1386}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.500     1.500     1.500 peak  1386 spectrum    1 weight  0.11000E+01 volume  0.16811E-02 ppm1      9.239 ppm2      1.983 CV     1
 ASSI { 1387}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  1387 spectrum    1 weight  0.11000E+01 volume  0.10047E-02 ppm1      9.238 ppm2      1.816 CV     1
 ASSI { 1388}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 62   and name HD% )
      2.600     0.800     0.800 peak  1388 spectrum    1 weight  0.11000E+01 volume  0.81299E-02 ppm1      6.870 ppm2      5.710 CV     1
 ASSI { 1389}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 62   and name HD% )
      5.000     3.100     1.000 peak  1389 spectrum    1 weight  0.11000E+01 volume  0.19028E-02 ppm1      6.961 ppm2      5.710 CV     1
 ASSI { 1393}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HA  ))
      2.800     1.000     1.000 peak  1393 spectrum    1 weight  0.11000E+01 volume  0.17612E-02 ppm1      7.248 ppm2      5.507 CV     1
 ASSI { 1394}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      2.200     0.600     0.600 peak  1394 spectrum    1 weight  0.11000E+01 volume  0.13070E-02 ppm1      9.434 ppm2      3.163 CV     1
 ASSI { 1395}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HB2 ))
      2.100     0.600     0.600 peak  1395 spectrum    1 weight  0.11000E+01 volume  0.33783E-02 ppm1      7.248 ppm2      3.163 CV     1
 ASSI { 1396}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 121  and name HB1 ))
      2.000     0.500     0.500 peak  1396 spectrum    1 weight  0.11000E+01 volume  0.42709E-02 ppm1      7.248 ppm2      3.200 CV     1
 ASSI { 1397}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 119  and name HB2 ))
      2.200     0.600     0.600 peak  1397 spectrum    1 weight  0.11000E+01 volume  0.10709E-02 ppm1      6.844 ppm2      2.581 CV     1
 ASSI { 1398}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 119  and name HB1 ))
      2.500     2.500     3.500 peak  1398 spectrum    1 weight  0.11000E+01 volume  0.29498E-02 ppm1      6.844 ppm2      2.745 CV     1
 ASSI { 1399}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 118  and name HA  ))
      2.900     1.000     1.000 peak  1399 spectrum    1 weight  0.11000E+01 volume  0.62992E-03 ppm1      6.813 ppm2      4.867 CV     1
 ASSI { 1400}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HB2 ))
      2.500     0.800     0.800 peak  1400 spectrum    1 weight  0.11000E+01 volume  0.56351E-02 ppm1      7.122 ppm2      3.096 CV     1
 ASSI { 1401}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HB1 ))
      2.400     0.700     0.700 peak  1401 spectrum    1 weight  0.11000E+01 volume  0.52368E-02 ppm1      7.122 ppm2      3.277 CV     1
 ASSI { 1402}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 92   and name HA  ))
      3.400     1.400     1.400 peak  1402 spectrum    1 weight  0.11000E+01 volume  0.29272E-02 ppm1      7.121 ppm2      4.948 CV     1
 ASSI { 1404}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak  1404 spectrum    1 weight  0.11000E+01 volume  0.33133E-02 ppm1      6.939 ppm2      4.099 CV     1
 ASSI { 1405}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HB1 ))
      2.200     0.600     0.600 peak  1405 spectrum    1 weight  0.11000E+01 volume  0.40664E-02 ppm1      6.939 ppm2      3.011 CV     1
 ASSI { 1406}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HB2 ))
      2.400     0.700     0.700 peak  1406 spectrum    1 weight  0.11000E+01 volume  0.30492E-02 ppm1      6.939 ppm2      2.972 CV     1
 ASSI { 1407}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.500     1.500 peak  1407 spectrum    1 weight  0.11000E+01 volume  0.19364E-03 ppm1      7.568 ppm2      2.972 CV     1
 ASSI { 1408}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.200     2.200     1.800 peak  1408 spectrum    1 weight  0.11000E+01 volume  0.78558E-03 ppm1      8.337 ppm2      2.980 CV     1
 ASSI { 1409}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB2 ))
      3.500     1.500     1.500 peak  1409 spectrum    1 weight  0.11000E+01 volume  0.16586E-02 ppm1      7.561 ppm2      2.713 CV     1
 ASSI { 1410}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB1 ))
      4.400     2.400     1.600 peak  1410 spectrum    1 weight  0.11000E+01 volume  0.15829E-02 ppm1      6.941 ppm2      2.756 CV     1
 ASSI { 1411}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.400     1.400     1.400 peak  1411 spectrum    1 weight  0.11000E+01 volume  0.19814E-02 ppm1      8.124 ppm2      2.756 CV     1
 ASSI { 1412}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      4.900     3.000     1.100 peak  1412 spectrum    1 weight  0.11000E+01 volume  0.39125E-03 ppm1      7.881 ppm2      2.756 CV     1
 ASSI { 1414}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  1414 spectrum    1 weight  0.11000E+01 volume  0.38507E-02 ppm1      6.319 ppm2      3.660 CV     1
 ASSI { 1415}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.200     1.200 peak  1415 spectrum    1 weight  0.11000E+01 volume  0.22698E-02 ppm1      6.318 ppm2      3.083 CV     1
 ASSI { 1416}
   (  segid "    " and resid 76   and name HD% )
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak  1416 spectrum    1 weight  0.11000E+01 volume  0.26551E-02 ppm1      6.319 ppm2      2.886 CV     1
 ASSI { 1417}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HD1 ))
      2.800     1.000     1.000 peak  1417 spectrum    1 weight  0.11000E+01 volume  0.52960E-02 ppm1      7.324 ppm2      5.972 CV     1
 OR { 1417}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI { 1420}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.300     0.600     0.600 peak  1420 spectrum    1 weight  0.11000E+01 volume  0.30308E-02 ppm1      7.080 ppm2      5.746 CV     1
 ASSI { 1421}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HA  ))
      4.000     2.000     2.000 peak  1421 spectrum    1 weight  0.11000E+01 volume  0.61731E-03 ppm1      7.080 ppm2      5.783 CV     1
 ASSI { 1422}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 83   and name HG1%)
      5.500     3.700     0.500 peak  1422 spectrum    1 weight  0.11000E+01 volume  0.12556E-02 ppm1      7.353 ppm2     -0.504 CV     1
 ASSI { 1423}
   (  segid "    " and resid 79   and name HD% )
   (  segid "    " and resid 83   and name HG1%)
      5.600     5.600     0.400 peak  1423 spectrum    1 weight  0.11000E+01 volume  0.24671E-02 ppm1      6.940 ppm2     -0.504 CV     1
 ASSI { 1424}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 83   and name HG1%)
      4.600     4.600     1.400 peak  1424 spectrum    1 weight  0.11000E+01 volume  0.35517E-02 ppm1      6.902 ppm2     -0.504 CV     1
 ASSI { 1425}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 79   and name HD% )
      1.900     0.500     0.500 peak  1425 spectrum    1 weight  0.11000E+01 volume  0.94240E-02 ppm1      7.351 ppm2      6.934 CV     1
 ASSI { 1426}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 79   and name HZ  ))
      1.600     0.300     0.600 peak  1426 spectrum    1 weight  0.11000E+01 volume  0.11116E-01 ppm1      7.351 ppm2      6.900 CV     1
 ASSI { 1427}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.000     2.000     2.000 peak  1427 spectrum    1 weight  0.11000E+01 volume  0.45935E-03 ppm1      9.450 ppm2      0.229 CV     1
 ASSI { 1428}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      1.900     0.400     0.400 peak  1428 spectrum    1 weight  0.11000E+01 volume  0.15775E-02 ppm1      9.450 ppm2      1.251 CV     1
 ASSI { 1429}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      5.100     3.200     0.900 peak  1429 spectrum    1 weight  0.11000E+01 volume  0.26572E-03 ppm1      9.450 ppm2     -0.489 CV     1
 ASSI { 1431}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.500     1.500 peak  1431 spectrum    1 weight  0.11000E+01 volume  0.62957E-03 ppm1      9.450 ppm2      1.634 CV     1
 ASSI { 1433}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.900     1.100     1.100 peak  1433 spectrum    1 weight  0.11000E+01 volume  0.22249E-02 ppm1      8.544 ppm2      3.977 CV     1
 OR { 1433}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI { 1435}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      2.700     0.900     0.900 peak  1435 spectrum    1 weight  0.11000E+01 volume  0.64417E-02 ppm1      8.392 ppm2      1.401 CV     1
 ASSI { 1436}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.100     1.200     1.200 peak  1436 spectrum    1 weight  0.11000E+01 volume  0.14247E-03 ppm1      9.286 ppm2      0.779 CV     1
 ASSI { 1437}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
      5.000     3.200     1.000 peak  1437 spectrum    1 weight  0.11000E+01 volume  0.31124E-03 ppm1      9.286 ppm2      0.532 CV     1
 ASSI { 1438}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG12))
      4.500     2.500     1.500 peak  1438 spectrum    1 weight  0.11000E+01 volume  0.42575E-03 ppm1      9.286 ppm2      0.514 CV     1
 ASSI { 1439}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
      2.300     0.600     0.600 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.19502E-02 ppm1      8.393 ppm2      0.532 CV     1
 ASSI { 1443}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      5.400     3.700     0.600 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.52509E-03 ppm1      8.392 ppm2      1.970 CV     1
 ASSI { 1447}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.900     1.900     1.900 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.44084E-03 ppm1      8.336 ppm2      1.751 CV     1
 ASSI { 1452}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.200     3.300     0.800 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.24466E-03 ppm1      8.678 ppm2      1.636 CV     1
 ASSI { 1454}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      5.800     4.200     0.200 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.21784E-03 ppm1      8.968 ppm2      2.872 CV     1
 ASSI { 1455}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      5.300     3.500     0.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.28800E-03 ppm1      8.968 ppm2      5.459 CV     1
 ASSI { 1457}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      2.300     0.600     0.600 peak  1457 spectrum    1 weight  0.11000E+01 volume  0.13709E-02 ppm1      8.753 ppm2      0.732 CV     1
 ASSI { 1458}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.300     1.400     1.400 peak  1458 spectrum    1 weight  0.11000E+01 volume  0.16731E-02 ppm1      8.753 ppm2      0.647 CV     1
 ASSI { 1459}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.000     2.000     2.000 peak  1459 spectrum    1 weight  0.11000E+01 volume  0.75014E-03 ppm1      8.753 ppm2      0.306 CV     1
 ASSI { 1464}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
      5.300     3.500     0.700 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.18973E-03 ppm1      7.438 ppm2      0.529 CV     1
 ASSI { 1465}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.700     2.800     1.300 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.64149E-03 ppm1      8.480 ppm2      2.444 CV     1
 OR { 1465}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1466}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      4.800     2.900     1.200 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.54464E-03 ppm1      8.481 ppm2      2.076 CV     1
 OR { 1466}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1467}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.800     1.800     1.800 peak  1467 spectrum    1 weight  0.11000E+01 volume  0.96787E-03 ppm1      8.481 ppm2      2.156 CV     1
 ASSI { 1469}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      6.000     5.100     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.36374E-03 ppm1      8.068 ppm2      0.616 CV     1
 OR { 1469}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
 ASSI { 1472}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.400     1.400     1.400 peak  1472 spectrum    1 weight  0.11000E+01 volume  0.21854E-02 ppm1      8.372 ppm2      2.029 CV     1
 ASSI { 1473}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      3.000     3.000     3.000 peak  1473 spectrum    1 weight  0.11000E+01 volume  0.93250E-03 ppm1      8.372 ppm2      0.932 CV     1
 ASSI { 1474}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.500     1.600     1.600 peak  1474 spectrum    1 weight  0.11000E+01 volume  0.96557E-03 ppm1      8.481 ppm2      2.118 CV     1
 ASSI { 1476}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.300     2.300     1.700 peak  1476 spectrum    1 weight  0.11000E+01 volume  0.65286E-03 ppm1      8.069 ppm2      1.844 CV     1
 ASSI { 1477}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak  1477 spectrum    1 weight  0.11000E+01 volume  0.66641E-03 ppm1      8.069 ppm2      1.905 CV     1
 ASSI { 1480}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.500     1.500 peak  1480 spectrum    1 weight  0.11000E+01 volume  0.10226E-02 ppm1      7.631 ppm2      4.239 CV     1
 ASSI { 1481}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      3.600     1.600     1.600 peak  1481 spectrum    1 weight  0.11000E+01 volume  0.21869E-02 ppm1      7.631 ppm2      0.616 CV     1
 OR { 1481}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
 ASSI { 1482}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      4.200     2.200     1.800 peak  1482 spectrum    1 weight  0.11000E+01 volume  0.14310E-02 ppm1      7.563 ppm2      0.616 CV     1
 OR { 1482}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI { 1483}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      3.600     1.600     1.600 peak  1483 spectrum    1 weight  0.11000E+01 volume  0.20816E-02 ppm1      7.563 ppm2      1.180 CV     1
 OR { 1483}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 1484}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.800     2.900     1.200 peak  1484 spectrum    1 weight  0.11000E+01 volume  0.21398E-02 ppm1      7.563 ppm2      0.903 CV     1
 ASSI { 1485}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.300     1.300 peak  1485 spectrum    1 weight  0.11000E+01 volume  0.25802E-02 ppm1      7.563 ppm2      1.666 CV     1
 ASSI { 1486}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.800     1.000     1.000 peak  1486 spectrum    1 weight  0.11000E+01 volume  0.56780E-02 ppm1      7.563 ppm2      1.836 CV     1
 ASSI { 1487}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 86   and name HA1 ))
      4.200     2.200     1.800 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.56251E-03 ppm1      7.563 ppm2      4.240 CV     1
 ASSI { 1488}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      4.300     2.300     1.700 peak  1488 spectrum    1 weight  0.11000E+01 volume  0.53129E-03 ppm1      7.564 ppm2      2.019 CV     1
 ASSI { 1489}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      4.000     2.000     2.000 peak  1489 spectrum    1 weight  0.11000E+01 volume  0.56605E-03 ppm1      7.631 ppm2      2.020 CV     1
 ASSI { 1490}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak  1490 spectrum    1 weight  0.11000E+01 volume  0.16213E-02 ppm1      7.563 ppm2      4.064 CV     1
 ASSI { 1491}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      2.500     2.500     3.500 peak  1491 spectrum    1 weight  0.11000E+01 volume  0.31296E-02 ppm1      9.015 ppm2      0.903 CV     1
 ASSI { 1494}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.800     1.000     1.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.10132E-02 ppm1      9.015 ppm2      2.030 CV     1
 ASSI { 1495}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.200     2.200     1.800 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.36245E-03 ppm1      9.015 ppm2      1.840 CV     1
 ASSI { 1496}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
      3.200     1.300     1.300 peak  1496 spectrum    1 weight  0.11000E+01 volume  0.13945E-02 ppm1      7.717 ppm2      4.341 CV     1
 ASSI { 1497}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      1.900     0.400     0.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.18913E-02 ppm1      7.717 ppm2      2.038 CV     1
 ASSI { 1498}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.11000E+01 volume  0.49249E-03 ppm1      7.717 ppm2      0.726 CV     1
 ASSI { 1500}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      5.800     4.200     0.200 peak  1500 spectrum    1 weight  0.11000E+01 volume  0.38859E-03 ppm1      9.241 ppm2      5.710 CV     1
 ASSI { 1502}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1502 spectrum    1 weight  0.11000E+01 volume  0.22061E-02 ppm1      7.809 ppm2      4.189 CV     1
 ASSI { 1503}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.500     1.500 peak  1503 spectrum    1 weight  0.11000E+01 volume  0.47265E-03 ppm1      7.911 ppm2      4.189 CV     1
 ASSI { 1504}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.600     2.600     1.400 peak  1504 spectrum    1 weight  0.11000E+01 volume  0.68464E-03 ppm1      7.911 ppm2      2.714 CV     1
 ASSI { 1506}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      4.000     2.000     2.000 peak  1506 spectrum    1 weight  0.11000E+01 volume  0.20141E-02 ppm1      7.809 ppm2      1.424 CV     1
 ASSI { 1507}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.500     1.600     1.600 peak  1507 spectrum    1 weight  0.11000E+01 volume  0.20911E-02 ppm1      7.809 ppm2      1.736 CV     1
 OR { 1507}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 1508}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD1 ))
      5.000     3.100     1.000 peak  1508 spectrum    1 weight  0.11000E+01 volume  0.19181E-02 ppm1      7.809 ppm2      1.246 CV     1
 OR { 1508}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1509}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      5.100     3.200     0.900 peak  1509 spectrum    1 weight  0.11000E+01 volume  0.51868E-03 ppm1      6.658 ppm2      2.714 CV     1
 ASSI { 1510}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.800     2.900     1.200 peak  1510 spectrum    1 weight  0.11000E+01 volume  0.57158E-03 ppm1      8.388 ppm2      3.459 CV     1
 ASSI { 1511}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      3.500     1.600     1.600 peak  1511 spectrum    1 weight  0.11000E+01 volume  0.83610E-03 ppm1      8.388 ppm2      4.015 CV     1
 OR { 1511}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
 ASSI { 1512}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.600     2.600     1.400 peak  1512 spectrum    1 weight  0.11000E+01 volume  0.23430E-03 ppm1      7.817 ppm2      3.438 CV     1
 ASSI { 1513}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      5.300     3.600     0.700 peak  1513 spectrum    1 weight  0.11000E+01 volume  0.45541E-03 ppm1      7.817 ppm2      2.344 CV     1
 ASSI { 1514}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      5.700     4.100     0.300 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.97857E-03 ppm1      8.248 ppm2      1.417 CV     1
 ASSI { 1515}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      4.500     2.500     1.500 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.87166E-03 ppm1      7.725 ppm2     -0.504 CV     1
 ASSI { 1516}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      5.500     3.700     0.500 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.21461E-03 ppm1      8.124 ppm2      1.049 CV     1
 ASSI { 1517}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
      6.000     5.500     0.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.77034E-04 ppm1      8.124 ppm2      1.722 CV     1
 ASSI { 1519}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 96   and name HB2 ))
      2.900     1.000     1.000 peak  1519 spectrum    1 weight  0.11000E+01 volume  0.22533E-02 ppm1      7.310 ppm2      3.166 CV     1
 ASSI { 1520}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 96   and name HB1 ))
      2.900     1.000     1.000 peak  1520 spectrum    1 weight  0.11000E+01 volume  0.29061E-02 ppm1      7.310 ppm2      3.299 CV     1
 ASSI { 1521}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak  1521 spectrum    1 weight  0.11000E+01 volume  0.28557E-02 ppm1      7.310 ppm2      5.002 CV     1
 ASSI { 1522}
   (  segid "    " and resid 96   and name HD% )
   (( segid "    " and resid 96   and name HZ  ))
      4.000     2.000     2.000 peak  1522 spectrum    1 weight  0.11000E+01 volume  0.66420E-02 ppm1      7.311 ppm2      7.095 CV     1
 ASSI { 1523}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.800     1.000     1.000 peak  1523 spectrum    1 weight  0.11000E+01 volume  0.18109E-02 ppm1      8.597 ppm2      5.002 CV     1
 ASSI { 1528}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.400     0.700     0.700 peak  1528 spectrum    1 weight  0.11000E+01 volume  0.35448E-02 ppm1      8.914 ppm2      1.725 CV     1
 ASSI { 1529}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      2.200     0.600     0.600 peak  1529 spectrum    1 weight  0.11000E+01 volume  0.48633E-02 ppm1      8.914 ppm2      1.796 CV     1
 ASSI { 1530}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      5.200     3.300     0.800 peak  1530 spectrum    1 weight  0.11000E+01 volume  0.65164E-03 ppm1      8.914 ppm2      1.448 CV     1
 ASSI { 1531}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      5.000     3.200     1.000 peak  1531 spectrum    1 weight  0.11000E+01 volume  0.67119E-03 ppm1      8.914 ppm2      1.368 CV     1
 ASSI { 1532}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      2.700     0.900     0.900 peak  1532 spectrum    1 weight  0.11000E+01 volume  0.11775E-02 ppm1      9.256 ppm2      1.368 CV     1
 ASSI { 1533}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      3.100     1.200     1.200 peak  1533 spectrum    1 weight  0.11000E+01 volume  0.45359E-03 ppm1      9.256 ppm2      1.446 CV     1
 ASSI { 1534}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      4.000     2.000     2.000 peak  1534 spectrum    1 weight  0.11000E+01 volume  0.66225E-03 ppm1      9.256 ppm2      1.796 CV     1
 ASSI { 1535}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      4.800     2.900     1.200 peak  1535 spectrum    1 weight  0.11000E+01 volume  0.27299E-03 ppm1      9.256 ppm2      1.725 CV     1
 ASSI { 1538}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      3.500     1.500     1.500 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      9.034 ppm2      1.362 CV     1
 OR { 1538}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG1 ))
 ASSI { 1539}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.800     1.900     1.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.12061E-02 ppm1      9.034 ppm2      1.808 CV     1
 ASSI { 1540}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      4.900     3.000     1.100 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.26476E-03 ppm1      9.034 ppm2      1.955 CV     1
 ASSI { 1542}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HD2%)
      6.000     6.000     0.000 peak  1542 spectrum    1 weight  0.11000E+01 volume  0.19920E-03 ppm1      8.815 ppm2      0.915 CV     1
 OR { 1542}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HD1%)
 ASSI { 1543}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HG  ))
      4.900     3.000     1.100 peak  1543 spectrum    1 weight  0.11000E+01 volume  0.28242E-03 ppm1      8.815 ppm2      1.655 CV     1
 ASSI { 1546}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 110  and name HG2 ))
      5.200     3.300     0.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.11925E-02 ppm1      6.814 ppm2      1.477 CV     1
 OR { 1546}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1551}
   (( segid "    " and resid 119  and name HE3 ))
   (( segid "    " and resid 119  and name HB2 ))
      3.000     1.100     1.100 peak  1551 spectrum    1 weight  0.11000E+01 volume  0.20998E-02 ppm1      6.916 ppm2      2.581 CV     1
 ASSI { 1552}
   (( segid "    " and resid 119  and name HE3 ))
   (( segid "    " and resid 119  and name HB1 ))
      1.700     0.400     0.500 peak  1552 spectrum    1 weight  0.11000E+01 volume  0.35196E-02 ppm1      6.916 ppm2      2.745 CV     1
 ASSI { 1553}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 119  and name HA  ))
      3.400     1.400     1.400 peak  1553 spectrum    1 weight  0.11000E+01 volume  0.27083E-03 ppm1      6.844 ppm2      5.136 CV     1
 ASSI { 1554}
   (( segid "    " and resid 119  and name HE3 ))
   (( segid "    " and resid 119  and name HA  ))
      3.100     1.200     1.200 peak  1554 spectrum    1 weight  0.11000E+01 volume  0.11281E-02 ppm1      6.916 ppm2      5.136 CV     1
 ASSI { 1557}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 120  and name HG1%)
      4.200     2.200     1.800 peak  1557 spectrum    1 weight  0.11000E+01 volume  0.23234E-03 ppm1      9.434 ppm2      1.553 CV     1
 ASSI { 1558}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      2.800     1.000     1.000 peak  1558 spectrum    1 weight  0.11000E+01 volume  0.10222E-02 ppm1      9.381 ppm2      0.641 CV     1
 ASSI { 1560}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      2.700     2.700     3.300 peak  1560 spectrum    1 weight  0.11000E+01 volume  0.19068E-02 ppm1      9.434 ppm2      0.641 CV     1
 ASSI { 1561}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      3.200     1.200     1.200 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.13720E-02 ppm1      8.632 ppm2      1.339 CV     1
 ASSI { 1562}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HD1 ))
      5.700     4.000     0.300 peak  1562 spectrum    1 weight  0.11000E+01 volume  0.33515E-03 ppm1      8.632 ppm2      2.988 CV     1
 OR { 1562}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HD2 ))
 ASSI { 1563}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 33   and name HD1%)
      3.100     1.200     1.200 peak  1563 spectrum    1 weight  0.11000E+01 volume  0.11893E-02 ppm1      7.351 ppm2      0.228 CV     1
 ASSI { 1564}
   (  segid "    " and resid 79   and name HD% )
   (  segid "    " and resid 33   and name HD1%)
      4.600     2.600     1.400 peak  1564 spectrum    1 weight  0.11000E+01 volume  0.14450E-02 ppm1      6.934 ppm2      0.228 CV     1
 ASSI { 1565}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak  1565 spectrum    1 weight  0.11000E+01 volume  0.32700E-02 ppm1      6.900 ppm2      0.228 CV     1
 ASSI { 1579}
   (  segid "    " and resid 92   and name HD% )
   (  segid "    " and resid 107  and name HG2%)
      4.000     2.000     2.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.27322E-02 ppm1      7.119 ppm2      0.635 CV     1
 ASSI { 1581}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 31   and name HG11))
      1.800     0.400     0.400 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.72773E-02 ppm1      6.973 ppm2      0.523 CV     1
 OR { 1581}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 31   and name HG12))
 ASSI { 1584}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 83   and name HG2%)
      3.600     1.700     1.700 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.19546E-02 ppm1      6.815 ppm2      0.667 CV     1
 ASSI { 1592}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 88   and name HG  ))
      2.800     2.800     3.200 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      6.815 ppm2      1.048 CV     1
 ASSI { 1596}
   (  segid "    " and resid 118  and name HE% )
   (  segid "    " and resid 83   and name HG2%)
      2.600     2.600     3.400 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.43719E-02 ppm1      6.583 ppm2      0.666 CV     1
 ASSI { 1607}
   (  segid "    " and resid 96   and name HE% )
   (  segid "    " and resid 103  and name HG2%)
      2.300     2.300     3.700 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.45220E-02 ppm1      7.174 ppm2      1.172 CV     1
 ASSI { 1608}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 103  and name HG2%)
      5.000     3.100     1.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.76647E-03 ppm1      7.308 ppm2      1.170 CV     1
 ASSI { 1615}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 110  and name HG1 ))
      3.900     1.900     1.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.94744E-03 ppm1      7.246 ppm2      1.486 CV     1
 OR { 1615}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 110  and name HG2 ))
 ASSI { 1621}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HG2 ))
      4.300     2.300     1.700 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.83126E-03 ppm1      7.083 ppm2      2.273 CV     1
 OR { 1621}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 1625}
   (  segid "    " and resid 92   and name HD% )
   (( segid "    " and resid 94   and name HB1 ))
      3.100     1.200     1.200 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.11995E-01 ppm1      7.120 ppm2      2.862 CV     1
 ASSI { 1626}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.400     3.400     2.600 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.69965E-02 ppm1      6.901 ppm2      2.861 CV     1
 ASSI { 1630}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.16864E-02 ppm1      6.583 ppm2      3.313 CV     1
 ASSI { 1632}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 80   and name HA  ))
      3.800     1.800     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.64344E-03 ppm1      6.935 ppm2      3.440 CV     1
 ASSI { 1634}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 108  and name HB1 ))
      3.300     1.400     1.400 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.14904E-02 ppm1      7.247 ppm2      3.457 CV     1
 ASSI { 1639}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 35   and name HA1 ))
      2.400     0.700     0.700 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.99890E-03 ppm1      6.816 ppm2      3.893 CV     1
 OR { 1639}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 35   and name HA2 ))
 ASSI { 1640}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 35   and name HA2 ))
      1.500     0.300     0.700 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.53249E-02 ppm1      6.583 ppm2      3.892 CV     1
 OR { 1640}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1642}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 44   and name HA  ))
      5.200     3.400     0.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.14561E-02 ppm1      6.974 ppm2      4.374 CV     1
 ASSI { 1645}
   (  segid "    " and resid 42   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
      4.700     2.700     1.300 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.23656E-02 ppm1      6.651 ppm2      4.368 CV     1
 ASSI { 1646}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 117  and name HA  ))
      2.700     0.900     0.900 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.18595E-02 ppm1      6.814 ppm2      4.549 CV     1
 ASSI { 1648}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HA  ))
      4.200     2.200     1.800 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.23560E-03 ppm1      6.581 ppm2      4.445 CV     1
 ASSI { 1649}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 117  and name HA  ))
      4.000     2.000     2.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.34293E-03 ppm1      6.582 ppm2      4.549 CV     1
 ASSI { 1650}
   (  segid "    " and resid 98   and name HD% )
   (( segid "    " and resid 99   and name HA  ))
      4.700     2.800     1.300 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.33510E-02 ppm1      7.178 ppm2      4.710 CV     1
 ASSI { 1653}
   (  segid "    " and resid 121  and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      7.249 ppm2      5.220 CV     1
 ASSI { 1654}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.71533E-03 ppm1      6.816 ppm2      5.067 CV     1
 ASSI { 1660}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.900     1.000     1.000 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.45284E-03 ppm1      5.746 ppm2      3.076 CV     1
 ASSI { 1661}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 65   and name HB1 ))
      4.200     2.200     1.800 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.99307E-03 ppm1      5.707 ppm2      2.757 CV     1
 ASSI { 1666}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.300     0.700     0.700 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.82288E-03 ppm1      5.452 ppm2      1.627 CV     1
 ASSI { 1668}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 60   and name HD1 ))
      2.600     2.600     3.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.26495E-02 ppm1      5.709 ppm2      0.763 CV     1
 ASSI { 1673}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.19673E-02 ppm1      5.455 ppm2      0.306 CV     1
 ASSI { 1674}
   (  segid "    " and resid 118  and name HD% )
   (  segid "    " and resid 83   and name HG1%)
      5.000     3.200     1.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.93586E-03 ppm1      6.814 ppm2     -0.502 CV     1
 ASSI { 1675}
   (  segid "    " and resid 118  and name HE% )
   (  segid "    " and resid 83   and name HG1%)
      2.900     1.100     1.100 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.25306E-02 ppm1      6.582 ppm2     -0.502 CV     1
 ASSI { 1676}
   (( segid "    " and resid 35   and name HA2 ))
   (  segid "    " and resid 83   and name HG1%)
      4.000     2.000     2.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.11890E-02 ppm1      3.892 ppm2     -0.503 CV     1
 OR { 1676}
   (( segid "    " and resid 35   and name HA1 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 1678}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
      2.200     0.600     0.600 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.80166E-02 ppm1      3.311 ppm2     -0.503 CV     1
 ASSI { 1679}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
      2.000     0.500     0.500 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.12946E-01 ppm1      1.527 ppm2     -0.502 CV     1
 ASSI { 1682}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 83   and name HG1%)
      2.200     2.200     3.800 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.14649E-01 ppm1      0.665 ppm2     -0.502 CV     1
 ASSI { 1686}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      2.500     0.800     0.800 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.91190E-03 ppm1      1.629 ppm2      0.230 CV     1
 ASSI { 1687}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
      3.100     1.200     1.200 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.21159E-02 ppm1      1.751 ppm2      0.230 CV     1
 ASSI { 1688}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 39   and name HG2%)
      3.500     1.600     1.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.60382E-03 ppm1      1.751 ppm2      0.306 CV     1
 ASSI { 1689}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      3.800     1.800     1.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.18018E-02 ppm1      1.635 ppm2      0.307 CV     1
 ASSI { 1694}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 31   and name HG11))
      3.300     1.300     1.300 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.49722E-03 ppm1      2.769 ppm2      0.535 CV     1
 OR { 1694}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 31   and name HG11))
 ASSI { 1697}
   (( segid "    " and resid 109  and name HG1 ))
   (  segid "    " and resid 120  and name HG1%)
      4.000     2.000     2.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.85008E-03 ppm1      2.713 ppm2      0.583 CV     1
 OR { 1697}
   (( segid "    " and resid 109  and name HG2 ))
   (  segid "    " and resid 120  and name HG1%)
 ASSI { 1698}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 57   and name HG1%)
      2.600     2.600     3.400 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.53968E-02 ppm1      2.773 ppm2      0.622 CV     1
 OR { 1698}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 57   and name HG2%)
 OR { 1698}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI { 1700}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 40   and name HD1%)
      3.500     1.600     1.600 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.43207E-02 ppm1      2.760 ppm2      0.765 CV     1
 OR { 1700}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 1703}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.200     0.600     0.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.67921E-02 ppm1      3.312 ppm2      0.665 CV     1
 ASSI { 1707}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      2.200     0.600     0.600 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.18412E-02 ppm1      4.022 ppm2      0.306 CV     1
 ASSI { 1712}
   (( segid "    " and resid 35   and name HA2 ))
   (  segid "    " and resid 83   and name HG2%)
      3.000     1.100     1.100 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.25573E-02 ppm1      3.893 ppm2      0.665 CV     1
 OR { 1712}
   (( segid "    " and resid 35   and name HA1 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1715}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HD1 ))
      2.500     2.500     3.500 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      3.758 ppm2      0.763 CV     1
 ASSI { 1722}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      2.800     1.000     1.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.32830E-02 ppm1      4.098 ppm2      1.051 CV     1
 ASSI { 1724}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 88   and name HG  ))
      1.600     0.300     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.40717E-02 ppm1      3.580 ppm2      1.051 CV     1
 ASSI { 1725}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.300     1.400     1.400 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.89023E-02 ppm1      3.401 ppm2      0.905 CV     1
 ASSI { 1730}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      4.700     2.700     1.300 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.29310E-03 ppm1      2.863 ppm2      0.795 CV     1
 ASSI { 1735}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      1.900     0.500     0.500 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.13931E-02 ppm1      4.320 ppm2      1.052 CV     1
 ASSI { 1736}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 120  and name HG1%)
      5.800     4.200     0.200 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.22946E-03 ppm1      5.828 ppm2      0.584 CV     1
 ASSI { 1742}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HD1 ))
      3.000     1.200     1.200 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.28529E-02 ppm1      6.583 ppm2      1.726 CV     1
 ASSI { 1744}
   (( segid "    " and resid 119  and name HZ3 ))
   (  segid "    " and resid 30   and name HB% )
      2.600     2.600     3.400 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.68158E-02 ppm1      6.662 ppm2      1.549 CV     1
 ASSI { 1746}
   (  segid "    " and resid 121  and name HE% )
   (( segid "    " and resid 110  and name HG1 ))
      2.600     0.800     0.800 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.26963E-02 ppm1      6.986 ppm2      1.483 CV     1
 OR { 1746}
   (  segid "    " and resid 121  and name HE% )
   (( segid "    " and resid 110  and name HG2 ))
 ASSI { 1747}
   (  segid "    " and resid 121  and name HE% )
   (  segid "    " and resid 30   and name HB% )
      2.000     2.000     4.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.64218E-02 ppm1      6.990 ppm2      1.550 CV     1
 ASSI { 1748}
   (  segid "    " and resid 121  and name HD% )
   (  segid "    " and resid 30   and name HB% )
      2.100     2.100     3.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.51050E-02 ppm1      7.247 ppm2      1.549 CV     1
 ASSI { 1749}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HB2 ))
      2.200     0.600     0.600 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.15993E-02 ppm1      6.584 ppm2      1.845 CV     1
 ASSI { 1751}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HB2 ))
      1.800     0.400     0.400 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.20328E-02 ppm1      6.816 ppm2      1.846 CV     1
 ASSI { 1753}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HG2 ))
      3.700     1.700     1.700 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.34055E-03 ppm1      6.813 ppm2      2.048 CV     1
 OR { 1753}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HG1 ))
 ASSI { 1754}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HG2 ))
      3.200     1.300     1.300 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.29628E-03 ppm1      6.581 ppm2      2.052 CV     1
 OR { 1754}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HG1 ))
 ASSI { 1758}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 112  and name HB% )
      4.800     2.900     1.200 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.37624E-03 ppm1      4.440 ppm2      1.463 CV     1
 ASSI { 1760}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HB% )
      2.900     1.000     1.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.34404E-02 ppm1      4.357 ppm2      1.474 CV     1
 ASSI { 1761}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
      3.500     1.600     1.600 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.18759E-02 ppm1      4.351 ppm2      1.262 CV     1
 ASSI { 1763}
   (( segid "    " and resid 101  and name HB  ))
   (  segid "    " and resid 101  and name HG2%)
      2.500     0.800     0.800 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.68783E-02 ppm1      4.131 ppm2      1.215 CV     1
 ASSI { 1765}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      4.300     2.300     1.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.55669E-03 ppm1      4.184 ppm2      1.430 CV     1
 ASSI { 1767}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD1 ))
      4.700     2.700     1.300 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.93816E-03 ppm1      4.172 ppm2      1.548 CV     1
 OR { 1767}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 1776}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.900     1.100     1.100 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.28968E-02 ppm1      4.167 ppm2      1.847 CV     1
 ASSI { 1777}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.500     0.800     0.800 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.23133E-02 ppm1      4.166 ppm2      1.898 CV     1
 ASSI { 1780}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.300     1.300     1.300 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.16464E-02 ppm1      4.213 ppm2      2.058 CV     1
 ASSI { 1787}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.900     1.900     1.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.19646E-02 ppm1      4.063 ppm2      2.369 CV     1
 OR { 1787}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1790}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      4.800     2.900     1.200 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.15369E-02 ppm1      4.095 ppm2      2.235 CV     1
 OR { 1790}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1791}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.62813E-02 ppm1      3.751 ppm2      1.816 CV     1
 ASSI { 1794}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      2.200     0.600     0.600 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.19012E-02 ppm1      3.399 ppm2      2.034 CV     1
 ASSI { 1795}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.700     0.700 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.18641E-02 ppm1      3.404 ppm2      1.839 CV     1
 ASSI { 1798}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.500     1.500 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.70446E-03 ppm1      3.404 ppm2      1.664 CV     1
 ASSI { 1799}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 33   and name HB2 ))
      5.000     3.100     1.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.31520E-03 ppm1      3.582 ppm2      1.633 CV     1
 ASSI { 1802}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      2.700     0.900     0.900 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.25878E-02 ppm1      3.311 ppm2      1.531 CV     1
 ASSI { 1805}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      3.400     1.500     1.500 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.13308E-02 ppm1      3.400 ppm2      1.181 CV     1
 OR { 1805}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 1807}
   (( segid "    " and resid 124  and name HD2 ))
   (  segid "    " and resid 103  and name HG2%)
      3.000     3.000     3.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.11193E-02 ppm1      2.982 ppm2      1.172 CV     1
 OR { 1807}
   (( segid "    " and resid 124  and name HD1 ))
   (  segid "    " and resid 103  and name HG2%)
 ASSI { 1822}
   (( segid "    " and resid 124  and name HD1 ))
   (( segid "    " and resid 124  and name HG2 ))
      2.100     0.500     0.500 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.89227E-02 ppm1      2.982 ppm2      1.389 CV     1
 OR { 1822}
   (( segid "    " and resid 124  and name HD2 ))
   (( segid "    " and resid 124  and name HG1 ))
 OR { 1822}
   (( segid "    " and resid 124  and name HD2 ))
   (( segid "    " and resid 124  and name HG2 ))
 OR { 1822}
   (( segid "    " and resid 124  and name HD1 ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI { 1836}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
      5.400     3.600     0.600 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.32317E-03 ppm1      2.775 ppm2      0.907 CV     1
 OR { 1836}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1838}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 90   and name HG2%)
      3.200     3.200     2.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.66459E-03 ppm1      2.234 ppm2      1.229 CV     1
 OR { 1838}
   (( segid "    " and resid 109  and name HB1 ))
   (  segid "    " and resid 90   and name HG2%)
 ASSI { 1841}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 107  and name HB  ))
      4.000     2.000     2.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.84821E-03 ppm1      2.225 ppm2      1.053 CV     1
 OR { 1841}
   (( segid "    " and resid 109  and name HB1 ))
   (( segid "    " and resid 107  and name HB  ))
 ASSI { 1843}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HD1%)
      2.700     0.900     0.900 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.12432E-01 ppm1      2.032 ppm2      0.931 CV     1
 ASSI { 1844}
   (( segid "    " and resid 125  and name HB  ))
   (  segid "    " and resid 125  and name HG1%)
      2.200     0.600     0.600 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.16462E-01 ppm1      2.030 ppm2      0.895 CV     1
 ASSI { 1846}
   (( segid "    " and resid 122  and name HB  ))
   (  segid "    " and resid 122  and name HG1%)
      2.100     0.600     0.600 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.10823E-01 ppm1      2.071 ppm2      0.838 CV     1
 ASSI { 1847}
   (( segid "    " and resid 125  and name HB  ))
   (  segid "    " and resid 125  and name HG2%)
      2.400     0.700     0.700 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.85798E-02 ppm1      2.033 ppm2      0.794 CV     1
 ASSI { 1857}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      2.200     2.200     3.800 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.21298E-01 ppm1      1.834 ppm2      0.905 CV     1
 ASSI { 1862}
   (( segid "    " and resid 113  and name HB2 ))
   (  segid "    " and resid 113  and name HD2%)
      2.900     1.000     1.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.82668E-02 ppm1      1.732 ppm2      0.952 CV     1
 OR { 1862}
   (( segid "    " and resid 113  and name HB1 ))
   (  segid "    " and resid 113  and name HD1%)
 OR { 1862}
   (( segid "    " and resid 113  and name HB1 ))
   (  segid "    " and resid 113  and name HD2%)
 OR { 1862}
   (( segid "    " and resid 113  and name HB2 ))
   (  segid "    " and resid 113  and name HD1%)
 ASSI { 1864}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      2.300     2.300     3.700 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.15448E-01 ppm1      1.657 ppm2      0.906 CV     1
 ASSI { 1868}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      1.900     0.400     0.400 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.12758E-01 ppm1      1.526 ppm2      0.666 CV     1
 ASSI { 1870}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 31   and name HG11))
      4.300     2.300     1.700 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.14967E-02 ppm1      1.549 ppm2      0.530 CV     1
 ASSI { 1874}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      2.600     0.900     0.900 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.28179E-02 ppm1      1.298 ppm2      0.768 CV     1
 ASSI { 1878}
   (( segid "    " and resid 49   and name HG11))
   (  segid "    " and resid 49   and name HD1%)
      2.500     0.800     0.800 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.66218E-02 ppm1      1.444 ppm2      0.932 CV     1
 ASSI { 1883}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HD2 ))
      2.500     0.800     0.800 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.83226E-02 ppm1      1.743 ppm2      1.252 CV     1
 OR { 1883}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR { 1883}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR { 1883}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1884}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG11))
      2.500     0.800     0.800 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.43410E-02 ppm1      1.830 ppm2      1.183 CV     1
 OR { 1884}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1885}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG2 ))
      2.200     0.600     0.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.35176E-02 ppm1      1.861 ppm2      1.213 CV     1
 ASSI { 1887}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
      4.700     2.800     1.300 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.14465E-02 ppm1      2.280 ppm2      1.816 CV     1
 OR { 1887}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 1888}
   (( segid "    " and resid 39   and name HG11))
   (  segid "    " and resid 39   and name HG2%)
      2.300     0.700     0.700 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.33835E-02 ppm1      0.762 ppm2      0.307 CV     1
 ASSI { 1890}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 39   and name HG2%)
      1.900     1.900     4.100 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.79341E-02 ppm1      0.655 ppm2      0.307 CV     1
 ASSI { 1891}
   (  segid "    " and resid 120  and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      3.800     1.800     1.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.85675E-03 ppm1      0.640 ppm2      0.229 CV     1
 ASSI { 1894}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HD1%)
      2.100     0.500     0.500 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.16037E-01 ppm1      1.181 ppm2      0.907 CV     1
 OR { 1894}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1896}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HD1 ))
      2.400     0.700     0.700 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.22066E-02 ppm1      2.048 ppm2      1.716 CV     1
 OR { 1896}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HD1 ))
 ASSI { 1897}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 113  and name HB1 ))
      4.000     2.000     2.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.38883E-02 ppm1      2.048 ppm2      1.736 CV     1
 OR { 1897}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 113  and name HB2 ))
 OR { 1897}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 113  and name HB1 ))
 OR { 1897}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI { 1901}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.12315E-01 ppm1      2.379 ppm2      2.068 CV     1
 ASSI { 1903}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.400     0.200     0.800 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.13098E-01 ppm1      2.972 ppm2      2.237 CV     1
 ASSI { 1914}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.700     1.700     1.700 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.10159E-01 ppm1      3.463 ppm2      3.078 CV     1
 ASSI { 1915}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HB2 ))
      1.200     0.200     1.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.20323E-01 ppm1      3.170 ppm2      2.999 CV     1
 ASSI { 1917}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     3.200     2.800 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.63236E-03 ppm1      4.549 ppm2      2.667 CV     1
 ASSI { 1922}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      1.600     0.300     0.600 peak  1922 spectrum    1 weight  0.11000E+01 volume  0.22755E-02 ppm1      5.483 ppm2      5.179 CV     1
 ASSI { 1924}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name H2  ))
      2.300     0.700     0.700 peak  1924 spectrum    1 weight  0.11000E+01 volume  0.88154E-02 ppm1      7.324 ppm2      6.522 CV     1
 ASSI { 1925}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 95   and name HG2%)
      6.000     6.000     0.000 peak  1925 spectrum    1 weight  0.11000E+01 volume  0.22810E-03 ppm1      7.308 ppm2      1.057 CV     1
 ASSI { 1229}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.500     1.500     1.500 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.10892E-02 ppm1      9.035 ppm2      4.710 CV     1
 ASSI { 1230}
   (  segid "    " and resid 94   and name HD% )
   (( segid "    " and resid 94   and name HB2 ))
      2.900     1.000     1.000 peak  1230 spectrum    1 weight  0.11000E+01 volume  0.21152E-02 ppm1      6.981 ppm2      2.837 CV     1
 ASSI { 1231}
   (  segid "    " and resid 94   and name HD% )
   (( segid "    " and resid 94   and name HB1 ))
      2.900     1.100     1.100 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.18575E-02 ppm1      6.981 ppm2      2.862 CV     1
 ASSI { 1232}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.300     1.400     1.400 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.63294E-03 ppm1      9.084 ppm2      2.862 CV     1
 ASSI {    3}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      1.700     0.300     0.500 peak     3 spectrum    1 weight  0.11000E+01 volume  0.44941E-02 ppm1      5.517 ppm2      5.228 CV     1
 ASSI {    6}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 124  and name HA  ))
      1.600     0.300     0.600 peak     6 spectrum    1 weight  0.11000E+01 volume  0.53228E-02 ppm1      5.272 ppm2      4.486 CV     1
 ASSI {    8}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      2.000     0.500     0.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.18678E-02 ppm1      5.460 ppm2      4.026 CV     1
 ASSI {    9}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.200     1.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.35614E-02 ppm1      5.705 ppm2      3.741 CV     1
 ASSI {   12}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.900     1.900     1.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.89191E-02 ppm1      5.074 ppm2      3.997 CV     1
 ASSI {   13}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HA1 ))
      4.400     2.500     1.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.44646E-02 ppm1      5.075 ppm2      4.056 CV     1
 OR {   13}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 51   and name HA2 ))
 ASSI {   20}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.25530E-02 ppm1      5.703 ppm2      2.748 CV     1
 OR {   20}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {   23}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
      2.300     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      5.842 ppm2      2.244 CV     1
 OR {   23}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI {   25}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.30787E-02 ppm1      5.797 ppm2      1.945 CV     1
 ASSI {   26}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HB1 ))
      2.800     0.900     0.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.37389E-02 ppm1      5.705 ppm2      1.963 CV     1
 ASSI {   27}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      2.900     1.100     1.100 peak    27 spectrum    1 weight  0.10000E+01 volume  0.28185E-02 ppm1      5.704 ppm2      1.821 CV     1
 ASSI {   29}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.000     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.47733E-02 ppm1      5.070 ppm2      2.873 CV     1
 ASSI {   32}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.200     0.600     0.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.33477E-02 ppm1      5.289 ppm2      2.785 CV     1
 OR {   32}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {   33}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.100     0.600     0.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.70888E-02 ppm1      5.359 ppm2      1.982 CV     1
 OR {   33}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI {   36}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG2 ))
      3.700     1.700     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      5.356 ppm2      2.289 CV     1
 OR {   36}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG1 ))
 ASSI {   38}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HB% )
      1.900     0.400     0.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.74336E-02 ppm1      5.227 ppm2      1.554 CV     1
 ASSI {   47}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.900     3.000     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.18839E-02 ppm1      4.891 ppm2      2.135 CV     1
 OR {   47}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI {   50}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.26110E-02 ppm1      4.459 ppm2      2.354 CV     1
 OR {   50}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {   58}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.900     1.000     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.36542E-02 ppm1      4.953 ppm2      3.289 CV     1
 ASSI {   59}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.600     0.800     0.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.28471E-02 ppm1      5.007 ppm2      3.316 CV     1
 ASSI {   60}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.29209E-02 ppm1      4.715 ppm2      2.863 CV     1
 ASSI {   61}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.67290E-02 ppm1      4.776 ppm2      2.727 CV     1
 OR {   61}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI {   62}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      2.300     0.700     0.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.18875E-01 ppm1      4.679 ppm2      2.703 CV     1
 OR {   62}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI {   64}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.600     1.600     1.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.32712E-02 ppm1      4.241 ppm2      2.383 CV     1
 ASSI {   65}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.700     1.700     1.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.26260E-02 ppm1      4.240 ppm2      2.429 CV     1
 ASSI {   66}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.600     1.600     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.43276E-02 ppm1      4.208 ppm2      2.289 CV     1
 OR {   66}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {   67}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.600     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.61467E-02 ppm1      4.240 ppm2      2.244 CV     1
 ASSI {   71}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.100     0.600     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.50341E-02 ppm1      4.461 ppm2      1.969 CV     1
 ASSI {   74}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HD2 ))
      2.200     0.600     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.75698E-02 ppm1      4.889 ppm2      3.986 CV     1
 ASSI {   79}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      1.800     0.400     0.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.43664E-02 ppm1      4.552 ppm2      3.701 CV     1
 ASSI {   80}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      2.000     0.500     0.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.38861E-02 ppm1      4.551 ppm2      3.571 CV     1
 ASSI {   82}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HA2 ))
      1.800     0.400     0.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.66248E-02 ppm1      4.436 ppm2      3.596 CV     1
 ASSI {   85}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 59   and name HA2 ))
      1.700     0.300     0.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.87442E-02 ppm1      4.329 ppm2      3.654 CV     1
 ASSI {   92}
   (( segid "    " and resid 86   and name HA1 ))
   (( segid "    " and resid 86   and name HA2 ))
      1.700     0.300     0.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.88917E-02 ppm1      4.227 ppm2      3.966 CV     1
 ASSI {   99}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 117  and name HA  ))
      3.800     1.800     1.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.16704E-02 ppm1      4.655 ppm2      4.562 CV     1
 ASSI {  108}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HG2%)
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.48353E-02 ppm1      5.275 ppm2      1.056 CV     1
 ASSI {  115}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG11))
      2.000     0.500     0.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.36949E-02 ppm1      4.565 ppm2      0.534 CV     1
 OR {  115}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG12))
 ASSI {  118}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.19788E-02 ppm1      4.922 ppm2      1.244 CV     1
 ASSI {  123}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HD1%)
      3.400     1.400     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.17344E-01 ppm1      4.347 ppm2      0.934 CV     1
 ASSI {  124}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.500     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.81399E-02 ppm1      4.404 ppm2      0.991 CV     1
 ASSI {  127}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 103  and name HG2%)
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.93082E-02 ppm1      4.440 ppm2      1.168 CV     1
 ASSI {  129}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      4.300     2.300     1.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.26183E-02 ppm1      4.063 ppm2      0.400 CV     1
 ASSI {  133}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HG2%)
      3.200     1.200     1.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.53156E-02 ppm1      4.023 ppm2      0.796 CV     1
 ASSI {  134}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HG1%)
      2.900     1.000     1.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.60733E-02 ppm1      4.023 ppm2      0.894 CV     1
 ASSI {  136}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HD1%)
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.13613E-01 ppm1      4.118 ppm2      0.919 CV     1
 OR {  136}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HD2%)
 ASSI {  139}
   (( segid "    " and resid 102  and name HD1 ))
   (  segid "    " and resid 101  and name HG2%)
      5.100     3.200     0.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17105E-02 ppm1      3.953 ppm2      1.213 CV     1
 ASSI {  142}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
      3.800     1.800     1.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.63018E-02 ppm1      4.187 ppm2      1.249 CV     1
 OR {  142}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI {  155}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG1 ))
      3.200     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.28315E-02 ppm1      3.975 ppm2      2.334 CV     1
 ASSI {  159}
   (( segid "    " and resid 59   and name HA2 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.40039E-02 ppm1      3.660 ppm2      1.705 CV     1
 ASSI {  163}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 103  and name HG2%)
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.76696E-02 ppm1      3.732 ppm2      1.169 CV     1
 ASSI {  166}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      2.900     1.000     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.45331E-02 ppm1      3.445 ppm2      1.079 CV     1
 OR {  166}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI {  176}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB1 ))
      2.400     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.81585E-02 ppm1      4.118 ppm2      1.735 CV     1
 OR {  176}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI {  178}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.57444E-02 ppm1      4.186 ppm2      1.732 CV     1
 OR {  178}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  181}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD1 ))
      4.700     2.800     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      4.284 ppm2      3.114 CV     1
 OR {  181}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI {  186}
   (( segid "    " and resid 29   and name HA1 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     5.800     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.51936E-03 ppm1      3.951 ppm2      3.161 CV     1
 OR {  186}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI {  187}
   (( segid "    " and resid 29   and name HA1 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     5.000     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.44279E-03 ppm1      3.980 ppm2      3.185 CV     1
 OR {  187}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 121  and name HB1 ))
 OR {  187}
   (( segid "    " and resid 29   and name HA1 ))
   (( segid "    " and resid 121  and name HB2 ))
 OR {  187}
   (( segid "    " and resid 29   and name HA2 ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI {  194}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.89165E-02 ppm1      3.101 ppm2      1.726 CV     1
 OR {  194}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  194}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB2 ))
 OR {  194}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  205}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 83   and name HG1%)
      4.200     2.200     1.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.63988E-02 ppm1      1.431 ppm2     -0.499 CV     1
 ASSI {  209}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      1.900     0.500     0.500 peak   209 spectrum    1 weight  0.10000E+01 volume  0.44233E-02 ppm1      1.252 ppm2      0.234 CV     1
 ASSI {  210}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 39   and name HG2%)
      3.700     3.700     2.300 peak   210 spectrum    1 weight  0.10000E+01 volume  0.57049E-02 ppm1      1.255 ppm2      0.312 CV     1
 ASSI {  213}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 39   and name HG2%)
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.22008E-02 ppm1      1.854 ppm2      0.312 CV     1
 ASSI {  214}
   (( segid "    " and resid 57   and name HB  ))
   (  segid "    " and resid 57   and name HG1%)
      2.200     0.600     0.600 peak   214 spectrum    1 weight  0.10000E+01 volume  0.16367E-01 ppm1      2.026 ppm2      0.618 CV     1
 OR {  214}
   (( segid "    " and resid 57   and name HB  ))
   (  segid "    " and resid 57   and name HG2%)
 ASSI {  215}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HG1%)
      2.500     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.10696E-01 ppm1      1.829 ppm2      0.682 CV     1
 OR {  215}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HG2%)
 ASSI {  218}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG  ))
      1.500     0.300     0.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.10214E-01 ppm1      1.895 ppm2      1.051 CV     1
 OR {  218}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {  224}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      2.200     0.600     0.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.20225E-01 ppm1      1.669 ppm2      1.188 CV     1
 OR {  224}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
 ASSI {  226}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG1 ))
      2.000     0.500     0.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.20964E-01 ppm1      1.489 ppm2      1.063 CV     1
 OR {  226}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HG2 ))
 OR {  226}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HG1 ))
 OR {  226}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI {  230}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB1 ))
      2.200     0.600     0.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.19464E-01 ppm1      2.162 ppm2      1.895 CV     1
 ASSI {  234}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      1.600     0.300     0.600 peak   234 spectrum    1 weight  0.11000E+01 volume  0.24873E-02 ppm1      4.552 ppm2      5.068 CV     1
 ASSI {  235}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.27507E-02 ppm1      4.566 ppm2      5.279 CV     1
 ASSI {  237}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      1.800     0.400     0.400 peak   237 spectrum    1 weight  0.11000E+01 volume  0.31473E-02 ppm1      4.920 ppm2      5.360 CV     1
 ASSI {  241}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HA  ))
      2.800     1.000     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.19710E-02 ppm1      4.132 ppm2      4.924 CV     1
 ASSI {  246}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 79   and name HD% )
      1.700     0.400     0.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.15649E-01 ppm1      7.365 ppm2      6.907 CV     1
 OR {  246}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 79   and name HZ  ))
 ASSI {  248}
   (  segid "    " and resid 121  and name HD% )
   (  segid "    " and resid 121  and name HE% )
      1.700     0.300     0.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.19239E-01 ppm1      7.249 ppm2      6.996 CV     1
 ASSI {  249}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HE22))
      1.600     0.300     0.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.20339E-01 ppm1      7.160 ppm2      6.791 CV     1
 ASSI {  257}
   (  segid "    " and resid 79   and name HD% )
   (  segid "    " and resid 76   and name HD% )
      2.400     2.400     3.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.38953E-02 ppm1      6.948 ppm2      6.326 CV     1
 ASSI {  258}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HD1 ))
      3.400     1.400     1.400 peak   258 spectrum    1 weight  0.10000E+01 volume  0.33267E-02 ppm1      7.344 ppm2      5.957 CV     1
 OR {  258}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HD2 ))
 OR {  258}
   (( segid "    " and resid 69   and name H3  ))
   (( segid "    " and resid 69   and name HE1 ))
 ASSI {    2}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 32   and name HE21))
      4.100     2.100     1.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.45519E-03 ppm1     10.370 ppm2      7.105 CV     1
 ASSI {    3}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HD1 ))
      1.700     1.700     4.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.65033E-02 ppm1     10.370 ppm2      6.850 CV     1
 ASSI {    4}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HZ3 ))
      4.800     2.900     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.40212E-03 ppm1     10.369 ppm2      6.658 CV     1
 ASSI {   11}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.200     1.200 peak    11 spectrum    1 weight  0.11000E+01 volume  0.14847E-02 ppm1      9.657 ppm2      5.016 CV     1
 ASSI {   13}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.600     0.800     0.800 peak    13 spectrum    1 weight  0.11000E+01 volume  0.76219E-02 ppm1      9.658 ppm2      2.752 CV     1
 ASSI {   14}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.500     1.600     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.32644E-02 ppm1      9.658 ppm2      1.866 CV     1
 ASSI {   19}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.27750E-02 ppm1      9.580 ppm2      1.624 CV     1
 ASSI {   20}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.500     0.800     0.800 peak    20 spectrum    1 weight  0.11000E+01 volume  0.21998E-02 ppm1      9.580 ppm2      1.419 CV     1
 OR {   20}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG  ))
      3.600     1.600     1.600 peak    21 spectrum    1 weight  0.11000E+01 volume  0.22607E-02 ppm1      9.580 ppm2      1.308 CV     1
 ASSI {   22}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      1.800     0.400     0.400 peak    22 spectrum    1 weight  0.11000E+01 volume  0.19020E-02 ppm1      9.553 ppm2      9.407 CV     1
 ASSI {   30}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.500     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      9.455 ppm2      1.761 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.11000E+01 volume  0.14753E-02 ppm1      9.458 ppm2      1.500 CV     1
 OR {   31}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {   40}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      4.300     2.400     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.39196E-02 ppm1      9.439 ppm2      0.644 CV     1
 ASSI {   42}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.900     1.900     1.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.45425E-03 ppm1      9.441 ppm2      3.473 CV     1
 ASSI {   43}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      2.000     0.500     0.500 peak    43 spectrum    1 weight  0.11000E+01 volume  0.43529E-02 ppm1      9.438 ppm2      3.186 CV     1
 OR {   43}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI {   45}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HD2 ))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35332E-02 ppm1      9.405 ppm2      7.089 CV     1
 OR {   45}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HD1 ))
 ASSI {   47}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.11000E+01 volume  0.15316E-02 ppm1      9.408 ppm2      2.243 CV     1
 OR {   47}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI {   49}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.200     0.600     0.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.15891E-02 ppm1      9.396 ppm2      5.141 CV     1
 ASSI {   51}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HD1 ))
      1.700     0.300     0.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.29289E-02 ppm1      9.395 ppm2      6.840 CV     1
 ASSI {   60}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.11000E+01 volume  0.25260E-02 ppm1      9.386 ppm2      0.602 CV     1
 OR {   60}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 120  and name HG1%)
 ASSI {   61}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HE3 ))
      2.900     1.000     1.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.11392E-02 ppm1      9.383 ppm2      6.926 CV     1
 ASSI {   64}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      5.400     3.700     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14715E-03 ppm1      9.383 ppm2      1.419 CV     1
 ASSI {   71}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      3.900     1.900     1.900 peak    71 spectrum    1 weight  0.11000E+01 volume  0.17200E-02 ppm1      9.262 ppm2      9.122 CV     1
 ASSI {   74}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      3.600     1.600     1.600 peak    74 spectrum    1 weight  0.11000E+01 volume  0.12140E-02 ppm1      9.262 ppm2      2.086 CV     1
 ASSI {   77}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      2.100     0.600     0.600 peak    77 spectrum    1 weight  0.11000E+01 volume  0.35501E-02 ppm1      9.262 ppm2      0.824 CV     1
 ASSI {   79}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.300     1.400     1.400 peak    79 spectrum    1 weight  0.11000E+01 volume  0.13593E-02 ppm1      9.238 ppm2      4.465 CV     1
 ASSI {   83}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.400     1.500     1.500 peak    83 spectrum    1 weight  0.11000E+01 volume  0.18272E-02 ppm1      9.243 ppm2      1.997 CV     1
 OR {   83}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {   90}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      1.700     0.400     0.500 peak    90 spectrum    1 weight  0.11000E+01 volume  0.62303E-02 ppm1      9.222 ppm2      5.007 CV     1
 ASSI {   92}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      4.100     2.100     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.35914E-03 ppm1      9.221 ppm2      3.179 CV     1
 OR {   92}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI {   94}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      1.800     0.400     0.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.93047E-02 ppm1      9.214 ppm2      5.270 CV     1
 ASSI {   98}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      3.600     1.700     1.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.35497E-02 ppm1      9.214 ppm2      1.068 CV     1
 ASSI {   99}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HD% )
      2.900     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.24512E-02 ppm1      9.213 ppm2      7.312 CV     1
 ASSI {  103}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 108  and name HD2 ))
      3.200     1.300     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.21163E-02 ppm1      9.143 ppm2      7.089 CV     1
 OR {  103}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 108  and name HD1 ))
 ASSI {  105}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.400     0.700     0.700 peak   105 spectrum    1 weight  0.11000E+01 volume  0.29490E-02 ppm1      9.143 ppm2      4.907 CV     1
 ASSI {  106}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      5.300     3.500     0.700 peak   106 spectrum    1 weight  0.11000E+01 volume  0.34961E-03 ppm1      9.142 ppm2      3.167 CV     1
 ASSI {  108}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      3.300     1.300     1.300 peak   108 spectrum    1 weight  0.11000E+01 volume  0.30568E-02 ppm1      9.142 ppm2      1.241 CV     1
 ASSI {  109}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      6.000     5.100     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12552E-04 ppm1      9.143 ppm2      1.063 CV     1
 ASSI {  115}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      3.900     1.900     1.900 peak   115 spectrum    1 weight  0.11000E+01 volume  0.62736E-03 ppm1      9.124 ppm2      4.519 CV     1
 ASSI {  116}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      1.800     0.400     0.400 peak   116 spectrum    1 weight  0.11000E+01 volume  0.38937E-02 ppm1      9.125 ppm2      2.088 CV     1
 ASSI {  121}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      2.900     1.000     1.000 peak   121 spectrum    1 weight  0.11000E+01 volume  0.22373E-02 ppm1      9.089 ppm2      9.258 CV     1
 ASSI {  125}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.800     1.000     1.000 peak   125 spectrum    1 weight  0.11000E+01 volume  0.23664E-02 ppm1      9.090 ppm2      2.867 CV     1
 OR {  125}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
 ASSI {  126}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.400     1.400     1.400 peak   126 spectrum    1 weight  0.11000E+01 volume  0.27653E-02 ppm1      9.089 ppm2      1.992 CV     1
 ASSI {  129}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 122  and name HG1%)
      3.300     1.400     1.400 peak   129 spectrum    1 weight  0.11000E+01 volume  0.26544E-02 ppm1      9.065 ppm2      0.844 CV     1
 ASSI {  134}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.11000E+01 volume  0.40681E-02 ppm1      9.037 ppm2      5.012 CV     1
 ASSI {  136}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      3.800     1.800     1.800 peak   136 spectrum    1 weight  0.11000E+01 volume  0.35592E-03 ppm1      9.036 ppm2      1.085 CV     1
 ASSI {  143}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     6.000     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.85079E-04 ppm1      9.027 ppm2      1.866 CV     1
 ASSI {  147}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      3.600     1.600     1.600 peak   147 spectrum    1 weight  0.11000E+01 volume  0.15305E-02 ppm1      8.975 ppm2      8.548 CV     1
 ASSI {  148}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   148 spectrum    1 weight  0.11000E+01 volume  0.16546E-02 ppm1      8.975 ppm2      8.338 CV     1
 ASSI {  152}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      3.700     1.700     1.700 peak   152 spectrum    1 weight  0.11000E+01 volume  0.10327E-02 ppm1      8.975 ppm2      3.593 CV     1
 ASSI {  153}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.100     1.200     1.200 peak   153 spectrum    1 weight  0.11000E+01 volume  0.50193E-02 ppm1      8.975 ppm2      2.981 CV     1
 ASSI {  154}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      5.300     3.500     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.67601E-03 ppm1      8.975 ppm2      2.669 CV     1
 ASSI {  161}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.11000E+01 volume  0.20522E-02 ppm1      8.918 ppm2      5.223 CV     1
 ASSI {  164}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.800     1.800     1.800 peak   164 spectrum    1 weight  0.11000E+01 volume  0.37665E-02 ppm1      8.917 ppm2      1.184 CV     1
 ASSI {  179}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.400     0.700     0.700 peak   179 spectrum    1 weight  0.11000E+01 volume  0.13071E-02 ppm1      8.834 ppm2      4.864 CV     1
 ASSI {  181}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.100     1.200     1.200 peak   181 spectrum    1 weight  0.11000E+01 volume  0.17768E-02 ppm1      8.835 ppm2      3.724 CV     1
 ASSI {  187}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.100     1.200     1.200 peak   187 spectrum    1 weight  0.11000E+01 volume  0.13038E-02 ppm1      8.814 ppm2      1.739 CV     1
 OR {  187}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI {  191}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      3.300     1.300     1.300 peak   191 spectrum    1 weight  0.10000E+01 volume  0.92498E-03 ppm1      8.789 ppm2      6.590 CV     1
 ASSI {  194}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     0.900     0.900 peak   194 spectrum    1 weight  0.11000E+01 volume  0.35560E-02 ppm1      8.789 ppm2      2.758 CV     1
 OR {  194}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  198}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      1.600     0.300     0.600 peak   198 spectrum    1 weight  0.11000E+01 volume  0.86807E-02 ppm1      8.758 ppm2      5.019 CV     1
 ASSI {  200}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.400     1.400 peak   200 spectrum    1 weight  0.11000E+01 volume  0.13695E-02 ppm1      8.757 ppm2      2.249 CV     1
 ASSI {  202}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      1.600     0.300     0.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.46306E-02 ppm1      8.757 ppm2      1.860 CV     1
 ASSI {  205}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.100     2.100     1.900 peak   205 spectrum    1 weight  0.11000E+01 volume  0.66798E-03 ppm1      8.683 ppm2      2.878 CV     1
 ASSI {  214}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
      3.800     1.800     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      8.682 ppm2      6.911 CV     1
 ASSI {  219}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.000     1.000 peak   219 spectrum    1 weight  0.11000E+01 volume  0.19576E-02 ppm1      8.662 ppm2      5.362 CV     1
 ASSI {  220}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      1.900     0.400     0.400 peak   220 spectrum    1 weight  0.11000E+01 volume  0.82488E-02 ppm1      8.661 ppm2      4.959 CV     1
 ASSI {  221}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.11000E+01 volume  0.46835E-02 ppm1      8.661 ppm2      1.987 CV     1
 ASSI {  225}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.800     0.900     0.900 peak   225 spectrum    1 weight  0.11000E+01 volume  0.14301E-02 ppm1      8.635 ppm2      4.519 CV     1
 ASSI {  227}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      2.500     0.800     0.800 peak   227 spectrum    1 weight  0.11000E+01 volume  0.62711E-02 ppm1      8.635 ppm2      1.355 CV     1
 OR {  227}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI {  228}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      4.300     2.300     1.700 peak   228 spectrum    1 weight  0.11000E+01 volume  0.16255E-02 ppm1      8.662 ppm2      3.287 CV     1
 ASSI {  229}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.800     1.800     1.800 peak   229 spectrum    1 weight  0.11000E+01 volume  0.23907E-02 ppm1      8.662 ppm2      3.107 CV     1
 ASSI {  232}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     1.100     1.100 peak   232 spectrum    1 weight  0.11000E+01 volume  0.78164E-02 ppm1      8.629 ppm2      2.046 CV     1
 OR {  232}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  233}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HB% )
      3.900     1.900     1.900 peak   233 spectrum    1 weight  0.11000E+01 volume  0.56642E-02 ppm1      8.628 ppm2      1.483 CV     1
 ASSI {  236}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.600     0.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.56923E-02 ppm1      8.621 ppm2      4.294 CV     1
 ASSI {  237}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak   237 spectrum    1 weight  0.11000E+01 volume  0.28758E-02 ppm1      8.621 ppm2      2.802 CV     1
 ASSI {  238}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.000     1.100     1.100 peak   238 spectrum    1 weight  0.11000E+01 volume  0.35985E-02 ppm1      8.621 ppm2      2.707 CV     1
 ASSI {  246}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      5.500     3.800     0.500 peak   246 spectrum    1 weight  0.11000E+01 volume  0.37855E-03 ppm1      8.582 ppm2      8.077 CV     1
 ASSI {  248}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA1 ))
      3.300     1.400     1.400 peak   248 spectrum    1 weight  0.11000E+01 volume  0.26276E-02 ppm1      8.582 ppm2      4.098 CV     1
 ASSI {  249}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA2 ))
      3.000     1.100     1.100 peak   249 spectrum    1 weight  0.11000E+01 volume  0.31850E-02 ppm1      8.582 ppm2      3.872 CV     1
 ASSI {  250}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.500     2.600     1.500 peak   250 spectrum    1 weight  0.11000E+01 volume  0.13743E-02 ppm1      8.581 ppm2      2.045 CV     1
 OR {  250}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  258}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.800     1.000     1.000 peak   258 spectrum    1 weight  0.11000E+01 volume  0.44247E-02 ppm1      8.545 ppm2      3.984 CV     1
 OR {  258}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  260}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   260 spectrum    1 weight  0.11000E+01 volume  0.16156E-02 ppm1      8.545 ppm2      5.226 CV     1
 ASSI {  261}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      2.400     0.700     0.700 peak   261 spectrum    1 weight  0.11000E+01 volume  0.63980E-02 ppm1      8.543 ppm2      1.561 CV     1
 ASSI {  262}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HD22))
      1.600     0.300     0.600 peak   262 spectrum    1 weight  0.11000E+01 volume  0.13792E-01 ppm1      8.546 ppm2      7.324 CV     1
 ASSI {  266}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.11000E+01 volume  0.22792E-02 ppm1      8.485 ppm2      5.779 CV     1
 ASSI {  267}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      1.700     0.400     0.500 peak   267 spectrum    1 weight  0.11000E+01 volume  0.18103E-01 ppm1      8.485 ppm2      4.908 CV     1
 ASSI {  270}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.200     1.300     1.300 peak   270 spectrum    1 weight  0.11000E+01 volume  0.26181E-02 ppm1      8.484 ppm2      1.946 CV     1
 ASSI {  273}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     6.000     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.60874E-05 ppm1      8.484 ppm2      8.634 CV     1
 ASSI {  277}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.40615E-02 ppm1      8.483 ppm2      2.137 CV     1
 OR {  277}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI {  278}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.100     1.200     1.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.78521E-02 ppm1      8.483 ppm2      1.894 CV     1
 ASSI {  279}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD1 ))
      4.300     2.300     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.33427E-02 ppm1      8.483 ppm2      1.545 CV     1
 OR {  279}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI {  280}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.11195E-02 ppm1      8.480 ppm2      4.381 CV     1
 ASSI {  289}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak   289 spectrum    1 weight  0.11000E+01 volume  0.62373E-02 ppm1      8.450 ppm2      4.350 CV     1
 ASSI {  290}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      2.600     0.900     0.900 peak   290 spectrum    1 weight  0.11000E+01 volume  0.79798E-02 ppm1      8.450 ppm2      4.053 CV     1
 OR {  290}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
 ASSI {  298}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      6.000     6.000     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.12081E-04 ppm1      8.402 ppm2      6.967 CV     1
 ASSI {  300}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.500     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.51733E-03 ppm1      8.399 ppm2      5.291 CV     1
 ASSI {  303}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.700     2.700     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.47468E-03 ppm1      8.399 ppm2      2.013 CV     1
 OR {  303}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  305}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      2.300     0.600     0.600 peak   305 spectrum    1 weight  0.11000E+01 volume  0.28805E-02 ppm1      8.399 ppm2      0.730 CV     1
 OR {  305}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  308}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG12))
      1.900     0.500     0.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.27513E-02 ppm1      8.398 ppm2      0.546 CV     1
 OR {  308}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
 ASSI {  310}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   310 spectrum    1 weight  0.11000E+01 volume  0.12267E-01 ppm1      8.392 ppm2      4.364 CV     1
 ASSI {  313}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      1.700     1.700     4.300 peak   313 spectrum    1 weight  0.11000E+01 volume  0.92596E-02 ppm1      8.393 ppm2      4.455 CV     1
 ASSI {  316}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG1 ))
      3.300     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.95973E-03 ppm1      8.392 ppm2      2.057 CV     1
 OR {  316}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
 ASSI {  320}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      1.400     0.200     0.800 peak   320 spectrum    1 weight  0.11000E+01 volume  0.71801E-02 ppm1      8.392 ppm2      5.187 CV     1
 ASSI {  321}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.300     0.700     0.700 peak   321 spectrum    1 weight  0.11000E+01 volume  0.14067E-02 ppm1      8.392 ppm2      4.455 CV     1
 ASSI {  323}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      1.600     0.300     0.600 peak   323 spectrum    1 weight  0.11000E+01 volume  0.74191E-02 ppm1      8.392 ppm2      1.868 CV     1
 OR {  323}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI {  324}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.800     3.800     2.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.29210E-03 ppm1      8.391 ppm2      1.049 CV     1
 ASSI {  332}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.11000E+01 volume  0.15951E-02 ppm1      8.340 ppm2      7.584 CV     1
 ASSI {  333}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      3.900     1.900     1.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.18087E-02 ppm1      8.341 ppm2      6.938 CV     1
 ASSI {  336}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.500     0.800     0.800 peak   336 spectrum    1 weight  0.11000E+01 volume  0.48627E-02 ppm1      8.340 ppm2      3.017 CV     1
 OR {  336}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  337}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.000     0.500     0.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.10222E-01 ppm1      8.341 ppm2      1.498 CV     1
 OR {  337}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  338}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.800     1.800     1.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.36041E-02 ppm1      8.342 ppm2      1.078 CV     1
 OR {  338}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  339}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     1.700     4.300 peak   339 spectrum    1 weight  0.10000E+01 volume  0.94205E-02 ppm1      8.339 ppm2      1.633 CV     1
 ASSI {  340}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      3.800     1.800     1.800 peak   340 spectrum    1 weight  0.11000E+01 volume  0.20571E-02 ppm1      8.321 ppm2      4.502 CV     1
 ASSI {  342}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      2.800     1.000     1.000 peak   342 spectrum    1 weight  0.11000E+01 volume  0.30316E-02 ppm1      8.323 ppm2      3.763 CV     1
 ASSI {  346}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      1.800     0.400     0.400 peak   346 spectrum    1 weight  0.11000E+01 volume  0.12605E-01 ppm1      8.308 ppm2      4.735 CV     1
 ASSI {  347}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.300     1.400     1.400 peak   347 spectrum    1 weight  0.10000E+01 volume  0.34113E-02 ppm1      8.307 ppm2      2.039 CV     1
 ASSI {  350}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD1%)
      4.600     2.600     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.28454E-02 ppm1      8.308 ppm2      0.939 CV     1
 ASSI {  353}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA1 ))
      2.900     1.000     1.000 peak   353 spectrum    1 weight  0.11000E+01 volume  0.27311E-02 ppm1      8.299 ppm2      4.146 CV     1
 ASSI {  354}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA2 ))
      3.600     1.600     1.600 peak   354 spectrum    1 weight  0.11000E+01 volume  0.21325E-02 ppm1      8.300 ppm2      3.755 CV     1
 ASSI {  358}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      2.400     0.700     0.700 peak   358 spectrum    1 weight  0.11000E+01 volume  0.24857E-02 ppm1      8.253 ppm2      4.077 CV     1
 ASSI {  359}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      2.900     1.000     1.000 peak   359 spectrum    1 weight  0.11000E+01 volume  0.19013E-02 ppm1      8.252 ppm2      3.586 CV     1
 ASSI {  360}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.11000E+01 volume  0.19669E-02 ppm1      8.253 ppm2      3.450 CV     1
 ASSI {  362}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      1.900     0.400     0.400 peak   362 spectrum    1 weight  0.11000E+01 volume  0.86027E-02 ppm1      8.253 ppm2      1.540 CV     1
 ASSI {  365}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.600     1.600     1.600 peak   365 spectrum    1 weight  0.11000E+01 volume  0.84938E-02 ppm1      8.253 ppm2     -0.490 CV     1
 ASSI {  381}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.000     0.500     0.500 peak   381 spectrum    1 weight  0.11000E+01 volume  0.66552E-02 ppm1      8.129 ppm2      7.742 CV     1
 ASSI {  382}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA1 ))
      3.600     1.600     1.600 peak   382 spectrum    1 weight  0.11000E+01 volume  0.21861E-02 ppm1      8.129 ppm2      4.246 CV     1
 ASSI {  383}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA2 ))
      2.900     1.100     1.100 peak   383 spectrum    1 weight  0.11000E+01 volume  0.32739E-02 ppm1      8.131 ppm2      3.965 CV     1
 ASSI {  388}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      5.200     3.300     0.800 peak   388 spectrum    1 weight  0.11000E+01 volume  0.11324E-02 ppm1      8.076 ppm2      8.307 CV     1
 ASSI {  389}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   389 spectrum    1 weight  0.11000E+01 volume  0.10609E-01 ppm1      8.076 ppm2      4.736 CV     1
 ASSI {  390}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA1 ))
      3.400     1.400     1.400 peak   390 spectrum    1 weight  0.11000E+01 volume  0.23881E-02 ppm1      8.076 ppm2      4.096 CV     1
 ASSI {  392}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.600     1.600     1.600 peak   392 spectrum    1 weight  0.11000E+01 volume  0.40699E-02 ppm1      8.076 ppm2      2.875 CV     1
 ASSI {  402}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.900     1.900     1.900 peak   402 spectrum    1 weight  0.11000E+01 volume  0.24315E-02 ppm1      8.072 ppm2      2.422 CV     1
 OR {  402}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
 ASSI {  408}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak   408 spectrum    1 weight  0.11000E+01 volume  0.48936E-02 ppm1      8.033 ppm2      4.366 CV     1
 ASSI {  409}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.300     0.700     0.700 peak   409 spectrum    1 weight  0.11000E+01 volume  0.91552E-02 ppm1      8.033 ppm2      4.053 CV     1
 OR {  409}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  410}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      2.900     1.100     1.100 peak   410 spectrum    1 weight  0.11000E+01 volume  0.73169E-02 ppm1      8.033 ppm2      1.431 CV     1
 ASSI {  411}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.800     1.800     1.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.82470E-03 ppm1      8.007 ppm2      4.093 CV     1
 ASSI {  412}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      5.500     3.800     0.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.40773E-03 ppm1      8.008 ppm2      0.985 CV     1
 ASSI {  413}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.500     2.600     1.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.60402E-03 ppm1      8.006 ppm2      4.515 CV     1
 ASSI {  417}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.600     1.600     1.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.71201E-03 ppm1      8.001 ppm2      1.360 CV     1
 OR {  417}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI {  439}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      2.500     0.800     0.800 peak   439 spectrum    1 weight  0.11000E+01 volume  0.78239E-02 ppm1      7.971 ppm2      4.052 CV     1
 OR {  439}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
 ASSI {  441}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak   441 spectrum    1 weight  0.11000E+01 volume  0.23904E-01 ppm1      7.972 ppm2      1.735 CV     1
 OR {  441}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  442}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      2.400     0.700     0.700 peak   442 spectrum    1 weight  0.11000E+01 volume  0.13328E-01 ppm1      7.972 ppm2      1.454 CV     1
 OR {  442}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {  446}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.100     0.500     0.500 peak   446 spectrum    1 weight  0.11000E+01 volume  0.35378E-02 ppm1      7.945 ppm2      8.340 CV     1
 ASSI {  447}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      1.600     0.300     0.600 peak   447 spectrum    1 weight  0.11000E+01 volume  0.81532E-02 ppm1      7.946 ppm2      7.817 CV     1
 ASSI {  448}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.300     0.700     0.700 peak   448 spectrum    1 weight  0.11000E+01 volume  0.73475E-02 ppm1      7.946 ppm2      3.995 CV     1
 ASSI {  449}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.500     1.500     1.500 peak   449 spectrum    1 weight  0.11000E+01 volume  0.98317E-03 ppm1      7.945 ppm2      3.452 CV     1
 ASSI {  450}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      4.100     2.100     1.900 peak   450 spectrum    1 weight  0.11000E+01 volume  0.26670E-02 ppm1      7.946 ppm2      2.353 CV     1
 ASSI {  451}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
      4.000     2.000     2.000 peak   451 spectrum    1 weight  0.11000E+01 volume  0.23446E-02 ppm1      7.945 ppm2      2.167 CV     1
 ASSI {  452}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.100     0.500     0.500 peak   452 spectrum    1 weight  0.11000E+01 volume  0.12199E-01 ppm1      7.946 ppm2      2.024 CV     1
 OR {  452}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  453}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.300     0.700     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.50456E-02 ppm1      7.945 ppm2      1.497 CV     1
 OR {  453}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  454}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.300     2.400     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.75127E-03 ppm1      7.945 ppm2      1.079 CV     1
 OR {  454}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  456}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.300     0.700     0.700 peak   456 spectrum    1 weight  0.11000E+01 volume  0.11735E-02 ppm1      7.882 ppm2      4.332 CV     1
 ASSI {  457}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      1.900     0.400     0.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.22479E-02 ppm1      7.884 ppm2      1.888 CV     1
 OR {  457}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {  458}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.26469E-02 ppm1      7.882 ppm2      1.049 CV     1
 ASSI {  459}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB  ))
      3.200     1.300     1.300 peak   459 spectrum    1 weight  0.11000E+01 volume  0.44664E-02 ppm1      7.846 ppm2      4.132 CV     1
 ASSI {  467}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      2.900     1.100     1.100 peak   467 spectrum    1 weight  0.10000E+01 volume  0.29896E-02 ppm1      7.821 ppm2      1.059 CV     1
 ASSI {  470}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      3.900     1.900     1.900 peak   470 spectrum    1 weight  0.11000E+01 volume  0.57994E-03 ppm1      7.805 ppm2      3.888 CV     1
 ASSI {  471}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      3.300     1.300     1.300 peak   471 spectrum    1 weight  0.11000E+01 volume  0.15854E-02 ppm1      7.805 ppm2      4.499 CV     1
 ASSI {  472}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      3.400     1.500     1.500 peak   472 spectrum    1 weight  0.11000E+01 volume  0.10993E-02 ppm1      7.805 ppm2      3.798 CV     1
 ASSI {  474}
   (( segid "    " and resid 89   and name HD21))
   (( segid "    " and resid 89   and name HB1 ))
      3.000     1.100     1.100 peak   474 spectrum    1 weight  0.11000E+01 volume  0.18826E-02 ppm1      7.797 ppm2      3.174 CV     1
 ASSI {  475}
   (( segid "    " and resid 89   and name HD21))
   (( segid "    " and resid 89   and name HB2 ))
      3.100     1.200     1.200 peak   475 spectrum    1 weight  0.11000E+01 volume  0.20679E-02 ppm1      7.797 ppm2      3.008 CV     1
 ASSI {  477}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak   477 spectrum    1 weight  0.11000E+01 volume  0.60278E-02 ppm1      7.742 ppm2      8.032 CV     1
 ASSI {  479}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA1 ))
      2.800     1.000     1.000 peak   479 spectrum    1 weight  0.11000E+01 volume  0.58472E-02 ppm1      7.742 ppm2      4.249 CV     1
 ASSI {  480}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA2 ))
      2.100     0.500     0.500 peak   480 spectrum    1 weight  0.11000E+01 volume  0.87275E-02 ppm1      7.742 ppm2      3.964 CV     1
 ASSI {  481}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.600     2.700     1.400 peak   481 spectrum    1 weight  0.11000E+01 volume  0.48701E-03 ppm1      7.743 ppm2      3.318 CV     1
 ASSI {  484}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.800     0.800 peak   484 spectrum    1 weight  0.11000E+01 volume  0.70522E-02 ppm1      7.729 ppm2      4.063 CV     1
 ASSI {  486}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.800     1.900     1.900 peak   486 spectrum    1 weight  0.11000E+01 volume  0.12066E-02 ppm1      7.729 ppm2      3.319 CV     1
 ASSI {  487}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      1.700     0.400     0.500 peak   487 spectrum    1 weight  0.11000E+01 volume  0.98546E-02 ppm1      7.728 ppm2      1.549 CV     1
 ASSI {  489}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.100     0.600     0.600 peak   489 spectrum    1 weight  0.11000E+01 volume  0.36645E-02 ppm1      7.721 ppm2      9.020 CV     1
 ASSI {  490}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak   490 spectrum    1 weight  0.11000E+01 volume  0.70657E-03 ppm1      7.720 ppm2      8.759 CV     1
 ASSI {  491}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.300     0.700     0.700 peak   491 spectrum    1 weight  0.11000E+01 volume  0.45693E-02 ppm1      7.722 ppm2      4.388 CV     1
 ASSI {  493}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   493 spectrum    1 weight  0.11000E+01 volume  0.11752E-02 ppm1      7.722 ppm2      3.409 CV     1
 ASSI {  505}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HG1 ))
      3.100     1.200     1.200 peak   505 spectrum    1 weight  0.11000E+01 volume  0.39604E-02 ppm1      7.669 ppm2      2.420 CV     1
 OR {  505}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HG2 ))
 ASSI {  510}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.25021E-02 ppm1      7.610 ppm2      8.836 CV     1
 ASSI {  511}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   511 spectrum    1 weight  0.11000E+01 volume  0.26569E-02 ppm1      7.610 ppm2      8.410 CV     1
 ASSI {  514}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak   514 spectrum    1 weight  0.11000E+01 volume  0.10642E-02 ppm1      7.609 ppm2      3.484 CV     1
 ASSI {  515}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.500     1.500     1.500 peak   515 spectrum    1 weight  0.11000E+01 volume  0.23085E-02 ppm1      7.609 ppm2      2.880 CV     1
 OR {  515}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  518}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      4.700     2.700     1.300 peak   518 spectrum    1 weight  0.11000E+01 volume  0.75699E-03 ppm1      7.566 ppm2      0.629 CV     1
 ASSI {  521}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   521 spectrum    1 weight  0.10000E+01 volume  0.56217E-02 ppm1      7.622 ppm2      4.065 CV     1
 ASSI {  522}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.300     1.300 peak   522 spectrum    1 weight  0.11000E+01 volume  0.16995E-02 ppm1      7.621 ppm2      4.419 CV     1
 ASSI {  523}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.200     1.300     1.300 peak   523 spectrum    1 weight  0.11000E+01 volume  0.43922E-02 ppm1      7.620 ppm2      0.994 CV     1
 ASSI {  524}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB2 ))
      5.300     3.600     0.700 peak   524 spectrum    1 weight  0.11000E+01 volume  0.45778E-03 ppm1      7.329 ppm2      2.254 CV     1
 ASSI {  526}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB1 ))
      4.000     2.000     2.000 peak   526 spectrum    1 weight  0.11000E+01 volume  0.29259E-02 ppm1      7.325 ppm2      2.974 CV     1
 ASSI {  527}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 36   and name HB2 ))
      4.900     3.100     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.11356E-02 ppm1      7.325 ppm2      2.675 CV     1
 ASSI {  528}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.400     2.400     1.600 peak   528 spectrum    1 weight  0.11000E+01 volume  0.14173E-02 ppm1      6.663 ppm2      2.746 CV     1
 OR {  528}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  529}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      3.500     1.500     1.500 peak   529 spectrum    1 weight  0.11000E+01 volume  0.35332E-02 ppm1      6.663 ppm2      0.683 CV     1
 ASSI {  530}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak   530 spectrum    1 weight  0.11000E+01 volume  0.36472E-02 ppm1      6.661 ppm2      7.814 CV     1
 ASSI {  537}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   537 spectrum    1 weight  0.11000E+01 volume  0.16779E-02 ppm1      7.444 ppm2      8.396 CV     1
 ASSI {  538}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.400     0.700     0.700 peak   538 spectrum    1 weight  0.11000E+01 volume  0.31692E-02 ppm1      7.444 ppm2      4.466 CV     1
 ASSI {  539}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   539 spectrum    1 weight  0.11000E+01 volume  0.82616E-03 ppm1      7.445 ppm2      4.355 CV     1
 ASSI {  541}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      5.400     3.600     0.600 peak   541 spectrum    1 weight  0.11000E+01 volume  0.43855E-03 ppm1      7.444 ppm2      2.377 CV     1
 OR {  541}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  542}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.11000E+01 volume  0.28075E-02 ppm1      7.445 ppm2      2.016 CV     1
 OR {  542}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  543}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     3.100     2.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.92658E-03 ppm1      7.443 ppm2      1.619 CV     1
 ASSI {  550}
   (( segid "    " and resid 61   and name HD22))
   (( segid "    " and resid 61   and name HA  ))
      5.800     4.200     0.200 peak   550 spectrum    1 weight  0.11000E+01 volume  0.83978E-03 ppm1      7.494 ppm2      5.018 CV     1
 ASSI {  552}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak   552 spectrum    1 weight  0.11000E+01 volume  0.14469E-02 ppm1      7.607 ppm2      2.020 CV     1
 OR {  552}
   (( segid "    " and resid 41   and name HE21))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  556}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB2 ))
      2.800     0.900     0.900 peak   556 spectrum    1 weight  0.11000E+01 volume  0.54900E-02 ppm1      7.563 ppm2      2.747 CV     1
 OR {  556}
   (( segid "    " and resid 87   and name HD21))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {  557}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      6.000     6.000     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.24509E-04 ppm1      7.352 ppm2      6.812 CV     1
 ASSI {  558}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      3.700     1.700     1.700 peak   558 spectrum    1 weight  0.11000E+01 volume  0.24824E-02 ppm1      7.350 ppm2      8.298 CV     1
 ASSI {  559}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 118  and name HE% )
      5.800     4.200     0.200 peak   559 spectrum    1 weight  0.10000E+01 volume  0.94373E-04 ppm1      7.351 ppm2      6.590 CV     1
 ASSI {  560}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.100     0.500     0.500 peak   560 spectrum    1 weight  0.11000E+01 volume  0.85367E-02 ppm1      7.350 ppm2      4.688 CV     1
 ASSI {  561}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.200     0.600     0.600 peak   561 spectrum    1 weight  0.11000E+01 volume  0.31552E-02 ppm1      7.349 ppm2      4.554 CV     1
 ASSI {  562}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.200     1.300     1.300 peak   562 spectrum    1 weight  0.11000E+01 volume  0.19572E-02 ppm1      7.350 ppm2      3.723 CV     1
 ASSI {  565}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.200     3.200     2.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.40823E-02 ppm1      7.350 ppm2      1.473 CV     1
 ASSI {  568}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HA  ))
      4.400     2.400     1.600 peak   568 spectrum    1 weight  0.11000E+01 volume  0.87105E-03 ppm1      7.410 ppm2      4.953 CV     1
 ASSI {  569}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak   569 spectrum    1 weight  0.11000E+01 volume  0.55862E-02 ppm1      7.409 ppm2      2.874 CV     1
 OR {  569}
   (( segid "    " and resid 43   and name HD21))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  570}
   (( segid "    " and resid 43   and name HD21))
   (  segid "    " and resid 30   and name HB% )
      4.200     2.200     1.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.87141E-03 ppm1      7.410 ppm2      1.558 CV     1
 ASSI {  577}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HB1 ))
      4.300     2.300     1.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.24645E-02 ppm1      7.164 ppm2      1.735 CV     1
 OR {  577}
   (( segid "    " and resid 99   and name HE21))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {  586}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 41   and name HG2 ))
      5.700     4.000     0.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.65033E-04 ppm1      7.080 ppm2      2.364 CV     1
 OR {  586}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI {  587}
   (( segid "    " and resid 43   and name HD22))
   (  segid "    " and resid 30   and name HB% )
      6.000     5.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.21126E-03 ppm1      7.082 ppm2      1.555 CV     1
 ASSI {  595}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HG2 ))
      5.700     4.100     0.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.56297E-03 ppm1      6.783 ppm2      1.404 CV     1
 OR {  595}
   (( segid "    " and resid 99   and name HE22))
   (( segid "    " and resid 99   and name HG1 ))
 ASSI {  600}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HG1 ))
      5.600     3.900     0.400 peak   600 spectrum    1 weight  0.11000E+01 volume  0.68380E-03 ppm1      6.949 ppm2      2.428 CV     1
 OR {  600}
   (( segid "    " and resid 56   and name HE22))
   (( segid "    " and resid 56   and name HG2 ))
 ASSI {  608}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      1.800     0.400     0.400 peak   608 spectrum    1 weight  0.11000E+01 volume  0.18844E-02 ppm1      9.579 ppm2      7.443 CV     1
 ASSI {  610}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
      6.000     6.000     0.000 peak   610 spectrum    1 weight  0.11000E+01 volume  0.28389E-03 ppm1      9.580 ppm2      0.315 CV     1
 OR {  610}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI {  615}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   615 spectrum    1 weight  0.11000E+01 volume  0.40158E-03 ppm1      9.384 ppm2      4.093 CV     1
 ASSI {  619}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.300     1.400     1.400 peak   619 spectrum    1 weight  0.11000E+01 volume  0.74574E-03 ppm1      9.064 ppm2      3.203 CV     1
 OR {  619}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI {  623}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.81720E-03 ppm1      9.142 ppm2      4.130 CV     1
 ASSI {  628}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
      4.800     2.900     1.200 peak   628 spectrum    1 weight  0.11000E+01 volume  0.30727E-03 ppm1      9.556 ppm2      2.720 CV     1
 OR {  628}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
 ASSI {  636}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD1 ))
      4.200     2.200     1.800 peak   636 spectrum    1 weight  0.11000E+01 volume  0.13562E-02 ppm1      8.390 ppm2      1.678 CV     1
 OR {  636}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI {  639}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.900     3.000     1.100 peak   639 spectrum    1 weight  0.11000E+01 volume  0.31466E-03 ppm1      9.658 ppm2      7.723 CV     1
 ASSI {  645}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.11000E+01 volume  0.21442E-02 ppm1      7.742 ppm2      4.064 CV     1
 ASSI {  646}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   646 spectrum    1 weight  0.11000E+01 volume  0.43733E-02 ppm1      8.129 ppm2      2.747 CV     1
 OR {  646}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {  647}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.200     0.600     0.600 peak   647 spectrum    1 weight  0.11000E+01 volume  0.43651E-02 ppm1      8.130 ppm2      4.914 CV     1
 ASSI {  650}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak   650 spectrum    1 weight  0.11000E+01 volume  0.38925E-03 ppm1      7.579 ppm2      3.019 CV     1
 OR {  650}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  654}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      5.000     3.100     1.000 peak   654 spectrum    1 weight  0.11000E+01 volume  0.15535E-03 ppm1      7.883 ppm2      8.392 CV     1
 ASSI {  655}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      5.500     3.700     0.500 peak   655 spectrum    1 weight  0.11000E+01 volume  0.18733E-03 ppm1      7.882 ppm2      2.744 CV     1
 OR {  655}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  656}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.000     0.500     0.500 peak   656 spectrum    1 weight  0.11000E+01 volume  0.27507E-02 ppm1      7.882 ppm2      4.914 CV     1
 ASSI {  658}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      4.900     2.900     1.100 peak   658 spectrum    1 weight  0.11000E+01 volume  0.58011E-04 ppm1      8.933 ppm2      3.176 CV     1
 ASSI {  679}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   679 spectrum    1 weight  0.11000E+01 volume  0.78347E-03 ppm1      8.846 ppm2      4.052 CV     1
 ASSI {  686}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.500     0.800     0.800 peak   686 spectrum    1 weight  0.11000E+01 volume  0.67332E-02 ppm1      8.300 ppm2      4.686 CV     1
 ASSI {  688}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.500     2.500     1.500 peak   688 spectrum    1 weight  0.11000E+01 volume  0.49362E-03 ppm1      7.350 ppm2      8.833 CV     1
 ASSI {  690}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      4.100     2.100     1.900 peak   690 spectrum    1 weight  0.11000E+01 volume  0.55933E-03 ppm1      7.350 ppm2      8.393 CV     1
 ASSI {  692}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      4.800     2.800     1.200 peak   692 spectrum    1 weight  0.11000E+01 volume  0.14953E-03 ppm1      8.814 ppm2      1.466 CV     1
 ASSI {  694}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.800     1.800     1.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.89483E-03 ppm1      7.804 ppm2      1.740 CV     1
 OR {  694}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
 ASSI {  701}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
      6.000     6.000     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.13419E-04 ppm1      9.112 ppm2      0.551 CV     1
 OR {  701}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 31   and name HG12))
 ASSI {  705}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      5.700     4.000     0.300 peak   705 spectrum    1 weight  0.11000E+01 volume  0.35569E-03 ppm1      9.125 ppm2      7.986 CV     1
 ASSI {  706}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.300     1.400     1.400 peak   706 spectrum    1 weight  0.11000E+01 volume  0.17369E-02 ppm1      9.262 ppm2      0.926 CV     1
 ASSI {  710}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      3.300     1.400     1.400 peak   710 spectrum    1 weight  0.11000E+01 volume  0.42930E-02 ppm1      8.916 ppm2      0.733 CV     1
 ASSI {  711}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 122  and name HG1%)
      3.500     1.500     1.500 peak   711 spectrum    1 weight  0.11000E+01 volume  0.17562E-02 ppm1      8.918 ppm2      0.841 CV     1
 ASSI {  718}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      5.000     3.200     1.000 peak   718 spectrum    1 weight  0.11000E+01 volume  0.31499E-03 ppm1      7.814 ppm2      0.469 CV     1
 ASSI {  719}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG2%)
      5.400     3.600     0.600 peak   719 spectrum    1 weight  0.11000E+01 volume  0.97936E-03 ppm1      7.814 ppm2      0.690 CV     1
 ASSI {  723}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG12))
      4.600     2.700     1.400 peak   723 spectrum    1 weight  0.10000E+01 volume  0.47797E-03 ppm1      9.295 ppm2      0.539 CV     1
 OR {  723}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
 ASSI {  727}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.800     1.800     1.800 peak   727 spectrum    1 weight  0.11000E+01 volume  0.50638E-03 ppm1      9.071 ppm2      1.820 CV     1
 ASSI {  733}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.11000E+01 volume  0.16987E-02 ppm1      8.865 ppm2      2.019 CV     1
 OR {  733}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  735}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      1.800     0.400     0.400 peak   735 spectrum    1 weight  0.11000E+01 volume  0.76528E-02 ppm1      8.865 ppm2      4.466 CV     1
 ASSI {  736}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.300     3.500     0.700 peak   736 spectrum    1 weight  0.11000E+01 volume  0.22138E-03 ppm1      8.866 ppm2      7.439 CV     1
 ASSI {  738}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      3.200     1.300     1.300 peak   738 spectrum    1 weight  0.11000E+01 volume  0.43615E-02 ppm1      8.374 ppm2      5.056 CV     1
 ASSI {  741}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      5.000     3.100     1.000 peak   741 spectrum    1 weight  0.11000E+01 volume  0.78636E-03 ppm1      8.308 ppm2      2.881 CV     1
 ASSI {  742}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.900     2.900     1.100 peak   742 spectrum    1 weight  0.11000E+01 volume  0.74956E-03 ppm1      7.972 ppm2      8.447 CV     1
 ASSI {  751}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB2 ))
      4.500     2.500     1.500 peak   751 spectrum    1 weight  0.11000E+01 volume  0.17393E-02 ppm1      6.947 ppm2      2.750 CV     1
 OR {  751}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {  756}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.11000E+01 volume  0.36264E-03 ppm1      7.091 ppm2      2.015 CV     1
 OR {  756}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  763}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.500     2.500     1.500 peak   763 spectrum    1 weight  0.11000E+01 volume  0.78339E-03 ppm1      7.907 ppm2      2.745 CV     1
 OR {  763}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {  766}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.400     2.400     1.600 peak   766 spectrum    1 weight  0.11000E+01 volume  0.18868E-03 ppm1      6.661 ppm2      4.792 CV     1
 ASSI {  767}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak   767 spectrum    1 weight  0.11000E+01 volume  0.19126E-02 ppm1      6.661 ppm2      7.928 CV     1
 ASSI {  774}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      5.600     4.000     0.400 peak   774 spectrum    1 weight  0.11000E+01 volume  0.10010E-03 ppm1      9.579 ppm2      8.755 CV     1
 ASSI {  775}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.800     2.900     1.200 peak   775 spectrum    1 weight  0.11000E+01 volume  0.76187E-03 ppm1      8.662 ppm2      9.068 CV     1
 ASSI {  780}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      4.500     2.600     1.500 peak   780 spectrum    1 weight  0.11000E+01 volume  0.53011E-03 ppm1      9.110 ppm2      2.785 CV     1
 OR {  780}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  781}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     5.100     0.000 peak   781 spectrum    1 weight  0.11000E+01 volume  0.12929E-03 ppm1      8.483 ppm2      9.122 CV     1
 ASSI {  788}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.600     2.600     1.400 peak   788 spectrum    1 weight  0.11000E+01 volume  0.63866E-03 ppm1      7.815 ppm2      2.704 CV     1
 OR {  788}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  791}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak   791 spectrum    1 weight  0.11000E+01 volume  0.75604E-03 ppm1      7.814 ppm2      6.957 CV     1
 ASSI {  793}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.500     1.500     1.500 peak   793 spectrum    1 weight  0.11000E+01 volume  0.11327E-02 ppm1      7.846 ppm2      4.736 CV     1
 ASSI {  799}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak   799 spectrum    1 weight  0.11000E+01 volume  0.44394E-02 ppm1      8.031 ppm2      3.991 CV     1
 ASSI {  811}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.100     2.100     1.900 peak   811 spectrum    1 weight  0.11000E+01 volume  0.12506E-02 ppm1      9.066 ppm2      8.917 CV     1
 ASSI {  814}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      3.200     1.300     1.300 peak   814 spectrum    1 weight  0.10000E+01 volume  0.94364E-03 ppm1      8.918 ppm2      1.687 CV     1
 ASSI {  829}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.11000E+01 volume  0.28617E-03 ppm1      7.670 ppm2      2.071 CV     1
 ASSI {  830}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HB1 ))
      6.000     4.600     0.000 peak   830 spectrum    1 weight  0.11000E+01 volume  0.25469E-03 ppm1      7.670 ppm2      2.251 CV     1
 ASSI {  831}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      4.700     2.800     1.300 peak   831 spectrum    1 weight  0.11000E+01 volume  0.54705E-03 ppm1      7.633 ppm2      0.629 CV     1
 ASSI {  838}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.900     1.000     1.000 peak   838 spectrum    1 weight  0.11000E+01 volume  0.43704E-02 ppm1      8.600 ppm2      4.670 CV     1
 ASSI {  839}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 96   and name HD% )
      6.000     6.000     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.94479E-04 ppm1      8.600 ppm2      7.304 CV     1
 ASSI {  841}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      5.300     3.500     0.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.17746E-03 ppm1      8.600 ppm2      3.149 CV     1
 ASSI {  842}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      5.600     3.900     0.400 peak   842 spectrum    1 weight  0.10000E+01 volume  0.11165E-03 ppm1      8.600 ppm2      3.294 CV     1
 ASSI {  844}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      4.500     2.500     1.500 peak   844 spectrum    1 weight  0.11000E+01 volume  0.78968E-03 ppm1      8.600 ppm2      2.617 CV     1
 OR {  844}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
 ASSI {  845}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      6.000     4.600     0.000 peak   845 spectrum    1 weight  0.11000E+01 volume  0.12457E-03 ppm1      8.919 ppm2      3.760 CV     1
 ASSI {  866}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      3.200     1.300     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.42925E-02 ppm1      8.636 ppm2      1.702 CV     1
 ASSI {  872}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 32   and name HG2 ))
      4.800     2.800     1.200 peak   872 spectrum    1 weight  0.10000E+01 volume  0.28874E-03 ppm1     10.371 ppm2      0.732 CV     1
 OR {  872}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI {  874}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.700     4.000     0.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.23651E-03 ppm1      9.658 ppm2      9.244 CV     1
 ASSI {  880}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      4.100     2.100     1.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.16968E-03 ppm1      9.581 ppm2      1.857 CV     1
 ASSI {  881}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      4.300     2.300     1.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.21983E-03 ppm1      9.578 ppm2      2.041 CV     1
 ASSI {  883}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
      6.000     5.000     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.21919E-03 ppm1      9.554 ppm2      0.617 CV     1
 OR {  883}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 120  and name HG1%)
 ASSI {  885}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      3.800     1.800     1.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.15866E-03 ppm1      9.554 ppm2      2.240 CV     1
 OR {  885}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI {  888}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 121  and name HE% )
      6.000     4.700     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.22665E-03 ppm1      9.440 ppm2      6.990 CV     1
 ASSI {  889}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      5.800     4.200     0.200 peak   889 spectrum    1 weight  0.10000E+01 volume  0.22213E-03 ppm1      9.441 ppm2      1.564 CV     1
 ASSI {  894}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
      5.500     3.800     0.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.17714E-03 ppm1      9.405 ppm2      3.473 CV     1
 ASSI {  897}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      4.400     2.400     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.63360E-03 ppm1      9.398 ppm2      1.467 CV     1
 ASSI {  898}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.69979E-04 ppm1      9.400 ppm2      1.660 CV     1
 OR {  898}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI {  899}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
      5.500     3.700     0.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.24901E-03 ppm1      9.393 ppm2      1.858 CV     1
 OR {  899}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI {  900}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.100     2.100     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.20632E-03 ppm1      9.395 ppm2      8.840 CV     1
 ASSI {  902}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 119  and name HE3 ))
      3.700     1.700     1.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.38616E-03 ppm1      9.295 ppm2      6.931 CV     1
 ASSI {  906}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
      3.300     1.400     1.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.65569E-03 ppm1      9.242 ppm2      0.752 CV     1
 ASSI {  908}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.100     3.100     2.900 peak   908 spectrum    1 weight  0.10000E+01 volume  0.99758E-03 ppm1      9.242 ppm2      1.855 CV     1
 ASSI {  909}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      5.100     3.300     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.37185E-03 ppm1      9.225 ppm2      9.036 CV     1
 ASSI {  913}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      5.200     3.300     0.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.33039E-03 ppm1      8.636 ppm2      7.998 CV     1
 ASSI {  919}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 103  and name HB  ))
      6.000     5.300     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10365E-03 ppm1      9.215 ppm2      3.759 CV     1
 ASSI {  922}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HE% )
      6.000     4.700     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.52367E-03 ppm1      9.213 ppm2      7.171 CV     1
 ASSI {  927}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 96   and name HE% )
      4.100     2.100     1.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.18550E-03 ppm1      9.259 ppm2      7.171 CV     1
 ASSI {  930}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.61133E-03 ppm1      8.001 ppm2      1.714 CV     1
 ASSI {  937}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      3.900     1.900     1.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.22782E-03 ppm1      9.040 ppm2      7.123 CV     1
 ASSI {  938}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      5.600     3.900     0.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.26212E-03 ppm1      9.037 ppm2      5.789 CV     1
 ASSI {  940}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      6.000     5.900     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.43935E-04 ppm1      9.035 ppm2      3.103 CV     1
 ASSI {  941}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      4.300     2.300     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.13640E-03 ppm1      9.036 ppm2      1.986 CV     1
 ASSI {  945}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 121  and name HD% )
      4.900     3.000     1.100 peak   945 spectrum    1 weight  0.10000E+01 volume  0.30661E-03 ppm1      9.063 ppm2      7.247 CV     1
 ASSI {  946}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.500     3.500     2.500 peak   946 spectrum    1 weight  0.10000E+01 volume  0.44203E-03 ppm1      9.063 ppm2      4.826 CV     1
 ASSI {  948}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      5.400     3.700     0.600 peak   948 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      9.064 ppm2      7.111 CV     1
 ASSI {  949}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.800     0.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.15843E-03 ppm1      9.025 ppm2      8.750 CV     1
 ASSI {  951}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
      4.500     2.600     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.98449E-04 ppm1      8.976 ppm2      6.897 CV     1
 ASSI {  953}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      4.200     2.200     1.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.21067E-03 ppm1      8.975 ppm2      1.638 CV     1
 ASSI {  957}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
      5.600     3.900     0.400 peak   957 spectrum    1 weight  0.10000E+01 volume  0.75562E-03 ppm1      8.919 ppm2      1.398 CV     1
 OR {  957}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  960}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      5.500     3.800     0.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.24182E-03 ppm1      8.836 ppm2      1.744 CV     1
 ASSI {  964}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.100     0.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.14328E-03 ppm1      8.788 ppm2      8.960 CV     1
 ASSI {  965}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      5.300     3.500     0.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.21369E-03 ppm1      8.681 ppm2      8.336 CV     1
 ASSI {  966}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 92   and name HD% )
      4.700     2.700     1.300 peak   966 spectrum    1 weight  0.10000E+01 volume  0.73015E-03 ppm1      8.663 ppm2      7.126 CV     1
 ASSI {  967}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.900     1.900     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.11130E-02 ppm1      8.624 ppm2      1.729 CV     1
 OR {  967}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  968}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
      5.300     3.500     0.700 peak   968 spectrum    1 weight  0.10000E+01 volume  0.39270E-04 ppm1      8.624 ppm2      3.127 CV     1
 OR {  968}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI {  971}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      6.000     5.100     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.19867E-03 ppm1      8.547 ppm2      6.964 CV     1
 ASSI {  974}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.900     3.000     1.100 peak   974 spectrum    1 weight  0.10000E+01 volume  0.42001E-03 ppm1      8.545 ppm2      9.100 CV     1
 ASSI {  977}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.600     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.43574E-03 ppm1      8.483 ppm2      7.631 CV     1
 ASSI {  981}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     6.000     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.13243E-03 ppm1      8.399 ppm2      2.376 CV     1
 OR {  981}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI {  982}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      5.600     3.900     0.400 peak   982 spectrum    1 weight  0.10000E+01 volume  0.13476E-03 ppm1      8.399 ppm2      9.111 CV     1
 ASSI {  984}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      4.900     3.000     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.37433E-03 ppm1      8.398 ppm2      2.691 CV     1
 ASSI {  985}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      4.900     3.000     1.100 peak   985 spectrum    1 weight  0.10000E+01 volume  0.19187E-03 ppm1      8.398 ppm2      2.857 CV     1
 ASSI {  987}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      6.000     4.800     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.33823E-03 ppm1      8.340 ppm2      2.015 CV     1
 OR {  987}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  989}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      4.200     2.200     1.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.26944E-03 ppm1      8.323 ppm2      1.476 CV     1
 ASSI {  991}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      6.000     6.000     0.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.23234E-04 ppm1      8.131 ppm2      3.313 CV     1
 ASSI {  995}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      5.300     3.500     0.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.12861E-03 ppm1      8.130 ppm2      1.895 CV     1
 OR {  995}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {  996}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HD21))
      5.300     3.500     0.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.29437E-03 ppm1      8.132 ppm2      7.568 CV     1
 ASSI { 1001}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      5.200     3.400     0.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.11557E-03 ppm1      8.391 ppm2      4.871 CV     1
 ASSI { 1006}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      6.000     6.000     0.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.79981E-04 ppm1      8.252 ppm2      6.931 CV     1
 ASSI { 1008}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HG11))
      6.000     4.900     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.77936E-03 ppm1      8.076 ppm2      1.458 CV     1
 ASSI { 1010}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.000     2.000     2.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.21860E-03 ppm1      8.071 ppm2      1.534 CV     1
 OR { 1010}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 1011}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      6.000     6.000     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.21240E-03 ppm1      7.946 ppm2      6.934 CV     1
 ASSI { 1013}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      5.400     3.600     0.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.38057E-04 ppm1      7.882 ppm2      6.796 CV     1
 ASSI { 1015}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      5.800     4.200     0.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.46983E-03 ppm1      7.820 ppm2      4.330 CV     1
 ASSI { 1017}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.100     1.200     1.200 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      7.806 ppm2      1.475 CV     1
 ASSI { 1018}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      6.000     6.000     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.14843E-03 ppm1      7.742 ppm2      1.053 CV     1
 ASSI { 1021}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     6.000     0.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.91411E-04 ppm1      7.741 ppm2      2.747 CV     1
 OR { 1021}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 1026}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     6.000     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.25956E-04 ppm1      7.721 ppm2      2.752 CV     1
 ASSI { 1028}
   (( segid "    " and resid 56   and name HE21))
   (( segid "    " and resid 56   and name HA  ))
      6.000     6.000     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.23661E-03 ppm1      7.669 ppm2      4.253 CV     1
 ASSI { 1032}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.600     1.500 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.33747E-03 ppm1      7.566 ppm2      9.021 CV     1
 ASSI { 1034}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      6.000     6.000     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.25175E-03 ppm1      7.622 ppm2      0.385 CV     1
 ASSI { 1036}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      5.200     3.400     0.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.61570E-03 ppm1      7.624 ppm2      1.452 CV     1
 ASSI { 1041}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HN  ))
      5.600     4.000     0.400 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.38482E-03 ppm1      7.325 ppm2      8.975 CV     1
 ASSI { 1046}
   (( segid "    " and resid 43   and name HD22))
   (( segid "    " and resid 41   and name HB1 ))
      4.900     2.900     1.100 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.24536E-03 ppm1      7.084 ppm2      2.022 CV     1
 ASSI { 1047}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 117  and name HB2 ))
      3.300     1.300     1.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.35056E-03 ppm1      6.645 ppm2      3.593 CV     1
 ASSI { 1049}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 117  and name HB2 ))
      4.600     2.600     1.400 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.19443E-03 ppm1      7.105 ppm2      3.593 CV     1
 ASSI { 1051}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     6.000     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.12255E-03 ppm1      8.375 ppm2      2.694 CV     1
 ASSI { 1052}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     6.000     0.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.89757E-04 ppm1      8.374 ppm2      2.872 CV     1
 ASSI { 1054}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 85   and name HB2 ))
      5.000     3.100     1.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.44434E-03 ppm1      6.947 ppm2      4.044 CV     1
 OR { 1054}
   (( segid "    " and resid 87   and name HD22))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI { 1055}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1055 spectrum    1 weight  0.11000E+01 volume  0.90597E-03 ppm1      9.056 ppm2      4.715 CV     1
 ASSI { 1057}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      5.100     5.100     0.900 peak  1057 spectrum    1 weight  0.11000E+01 volume  0.27225E-03 ppm1      9.056 ppm2      1.370 CV     1
 OR { 1057}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 1059}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.600     2.700     1.400 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.35278E-03 ppm1      6.950 ppm2      2.701 CV     1
 OR { 1059}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1061}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      6.000     6.000     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.11233E-03 ppm1      7.814 ppm2      2.752 CV     1
 OR { 1061}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
!
! Ambiguous restraints from final ARIA run
! ========================================
!
 ASSI {   69}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.300     1.400     1.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.38554E-03 ppm1      9.388 ppm2      8.384 CV     1
 OR {   69}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
 OR {   69}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {   79}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HE3 ))
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      9.381 ppm2      6.912 CV     1
 OR {   79}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE3 ))
 ASSI {  129}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.600     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.81940E-03 ppm1      9.216 ppm2      3.158 CV     1
 OR {  129}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  135}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      3.400     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.31422E-02 ppm1      9.211 ppm2      1.057 CV     1
 OR {  135}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
 ASSI {  405}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 42   and name HE% )
      5.500     3.800     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.19605E-03 ppm1      8.543 ppm2      6.656 CV     1
 OR {  405}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 42   and name HE% )
 OR {  405}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 119  and name HZ3 ))
 ASSI {  407}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.17925E-02 ppm1      8.536 ppm2      2.865 CV     1
 OR {  407}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  407}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  461}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 119  and name HZ3 ))
      5.400     3.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.27632E-03 ppm1      8.392 ppm2      6.654 CV     1
 OR {  461}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HE22))
 OR {  461}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 42   and name HE% )
 ASSI {  478}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.300     1.400     1.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.91924E-03 ppm1      8.388 ppm2      6.820 CV     1
 OR {  478}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
 ASSI {  482}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.600     1.700     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.40694E-03 ppm1      8.387 ppm2      9.393 CV     1
 OR {  482}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
 OR {  482}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
 OR {  482}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
 ASSI {  758}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.200     0.600     0.600 peak   758 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      7.881 ppm2      1.889 CV     1
 OR {  758}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  758}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
 ASSI {  922}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 118  and name HD% )
      3.600     1.700     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.15699E-02 ppm1      7.348 ppm2      6.815 CV     1
 OR {  922}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
 ASSI {  932}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.700     1.700     1.700 peak   932 spectrum    1 weight  0.10000E+01 volume  0.22770E-02 ppm1      7.347 ppm2      1.460 CV     1
 OR {  932}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 112  and name HB% )
 ASSI { 1096}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 79   and name HE% )
      6.000     4.700     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.41898E-03 ppm1      8.045 ppm2      7.355 CV     1
 OR { 1096}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 1241}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.11274E-02 ppm1      7.810 ppm2      6.946 CV     1
 OR { 1241}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
 ASSI { 1263}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB  ))
      2.200     0.600     0.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.85208E-02 ppm1      4.058 ppm2      2.013 CV     1
 OR { 1263}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI { 1291}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 81   and name HG2 ))
      3.400     1.500     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.31162E-02 ppm1      4.058 ppm2      2.168 CV     1
 OR { 1291}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 81   and name HG2 ))
 OR { 1291}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI { 1434}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      5.200     3.400     0.800 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.41301E-03 ppm1      8.388 ppm2      2.689 CV     1
 OR { 1434}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 1444}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.800     4.200     0.200 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.92162E-04 ppm1      8.392 ppm2      9.454 CV     1
 OR { 1444}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1445}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      6.000     6.000     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.13672E-03 ppm1      8.336 ppm2      0.766 CV     1
 OR { 1445}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
 ASSI { 1450}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     5.700     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.28525E-03 ppm1      8.336 ppm2     -0.498 CV     1
 OR { 1450}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 1456}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.600     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.25193E-03 ppm1      8.754 ppm2      4.349 CV     1
 OR { 1456}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 59   and name HA1 ))
 ASSI { 1460}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      5.600     3.900     0.400 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.69204E-04 ppm1      9.575 ppm2      2.029 CV     1
 OR { 1460}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1462}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD1%)
      3.800     1.800     1.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.93498E-03 ppm1      7.438 ppm2      0.765 CV     1
 OR { 1462}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
 ASSI { 1492}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      6.000     6.000     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.11319E-03 ppm1      7.563 ppm2      0.726 CV     1
 OR { 1492}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI { 1493}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      4.600     2.600     1.400 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.99033E-03 ppm1      9.015 ppm2      0.726 CV     1
 OR { 1493}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI { 1536}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      5.600     4.000     0.400 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.55361E-03 ppm1      9.118 ppm2      0.717 CV     1
 OR { 1536}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
 OR { 1536}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1537}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      6.000     6.000     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.10180E-03 ppm1      9.118 ppm2      0.637 CV     1
 OR { 1537}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 120  and name HG2%)
 ASSI { 1544}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.600     1.700     1.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.14565E-02 ppm1      7.804 ppm2      1.732 CV     1
 OR { 1544}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 OR { 1544}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
 ASSI { 1545}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 112  and name HB% )
      3.200     1.300     1.300 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.18550E-02 ppm1      7.804 ppm2      1.464 CV     1
 OR { 1545}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 1549}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.700     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.24561E-03 ppm1      9.388 ppm2      0.229 CV     1
 OR { 1549}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 1556}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      4.500     2.500     1.500 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.56984E-03 ppm1      9.381 ppm2      1.398 CV     1
 OR { 1556}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
 ASSI { 1571}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 32   and name HG2 ))
      2.800     1.000     1.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.38756E-02 ppm1      7.321 ppm2      0.720 CV     1
 OR { 1571}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 32   and name HG1 ))
 OR { 1571}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI { 1585}
   (  segid "    " and resid 94   and name HD% )
   (  segid "    " and resid 107  and name HG1%)
      3.900     1.900     1.900 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.10100E-01 ppm1      6.973 ppm2      0.719 CV     1
 OR { 1585}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 32   and name HG1 ))
 OR { 1585}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1597}
   (  segid "    " and resid 42   and name HE% )
   (( segid "    " and resid 31   and name HG12))
      4.600     2.700     1.400 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.26674E-02 ppm1      6.652 ppm2      0.520 CV     1
 OR { 1597}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 31   and name HG12))
 ASSI { 1616}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 31   and name HB  ))
      2.000     0.500     0.500 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.59039E-02 ppm1      6.974 ppm2      1.392 CV     1
 OR { 1616}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1622}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 36   and name HB1 ))
      4.300     2.400     1.700 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.13942E-02 ppm1      7.322 ppm2      2.865 CV     1
 OR { 1622}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 1622}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1627}
   (  segid "    " and resid 94   and name HD% )
   (( segid "    " and resid 94   and name HB1 ))
      2.300     0.700     0.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.10747E-01 ppm1      6.984 ppm2      2.855 CV     1
 OR { 1627}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1638}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 35   and name HA1 ))
      4.000     2.000     2.000 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.77246E-03 ppm1      7.355 ppm2      3.891 CV     1
 OR { 1638}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 35   and name HA2 ))
 OR { 1638}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 35   and name HA2 ))
 OR { 1638}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 35   and name HA1 ))
 ASSI { 1643}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HA  ))
      1.600     0.300     0.600 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.36563E-02 ppm1      6.814 ppm2      4.444 CV     1
 OR { 1643}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 1644}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 112  and name HA  ))
      1.600     0.300     0.600 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.63938E-02 ppm1      6.844 ppm2      4.447 CV     1
 OR { 1644}
   (( segid "    " and resid 119  and name HD1 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 1655}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.21414E-03 ppm1      6.581 ppm2      5.070 CV     1
 OR { 1655}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1701}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 32   and name HG1 ))
      4.900     3.000     1.100 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.24097E-02 ppm1      2.769 ppm2      0.728 CV     1
 OR { 1701}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
 OR { 1701}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR { 1701}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR { 1701}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HG12))
 ASSI { 1704}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
      3.000     1.200     1.200 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.58742E-02 ppm1      3.401 ppm2      0.728 CV     1
 OR { 1704}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI { 1711}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.600     0.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.19878E-02 ppm1      4.057 ppm2      0.666 CV     1
 OR { 1711}
   (( segid "    " and resid 85   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 1711}
   (( segid "    " and resid 85   and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1713}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
      3.000     1.100     1.100 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.15736E-02 ppm1      4.018 ppm2      0.729 CV     1
 OR { 1713}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 32   and name HG1 ))
 OR { 1713}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR { 1713}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI { 1716}
   (( segid "    " and resid 82   and name HA2 ))
   (  segid "    " and resid 83   and name HG2%)
      4.600     2.600     1.400 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.18366E-02 ppm1      3.581 ppm2      0.671 CV     1
 OR { 1716}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1731}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.600     0.000 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.34861E-03 ppm1      4.456 ppm2      0.906 CV     1
 OR { 1731}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 125  and name HG1%)
 ASSI { 1732}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      3.200     1.300     1.300 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.19066E-02 ppm1      4.342 ppm2      0.767 CV     1
 OR { 1732}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 39   and name HG11))
 ASSI { 1743}
   (  segid "    " and resid 42   and name HE% )
   (  segid "    " and resid 44   and name HB% )
      2.900     1.000     1.000 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.42922E-02 ppm1      6.651 ppm2      1.399 CV     1
 OR { 1743}
   (  segid "    " and resid 42   and name HE% )
   (( segid "    " and resid 31   and name HB  ))
 ASSI { 1750}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 88   and name HB2 ))
      2.500     0.800     0.800 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.17185E-02 ppm1      6.584 ppm2      1.886 CV     1
 OR { 1750}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 88   and name HB1 ))
 OR { 1750}
   (  segid "    " and resid 118  and name HE% )
   (( segid "    " and resid 111  and name HB1 ))
 ASSI { 1752}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 88   and name HB1 ))
      1.900     0.500     0.500 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.18362E-02 ppm1      6.816 ppm2      1.881 CV     1
 OR { 1752}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 88   and name HB2 ))
 OR { 1752}
   (  segid "    " and resid 118  and name HD% )
   (( segid "    " and resid 111  and name HB1 ))
 ASSI { 1779}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      3.700     1.700     1.700 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.79869E-03 ppm1      4.347 ppm2      2.033 CV     1
 OR { 1779}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 39   and name HB  ))
 ASSI { 1817}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 30   and name HB% )
      2.600     0.800     0.800 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.10113E-01 ppm1      2.861 ppm2      1.551 CV     1
 OR { 1817}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 30   and name HB% )
 OR { 1817}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 30   and name HB% )
 ASSI { 1818}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 110  and name HG2 ))
      4.100     2.100     1.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.81589E-02 ppm1      2.867 ppm2      1.480 CV     1
 OR { 1818}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 110  and name HG1 ))
 OR { 1818}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 45   and name HB% )
 OR { 1818}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 45   and name HB% )
 ASSI { 1830}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 112  and name HB% )
      6.000     4.600     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.85308E-03 ppm1      2.697 ppm2      1.469 CV     1
 OR { 1830}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 112  and name HB% )
 OR { 1830}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 112  and name HB% )
 ASSI { 1835}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
      5.300     3.500     0.700 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.12197E-02 ppm1      2.755 ppm2      1.844 CV     1
 OR { 1835}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR { 1835}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1848}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HG12))
      1.900     0.500     0.500 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.13689E-01 ppm1      2.036 ppm2      0.729 CV     1
 OR { 1848}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 60   and name HD2 ))
 OR { 1848}
   (( segid "    " and resid 39   and name HB  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1858}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 125  and name HG2%)
      3.400     1.400     1.400 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.63201E-02 ppm1      1.797 ppm2      0.795 CV     1
 OR { 1858}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 1858}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 125  and name HG2%)
 ASSI { 1859}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 39   and name HG11))
      3.700     1.700     1.700 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.59619E-02 ppm1      1.841 ppm2      0.762 CV     1
 OR { 1859}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI { 1865}
   (( segid "    " and resid 106  and name HD1 ))
   (  segid "    " and resid 125  and name HG2%)
      3.500     3.500     2.500 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.82345E-02 ppm1      1.644 ppm2      0.795 CV     1
 OR { 1865}
   (( segid "    " and resid 106  and name HD2 ))
   (  segid "    " and resid 125  and name HG2%)
 OR { 1865}
   (( segid "    " and resid 123  and name HD1 ))
   (  segid "    " and resid 125  and name HG2%)
 OR { 1865}
   (( segid "    " and resid 123  and name HD2 ))
   (  segid "    " and resid 125  and name HG2%)
 ASSI { 1869}
   (( segid "    " and resid 120  and name HB  ))
   (  segid "    " and resid 120  and name HG1%)
      2.100     0.500     0.500 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.50665E-02 ppm1      1.549 ppm2      0.584 CV     1
 OR { 1869}
   (  segid "    " and resid 30   and name HB% )
   (  segid "    " and resid 120  and name HG1%)
 ASSI { 1871}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HG11))
      1.600     0.300     0.600 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.10897E-01 ppm1      1.401 ppm2      0.528 CV     1
 OR { 1871}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 31   and name HG11))
 ASSI { 1875}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG2%)
      3.500     1.500     1.500 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.67295E-02 ppm1      1.363 ppm2      0.795 CV     1
 OR { 1875}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 125  and name HG2%)
 ASSI { 1889}
   (( segid "    " and resid 39   and name HG12))
   (  segid "    " and resid 39   and name HG2%)
      2.600     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.53609E-02 ppm1      0.730 ppm2      0.305 CV     1
 OR { 1889}
   (( segid "    " and resid 32   and name HG1 ))
   (  segid "    " and resid 39   and name HG2%)
 OR { 1889}
   (( segid "    " and resid 32   and name HG2 ))
   (  segid "    " and resid 39   and name HG2%)
 ASSI { 1904}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HB1 ))
      4.700     2.800     1.300 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.36957E-02 ppm1      2.753 ppm2      1.974 CV     1
 OR { 1904}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1921}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 115  and name HA1 ))
      1.800     0.400     0.400 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.82442E-02 ppm1      3.752 ppm2      4.135 CV     1
 OR { 1921}
   (( segid "    " and resid 102  and name HD2 ))
   (( segid "    " and resid 101  and name HB  ))
 ASSI {   10}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.17601E-02 ppm1      5.750 ppm2      3.462 CV     1
 OR {   10}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
 ASSI {   15}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      1.500     0.300     0.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.25811E-02 ppm1      5.149 ppm2      4.085 CV     1
 OR {   15}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {   17}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      1.800     0.400     0.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.11041E-01 ppm1      5.497 ppm2      3.182 CV     1
 OR {   17}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
 OR {   17}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI {   18}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.100     0.500     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.36107E-02 ppm1      5.486 ppm2      2.993 CV     1
 OR {   18}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
 ASSI {   19}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.600     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.21189E-02 ppm1      5.752 ppm2      3.068 CV     1
 OR {   19}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
 OR {   19}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI {   22}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.26149E-02 ppm1      5.798 ppm2      2.253 CV     1
 OR {   22}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
 OR {   22}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
 OR {   22}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI {   28}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.23675E-02 ppm1      5.800 ppm2      1.821 CV     1
 OR {   28}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 OR {   28}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HD1 ))
 OR {   28}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {   30}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.25452E-02 ppm1      5.068 ppm2      2.766 CV     1
 OR {   30}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 OR {   30}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 OR {   30}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {   31}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.44616E-02 ppm1      5.069 ppm2      2.665 CV     1
 OR {   31}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {   35}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
      2.100     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.29542E-02 ppm1      5.271 ppm2      2.077 CV     1
 OR {   35}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 122  and name HB  ))
 OR {   35}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
 ASSI {   37}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.100     0.600     0.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.59314E-02 ppm1      5.461 ppm2      1.625 CV     1
 OR {   37}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
 OR {   37}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI {   39}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HG2 ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.55818E-02 ppm1      5.184 ppm2      1.492 CV     1
 OR {   39}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HG1 ))
 OR {   39}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 112  and name HB% )
 ASSI {   40}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.100     0.500     0.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.48314E-02 ppm1      5.182 ppm2      1.658 CV     1
 OR {   40}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
 OR {   40}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI {   41}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.10000E+01 volume  0.44271E-02 ppm1      5.185 ppm2      1.822 CV     1
 OR {   41}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {   41}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 OR {   41}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HD1 ))
 OR {   41}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 OR {   41}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI {   42}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.56711E-02 ppm1      4.942 ppm2      1.796 CV     1
 OR {   42}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB1 ))
 OR {   42}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB1 ))
 OR {   42}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
 OR {   42}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 123  and name HB1 ))
 OR {   42}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 OR {   42}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 106  and name HB1 ))
 OR {   42}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
 OR {   42}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {   43}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HG2 ))
      2.900     1.000     1.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.36059E-02 ppm1      4.945 ppm2      1.889 CV     1
 OR {   43}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HG1 ))
 OR {   43}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
 OR {   43}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {   43}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {   44}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 111  and name HD2 ))
      2.900     1.100     1.100 peak    44 spectrum    1 weight  0.10000E+01 volume  0.25915E-02 ppm1      4.921 ppm2      1.641 CV     1
 OR {   44}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HD1 ))
 OR {   44}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HD2 ))
 OR {   44}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
 OR {   44}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
 OR {   44}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 106  and name HD1 ))
 OR {   44}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 106  and name HD2 ))
 OR {   44}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 123  and name HD2 ))
 ASSI {   45}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      4.700     2.800     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.15705E-02 ppm1      4.945 ppm2      1.406 CV     1
 OR {   45}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR {   45}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {   46}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak    46 spectrum    1 weight  0.10000E+01 volume  0.16378E-02 ppm1      5.022 ppm2      2.227 CV     1
 OR {   46}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {   52}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      1.800     0.400     0.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.20818E-01 ppm1      4.909 ppm2      2.735 CV     1
 OR {   52}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
 OR {   52}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
 OR {   52}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 109  and name HG1 ))
 OR {   52}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {   54}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.14312E-02 ppm1      5.019 ppm2      2.973 CV     1
 OR {   54}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
 OR {   54}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 124  and name HD2 ))
 ASSI {   55}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.100     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.12640E-01 ppm1      4.941 ppm2      2.864 CV     1
 OR {   55}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
 OR {   55}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {   56}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.600     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.35974E-02 ppm1      4.952 ppm2      3.103 CV     1
 OR {   56}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI {   57}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.24993E-02 ppm1      5.008 ppm2      3.177 CV     1
 OR {   57}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI {   63}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.300     2.300     3.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.17470E-01 ppm1      4.544 ppm2      2.672 CV     1
 OR {   63}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
 ASSI {   68}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
      4.100     2.100     1.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.31209E-02 ppm1      4.371 ppm2      2.144 CV     1
 OR {   68}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
 OR {   68}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
 ASSI {   69}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      3.000     1.100     1.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.96247E-02 ppm1      4.353 ppm2      2.039 CV     1
 OR {   69}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG1 ))
 OR {   69}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
 OR {   69}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 39   and name HB  ))
 OR {   69}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {   69}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {   70}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG2 ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.48960E-02 ppm1      4.459 ppm2      2.035 CV     1
 OR {   70}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 OR {   70}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG1 ))
 OR {   70}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HG1 ))
 OR {   70}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HG2 ))
 OR {   70}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
 OR {   70}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 125  and name HB  ))
 OR {   70}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
 OR {   70}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 39   and name HB  ))
 ASSI {   72}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.57112E-02 ppm1      4.444 ppm2      1.865 CV     1
 OR {   72}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
 OR {   72}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {   72}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 110  and name HD1 ))
 OR {   72}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
 OR {   72}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 OR {   72}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {   72}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 OR {   72}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 110  and name HD2 ))
 OR {   72}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 110  and name HD1 ))
 OR {   72}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI {   73}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.900     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.39445E-02 ppm1      4.391 ppm2      1.862 CV     1
 OR {   73}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {   73}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {   75}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HD1 ))
      2.100     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.87816E-02 ppm1      4.889 ppm2      4.077 CV     1
 OR {   75}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {   76}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB  ))
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.43893E-02 ppm1      4.922 ppm2      4.133 CV     1
 OR {   76}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {   83}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB  ))
      2.600     0.800     0.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.75330E-02 ppm1      4.484 ppm2      3.778 CV     1
 OR {   83}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
 OR {   83}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HA2 ))
 ASSI {   84}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.86181E-02 ppm1      4.484 ppm2      3.882 CV     1
 OR {   84}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
 ASSI {   88}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 115  and name HA2 ))
      1.900     0.400     0.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.96221E-02 ppm1      4.126 ppm2      3.754 CV     1
 OR {   88}
   (( segid "    " and resid 101  and name HB  ))
   (( segid "    " and resid 102  and name HD2 ))
 OR {   88}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 114  and name HB2 ))
 ASSI {   89}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HD2 ))
      3.500     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.97388E-02 ppm1      4.357 ppm2      3.997 CV     1
 OR {   89}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HA2 ))
 ASSI {   90}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.11811E-01 ppm1      4.355 ppm2      4.064 CV     1
 OR {   90}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
 OR {   90}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HD1 ))
 OR {   90}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HA1 ))
 OR {   90}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 84   and name HA  ))
 OR {   90}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HA1 ))
 ASSI {   94}
   (( segid "    " and resid 47   and name HA1 ))
   (( segid "    " and resid 47   and name HA2 ))
      1.500     0.300     0.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.27489E-01 ppm1      4.073 ppm2      3.871 CV     1
 OR {   94}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 35   and name HA2 ))
 OR {   94}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 35   and name HA2 ))
 ASSI {   95}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.99112E-02 ppm1      4.004 ppm2      3.436 CV     1
 OR {   95}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 OR {   95}
   (( segid "    " and resid 77   and name HA1 ))
   (( segid "    " and resid 80   and name HA  ))
 OR {   95}
   (( segid "    " and resid 77   and name HA2 ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {   96}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.000     1.100     1.100 peak    96 spectrum    1 weight  0.10000E+01 volume  0.27983E-02 ppm1      4.106 ppm2      3.039 CV     1
 OR {   96}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 89   and name HB2 ))
 OR {   96}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 108  and name HB2 ))
 OR {   96}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {   97}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HA2 ))
      1.600     0.300     0.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.65673E-02 ppm1      4.074 ppm2      3.574 CV     1
 OR {   97}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   97}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   97}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HA2 ))
 OR {   97}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  106}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      3.500     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.36351E-02 ppm1      5.269 ppm2      0.797 CV     1
 OR {  106}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
 OR {  106}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
 OR {  106}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 125  and name HG2%)
 ASSI {  107}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
      2.500     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.28586E-02 ppm1      5.272 ppm2      0.898 CV     1
 OR {  107}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 OR {  107}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 125  and name HG1%)
 ASSI {  109}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 122  and name HG1%)
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.30650E-02 ppm1      5.040 ppm2      0.851 CV     1
 OR {  109}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 122  and name HG1%)
 ASSI {  110}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HG1%)
      2.900     1.100     1.100 peak   110 spectrum    1 weight  0.10000E+01 volume  0.44992E-02 ppm1      5.041 ppm2      0.742 CV     1
 OR {  110}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 122  and name HG2%)
 OR {  110}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG11))
 OR {  110}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 122  and name HG2%)
 OR {  110}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 107  and name HG1%)
 OR {  110}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
 OR {  110}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
 OR {  110}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  111}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 107  and name HG2%)
      3.800     1.800     1.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.47622E-02 ppm1      4.965 ppm2      0.625 CV     1
 OR {  111}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 107  and name HG2%)
 ASSI {  113}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 107  and name HG2%)
      4.000     2.000     2.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.31201E-02 ppm1      5.064 ppm2      0.673 CV     1
 OR {  113}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  113}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 120  and name HG2%)
 OR {  113}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  114}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HG2%)
      3.600     1.600     1.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.14343E-02 ppm1      5.039 ppm2      0.627 CV     1
 OR {  114}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 107  and name HG2%)
 OR {  114}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  114}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  116}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 120  and name HG2%)
      5.300     3.600     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.15727E-02 ppm1      4.552 ppm2      0.673 CV     1
 OR {  116}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  116}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 120  and name HG2%)
 ASSI {  117}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 101  and name HG2%)
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.44904E-02 ppm1      4.745 ppm2      1.212 CV     1
 OR {  117}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI {  119}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      2.600     0.800     0.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.90367E-02 ppm1      4.344 ppm2      0.770 CV     1
 OR {  119}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 39   and name HG12))
 OR {  119}
   (( segid "    " and resid 59   and name HA1 ))
   (( segid "    " and resid 39   and name HG11))
 ASSI {  120}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      5.600     3.900     0.400 peak   120 spectrum    1 weight  0.10000E+01 volume  0.14566E-02 ppm1      4.350 ppm2      0.673 CV     1
 OR {  120}
   (( segid "    " and resid 59   and name HA1 ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  120}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  120}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  121}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      5.100     3.200     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.19863E-02 ppm1      4.372 ppm2      0.630 CV     1
 OR {  121}
   (( segid "    " and resid 59   and name HA1 ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  121}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  121}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  122}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
      3.600     1.700     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.85250E-02 ppm1      4.462 ppm2      0.908 CV     1
 OR {  122}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  122}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 125  and name HG1%)
 ASSI {  125}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      1.600     0.300     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.11614E-01 ppm1      4.323 ppm2      1.056 CV     1
 OR {  125}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {  126}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 88   and name HG  ))
      1.600     0.300     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.94691E-02 ppm1      4.102 ppm2      1.057 CV     1
 OR {  126}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
 OR {  126}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HG  ))
 OR {  126}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 88   and name HG  ))
 OR {  126}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
 OR {  126}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
 ASSI {  130}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HG1%)
      3.000     1.100     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.73798E-02 ppm1      4.070 ppm2      0.599 CV     1
 OR {  130}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HG2%)
 OR {  130}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI {  131}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      2.900     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.59936E-02 ppm1      4.055 ppm2      0.670 CV     1
 OR {  131}
   (( segid "    " and resid 82   and name HA1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  131}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 120  and name HG2%)
 OR {  131}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  131}
   (( segid "    " and resid 85   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  131}
   (( segid "    " and resid 85   and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  132}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG11))
      2.800     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.38252E-02 ppm1      4.023 ppm2      0.735 CV     1
 OR {  132}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
 OR {  132}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {  132}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  132}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
 OR {  132}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  137}
   (( segid "    " and resid 35   and name HA2 ))
   (  segid "    " and resid 83   and name HG2%)
      2.700     2.700     3.300 peak   137 spectrum    1 weight  0.10000E+01 volume  0.79732E-02 ppm1      3.889 ppm2      0.669 CV     1
 OR {  137}
   (( segid "    " and resid 35   and name HA1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  137}
   (( segid "    " and resid 35   and name HA1 ))
   (  segid "    " and resid 120  and name HG2%)
 OR {  137}
   (( segid "    " and resid 35   and name HA2 ))
   (  segid "    " and resid 120  and name HG2%)
 ASSI {  141}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 90   and name HG2%)
      2.200     0.600     0.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.13043E-01 ppm1      4.135 ppm2      1.213 CV     1
 OR {  141}
   (( segid "    " and resid 101  and name HB  ))
   (  segid "    " and resid 101  and name HG2%)
 ASSI {  144}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.100     0.500     0.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.20734E-01 ppm1      4.356 ppm2      1.406 CV     1
 OR {  144}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  144}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
 OR {  144}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  145}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HB% )
      2.400     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.17568E-01 ppm1      4.363 ppm2      1.472 CV     1
 OR {  145}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG11))
 OR {  145}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 45   and name HB% )
 ASSI {  146}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HB% )
      1.800     0.400     0.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.16572E-01 ppm1      4.447 ppm2      1.462 CV     1
 OR {  146}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 112  and name HB% )
 OR {  146}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 110  and name HG1 ))
 OR {  146}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HG1 ))
 ASSI {  147}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.39214E-02 ppm1      4.489 ppm2      1.360 CV     1
 OR {  147}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR {  147}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG1 ))
 OR {  147}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HG2 ))
 OR {  147}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  148}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.73962E-02 ppm1      4.307 ppm2      1.262 CV     1
 OR {  148}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
 ASSI {  149}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
      2.300     0.700     0.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.16548E-01 ppm1      4.343 ppm2      1.262 CV     1
 OR {  149}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HG2%)
 OR {  149}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
 ASSI {  150}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB  ))
      2.000     0.500     0.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.23778E-01 ppm1      4.034 ppm2      2.016 CV     1
 OR {  150}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB  ))
 OR {  150}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
 OR {  150}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 81   and name HB1 ))
 OR {  150}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 81   and name HB1 ))
 OR {  150}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 81   and name HB1 ))
 OR {  150}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 111  and name HG2 ))
 OR {  150}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
 OR {  150}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 111  and name HG1 ))
 ASSI {  151}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG2 ))
      1.900     0.500     0.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.23251E-01 ppm1      3.973 ppm2      2.010 CV     1
 OR {  151}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
 OR {  151}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG1 ))
 OR {  151}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  152}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
      3.000     1.100     1.100 peak   152 spectrum    1 weight  0.10000E+01 volume  0.12760E-01 ppm1      3.973 ppm2      2.165 CV     1
 OR {  152}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HB2 ))
 OR {  152}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HB1 ))
 ASSI {  153}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 81   and name HG2 ))
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.82776E-02 ppm1      4.055 ppm2      2.170 CV     1
 OR {  153}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 81   and name HG2 ))
 OR {  153}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
 OR {  153}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI {  154}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.500     1.600     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.40779E-02 ppm1      4.046 ppm2      2.353 CV     1
 OR {  154}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 OR {  154}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HG1 ))
 ASSI {  158}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB  ))
      2.600     0.900     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.57748E-02 ppm1      3.746 ppm2      1.808 CV     1
 OR {  158}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  160}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.22388E-02 ppm1      3.403 ppm2      1.841 CV     1
 OR {  160}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI {  161}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      2.600     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.26574E-02 ppm1      3.401 ppm2      2.043 CV     1
 OR {  161}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
 OR {  161}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  162}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.100     0.600     0.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.12776E-01 ppm1      3.443 ppm2      1.496 CV     1
 OR {  162}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 OR {  162}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
 ASSI {  164}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 103  and name HG2%)
      2.900     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.49347E-02 ppm1      3.738 ppm2      1.209 CV     1
 OR {  164}
   (( segid "    " and resid 102  and name HD2 ))
   (  segid "    " and resid 101  and name HG2%)
 ASSI {  168}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
      2.900     1.000     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.51699E-02 ppm1      3.402 ppm2      0.735 CV     1
 OR {  168}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 39   and name HG11))
 OR {  168}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  168}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  169}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      3.000     3.000     3.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.51167E-02 ppm1      3.459 ppm2      0.673 CV     1
 OR {  169}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 107  and name HG2%)
 ASSI {  170}
   (( segid "    " and resid 82   and name HA2 ))
   (  segid "    " and resid 83   and name HG2%)
      4.100     2.100     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.46821E-02 ppm1      3.564 ppm2      0.674 CV     1
 OR {  170}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 39   and name HD1%)
 OR {  170}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 120  and name HG2%)
 OR {  170}
   (( segid "    " and resid 82   and name HA2 ))
   (  segid "    " and resid 120  and name HG2%)
 ASSI {  171}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 40   and name HD2%)
      3.300     1.400     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.44774E-02 ppm1      3.744 ppm2      0.767 CV     1
 OR {  171}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
 OR {  171}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 125  and name HG2%)
 ASSI {  172}
   (( segid "    " and resid 37   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.26556E-02 ppm1      3.577 ppm2      0.231 CV     1
 OR {  172}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI {  174}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10454E-01 ppm1      4.209 ppm2      2.047 CV     1
 OR {  174}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  174}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  175}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 88   and name HB2 ))
      3.200     1.300     1.300 peak   175 spectrum    1 weight  0.10000E+01 volume  0.62811E-02 ppm1      4.033 ppm2      1.869 CV     1
 OR {  175}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  175}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
 OR {  175}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 OR {  175}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 OR {  175}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  175}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
 OR {  175}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  175}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {  175}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {  175}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {  175}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {  175}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 111  and name HB1 ))
 ASSI {  177}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 111  and name HD2 ))
      4.300     2.300     1.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.71015E-02 ppm1      4.118 ppm2      1.644 CV     1
 OR {  177}
   (( segid "    " and resid 115  and name HA1 ))
   (( segid "    " and resid 111  and name HD2 ))
 OR {  177}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 110  and name HB1 ))
 OR {  177}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 110  and name HB2 ))
 OR {  177}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI {  180}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.000     0.500     0.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.61881E-02 ppm1      4.392 ppm2      1.704 CV     1
 OR {  180}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 111  and name HD1 ))
 ASSI {  182}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
      5.200     3.400     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.55883E-03 ppm1      4.422 ppm2      3.195 CV     1
 OR {  182}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
 OR {  182}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
 OR {  182}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
 OR {  182}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI {  190}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 108  and name HB2 ))
      1.300     0.200     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.18586E-01 ppm1      3.457 ppm2      3.068 CV     1
 OR {  190}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  192}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.600     0.300     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.92914E-02 ppm1      2.973 ppm2      2.229 CV     1
 OR {  192}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 109  and name HB2 ))
 OR {  192}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 109  and name HB1 ))
 OR {  192}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI {  195}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 111  and name HD1 ))
      3.500     1.500     1.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.14659E-01 ppm1      3.026 ppm2      1.722 CV     1
 OR {  195}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 OR {  195}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 111  and name HD1 ))
 ASSI {  197}
   (( segid "    " and resid 59   and name HA2 ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.77100E-02 ppm1      3.663 ppm2      1.868 CV     1
 OR {  197}
   (( segid "    " and resid 59   and name HA2 ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI {  198}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 111  and name HB1 ))
      4.800     2.900     1.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.40427E-02 ppm1      3.735 ppm2      1.869 CV     1
 OR {  198}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {  198}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR {  198}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  198}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 111  and name HB1 ))
 OR {  198}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {  198}
   (( segid "    " and resid 115  and name HA2 ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {  199}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 39   and name HG2%)
      3.300     1.400     1.400 peak   199 spectrum    1 weight  0.10000E+01 volume  0.23923E-02 ppm1      2.749 ppm2      0.312 CV     1
 OR {  199}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
 OR {  199}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 39   and name HG2%)
 ASSI {  200}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      4.000     2.000     2.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      2.879 ppm2      0.797 CV     1
 OR {  200}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 31   and name HG2%)
 OR {  200}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  200}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 31   and name HG2%)
 OR {  200}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 122  and name HG1%)
 ASSI {  201}
   (( segid "    " and resid 35   and name HA2 ))
   (  segid "    " and resid 83   and name HG1%)
      3.300     1.300     1.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.54102E-02 ppm1      3.890 ppm2     -0.504 CV     1
 OR {  201}
   (( segid "    " and resid 35   and name HA1 ))
   (  segid "    " and resid 83   and name HG1%)
 OR {  201}
   (( segid "    " and resid 35   and name HA2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  204}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
      2.100     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.13532E-01 ppm1      1.528 ppm2     -0.503 CV     1
 OR {  204}
   (( segid "    " and resid 120  and name HB  ))
   (  segid "    " and resid 33   and name HD2%)
 OR {  204}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
 OR {  204}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  206}
   (  segid "    " and resid 120  and name HG2%)
   (  segid "    " and resid 33   and name HD2%)
      2.100     0.500     0.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.13701E-01 ppm1      0.669 ppm2     -0.502 CV     1
 OR {  206}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  208}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      2.200     2.200     3.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.27566E-02 ppm1      1.633 ppm2      0.233 CV     1
 OR {  208}
   (( segid "    " and resid 111  and name HD2 ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI {  212}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      1.631 ppm2      0.309 CV     1
 OR {  212}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
 ASSI {  216}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 32   and name HG2 ))
      1.800     0.400     0.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.15858E-01 ppm1      2.046 ppm2      0.738 CV     1
 OR {  216}
   (( segid "    " and resid 122  and name HB  ))
   (  segid "    " and resid 122  and name HG2%)
 OR {  216}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 32   and name HG1 ))
 OR {  216}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HG12))
 OR {  216}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HG11))
 OR {  216}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 122  and name HG2%)
 OR {  216}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  216}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  217}
   (( segid "    " and resid 125  and name HB  ))
   (  segid "    " and resid 125  and name HG2%)
      2.200     0.600     0.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.12579E-01 ppm1      2.021 ppm2      0.795 CV     1
 OR {  217}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HG11))
 OR {  217}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  219}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.18989E-01 ppm1      1.834 ppm2      0.906 CV     1
 OR {  219}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 125  and name HG1%)
 OR {  219}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 105  and name HG1%)
 OR {  219}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  221}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 39   and name HG11))
      3.500     1.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.10114E-01 ppm1      1.617 ppm2      0.776 CV     1
 OR {  221}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 31   and name HG2%)
 OR {  221}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 OR {  221}
   (( segid "    " and resid 106  and name HD2 ))
   (  segid "    " and resid 125  and name HG2%)
 OR {  221}
   (( segid "    " and resid 123  and name HD1 ))
   (  segid "    " and resid 125  and name HG2%)
 OR {  221}
   (( segid "    " and resid 123  and name HD2 ))
   (  segid "    " and resid 125  and name HG2%)
 OR {  221}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  222}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 125  and name HG2%)
      3.300     1.400     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.75398E-02 ppm1      1.796 ppm2      0.795 CV     1
 OR {  222}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
 OR {  222}
   (( segid "    " and resid 106  and name HB1 ))
   (  segid "    " and resid 125  and name HG2%)
 OR {  222}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 125  and name HG2%)
 ASSI {  223}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HG11))
      1.700     0.400     0.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.14766E-01 ppm1      1.401 ppm2      0.528 CV     1
 OR {  223}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HG12))
 OR {  223}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 31   and name HG12))
 OR {  223}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 31   and name HG11))
 ASSI {  225}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG1 ))
      1.900     0.500     0.500 peak   225 spectrum    1 weight  0.10000E+01 volume  0.22090E-01 ppm1      1.869 ppm2      1.333 CV     1
 OR {  225}
   (( segid "    " and resid 123  and name HG1 ))
   (( segid "    " and resid 124  and name HB1 ))
 OR {  225}
   (( segid "    " and resid 123  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 OR {  225}
   (( segid "    " and resid 123  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
 OR {  225}
   (( segid "    " and resid 123  and name HG1 ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI {  227}
   (( segid "    " and resid 49   and name HG11))
   (  segid "    " and resid 49   and name HD1%)
      2.600     0.800     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.86742E-02 ppm1      1.475 ppm2      0.941 CV     1
 OR {  227}
   (  segid "    " and resid 112  and name HB% )
   (  segid "    " and resid 113  and name HD2%)
 OR {  227}
   (  segid "    " and resid 112  and name HB% )
   (  segid "    " and resid 113  and name HD1%)
 ASSI {  228}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 105  and name HG1%)
      3.900     1.900     1.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.95195E-02 ppm1      1.430 ppm2      0.879 CV     1
 OR {  228}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 125  and name HG1%)
 ASSI {  229}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG11))
      2.400     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.50579E-02 ppm1      1.854 ppm2      1.212 CV     1
 OR {  229}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  229}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI {  233}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.100     0.200     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.77534E-01 ppm1      2.860 ppm2      2.681 CV     1
 OR {  233}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  242}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      1.900     0.400     0.400 peak   242 spectrum    1 weight  0.10000E+01 volume  0.19796E-02 ppm1      4.082 ppm2      5.148 CV     1
 OR {  242}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 110  and name HA  ))
 OR {  242}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
 OR {  242}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
 OR {  242}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 110  and name HA  ))
 OR {  242}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
 OR {  242}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI {  247}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 79   and name HD% )
      1.900     0.500     0.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.17035E-01 ppm1      7.317 ppm2      6.955 CV     1
 OR {  247}
   (  segid "    " and resid 96   and name HD% )
   (  segid "    " and resid 94   and name HD% )
 OR {  247}
   (( segid "    " and resid 119  and name HZ2 ))
   (( segid "    " and resid 119  and name HE3 ))
 ASSI {  254}
   (  segid "    " and resid 42   and name HD% )
   (  segid "    " and resid 42   and name HE% )
      1.700     0.400     0.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.32091E-01 ppm1      6.962 ppm2      6.661 CV     1
 OR {  254}
   (  segid "    " and resid 42   and name HD% )
   (( segid "    " and resid 119  and name HZ3 ))
 ASSI {  259}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.700     0.900     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.31035E-02 ppm1      7.073 ppm2      5.748 CV     1
 OR {  259}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 91   and name HA  ))
 OR {  259}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI {    7}
   (( segid "    " and resid 119  and name HE1 ))
   (  segid "    " and resid 112  and name HB% )
      1.900     0.400     0.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.37653E-02 ppm1     10.370 ppm2      1.476 CV     1
 OR {    7}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 110  and name HG2 ))
 ASSI {   17}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.51521E-02 ppm1      9.581 ppm2      0.740 CV     1
 OR {   17}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
 OR {   17}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {   48}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      4.500     2.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.32224E-03 ppm1      9.402 ppm2      1.238 CV     1
 OR {   48}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {   52}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.000     1.100     1.100 peak    52 spectrum    1 weight  0.10000E+01 volume  0.12180E-02 ppm1      9.396 ppm2      4.455 CV     1
 OR {   52}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI {   54}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      2.900     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.90226E-03 ppm1      9.394 ppm2      8.389 CV     1
 OR {   54}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
 OR {   54}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {   70}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      3.000     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.14727E-02 ppm1      9.293 ppm2      1.413 CV     1
 OR {   70}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {   75}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.600     1.600     1.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23848E-02 ppm1      9.260 ppm2      1.779 CV     1
 OR {   75}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 OR {   75}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
 ASSI {  104}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      4.400     2.400     1.600 peak   104 spectrum    1 weight  0.10000E+01 volume  0.72048E-03 ppm1      9.142 ppm2      5.776 CV     1
 OR {  104}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  111}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD1 ))
      4.400     2.400     1.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.22006E-02 ppm1      9.126 ppm2      1.653 CV     1
 OR {  111}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HD2 ))
 OR {  111}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 123  and name HD1 ))
 OR {  111}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 123  and name HD2 ))
 ASSI {  117}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      2.600     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.35147E-02 ppm1      9.126 ppm2      1.808 CV     1
 OR {  117}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 OR {  117}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
 ASSI {  118}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG1 ))
      4.700     2.800     1.300 peak   118 spectrum    1 weight  0.10000E+01 volume  0.39634E-03 ppm1      9.124 ppm2      1.381 CV     1
 OR {  118}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
 OR {  118}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR {  118}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  132}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      3.800     1.800     1.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.12755E-02 ppm1      9.039 ppm2      1.808 CV     1
 OR {  132}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 OR {  132}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI {  135}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HD2 ))
      5.600     3.900     0.400 peak   135 spectrum    1 weight  0.10000E+01 volume  0.10064E-02 ppm1      9.035 ppm2      1.656 CV     1
 OR {  135}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HD1 ))
 OR {  135}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 123  and name HD2 ))
 ASSI {  146}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      5.400     3.600     0.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.18211E-03 ppm1      9.025 ppm2      0.748 CV     1
 OR {  146}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
 OR {  146}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  172}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HB  ))
      3.200     1.300     1.300 peak   172 spectrum    1 weight  0.10000E+01 volume  0.11226E-02 ppm1      8.919 ppm2      2.091 CV     1
 OR {  172}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
 ASSI {  184}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     6.000     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.60907E-05 ppm1      8.837 ppm2      1.494 CV     1
 OR {  184}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR {  184}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
 OR {  184}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI {  203}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      2.200     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.64731E-02 ppm1      8.758 ppm2      0.749 CV     1
 OR {  203}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
 OR {  203}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  213}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 79   and name HE% )
      4.700     2.700     1.300 peak   213 spectrum    1 weight  0.10000E+01 volume  0.98847E-03 ppm1      8.682 ppm2      7.347 CV     1
 OR {  213}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
 ASSI {  234}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     6.000     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.16193E-03 ppm1      8.758 ppm2      2.755 CV     1
 OR {  234}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  257}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 42   and name HE% )
      5.200     3.400     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.26228E-03 ppm1      8.543 ppm2      6.656 CV     1
 OR {  257}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 119  and name HZ3 ))
 ASSI {  299}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 119  and name HZ3 ))
      6.000     6.000     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.60948E-05 ppm1      8.399 ppm2      6.664 CV     1
 OR {  299}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 42   and name HE% )
 ASSI {  312}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 119  and name HD1 ))
      2.500     0.800     0.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.11136E-02 ppm1      8.394 ppm2      6.831 CV     1
 OR {  312}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
 ASSI {  315}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      4.600     2.700     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.76123E-04 ppm1      8.392 ppm2      9.390 CV     1
 OR {  315}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
 ASSI {  317}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.300     1.400     1.400 peak   317 spectrum    1 weight  0.10000E+01 volume  0.31599E-02 ppm1      8.393 ppm2      1.884 CV     1
 OR {  317}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
 OR {  317}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  317}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  500}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      3.200     1.300     1.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.19614E-02 ppm1      7.721 ppm2      0.744 CV     1
 OR {  500}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  500}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  544}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      1.900     0.500     0.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.67159E-02 ppm1      7.443 ppm2      1.432 CV     1
 OR {  544}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  544}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
 ASSI {  547}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      1.800     0.400     0.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.60093E-02 ppm1      7.443 ppm2      0.741 CV     1
 OR {  547}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  547}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
 ASSI {  624}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      4.200     2.200     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.30312E-03 ppm1      9.140 ppm2      2.248 CV     1
 OR {  624}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 OR {  624}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 OR {  624}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI {  673}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 79   and name HE% )
      6.000     5.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.41245E-03 ppm1      8.051 ppm2      7.341 CV     1
 OR {  673}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
 OR {  673}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HD22))
 ASSI {  696}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD% )
      4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.48379E-03 ppm1      9.105 ppm2      6.991 CV     1
 OR {  696}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 121  and name HE% )
 ASSI {  700}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      5.700     4.100     0.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.28387E-03 ppm1      9.099 ppm2      1.557 CV     1
 OR {  700}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 120  and name HB  ))
 ASSI {  813}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      3.200     1.300     1.300 peak   813 spectrum    1 weight  0.10000E+01 volume  0.16951E-02 ppm1      8.917 ppm2      1.807 CV     1
 OR {  813}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
 OR {  813}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {  817}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     5.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11712E-03 ppm1      8.545 ppm2      4.360 CV     1
 OR {  817}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  887}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 119  and name HE3 ))
      5.900     4.300     0.100 peak   887 spectrum    1 weight  0.10000E+01 volume  0.34515E-03 ppm1      9.456 ppm2      6.909 CV     1
 OR {  887}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
 ASSI {  903}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 122  and name HG2%)
      6.000     6.000     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.19821E-03 ppm1      9.295 ppm2      0.722 CV     1
 OR {  903}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 OR {  903}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  903}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
 ASSI {  904}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.500     3.800     0.500 peak   904 spectrum    1 weight  0.10000E+01 volume  0.54319E-03 ppm1      9.245 ppm2      6.950 CV     1
 OR {  904}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HZ  ))
 ASSI {  916}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      5.800     4.200     0.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.15446E-03 ppm1      8.932 ppm2      8.404 CV     1
 OR {  916}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI {  935}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 125  and name HG2%)
      6.000     6.000     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.14606E-03 ppm1      8.918 ppm2      0.807 CV     1
 OR {  935}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  939}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG2 ))
      4.000     2.000     2.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.11766E-02 ppm1      9.035 ppm2      1.374 CV     1
 OR {  939}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG1 ))
 OR {  939}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI {  942}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     5.100     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.12057E-03 ppm1      9.088 ppm2      1.386 CV     1
 OR {  942}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR {  942}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  954}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      6.000     5.400     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.28307E-03 ppm1      8.980 ppm2      0.730 CV     1
 OR {  954}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 60   and name HD2 ))
 OR {  954}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI {  961}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     5.500     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.33701E-04 ppm1      8.834 ppm2      8.381 CV     1
 OR {  961}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI {  983}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.500     2.500     1.500 peak   983 spectrum    1 weight  0.10000E+01 volume  0.46924E-03 ppm1      8.399 ppm2      9.441 CV     1
 OR {  983}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI {  986}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     5.700     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.79439E-04 ppm1      8.400 ppm2      8.802 CV     1
 OR {  986}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  992}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      5.600     3.900     0.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.14051E-03 ppm1      8.132 ppm2      3.593 CV     1
 OR {  992}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI {  999}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 118  and name HD% )
      3.900     1.900     1.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.35935E-03 ppm1      8.391 ppm2      6.826 CV     1
 OR {  999}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 119  and name HD1 ))
!
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/cedric/PYP/pyp-work/ARIA/pB/pred-03mars.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! 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 -119  48 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 -110  28 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 -102  48 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 -113  40 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 -109  38 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -107  52 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0 -105  34 2

! Talos derived phi restraint:
assign (resid  41 and name C)
       (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       1.0 -114  28 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -101  44 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 -105  46 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 -114  38 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -117  50 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -106  56 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -126  56 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -101  74 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 -66  20 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 -61  20 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 -69  20 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 -68  20 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 -60  20 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 -69  20 2

! Talos derived phi restraint:
assign (resid  88 and name C)
       (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       1.0 -93  50 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 -111  42 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 -122  46 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 -119  26 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 -130  20 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 -93  32 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 -113  32 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 -99  46 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 -101  40 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 -130  32 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 -111  40 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 -111  36 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  34 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 -118  50 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 -128  24 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 -116  54 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 -92  60 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 -88  24 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 -117  46 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 -118  44 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 -109  30 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 -105  20 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 -119  32 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 -124  34 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 -99  44 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)
       1.0 135  32 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)
       1.0 116  22 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)
       1.0 124  30 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)
       1.0 139  28 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)
       1.0 149  40 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0 133  26 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0 126  60 2

! Talos derived psi restraint:
assign (resid  42 and name N)
       (resid  42 and name CA)
       (resid  42 and name C)
       (resid  43 and name N)
       1.0 123  32 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 128  34 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)
       1.0 120  28 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)
       1.0 120  40 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 120  68 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 112  48 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 146  60 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)
       1.0 133  36 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 -44  20 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 -45  20 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 -30  26 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 -41  20 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 -44  22 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 -32  26 2

! Talos derived psi restraint:
assign (resid  89 and name N)
       (resid  89 and name CA)
       (resid  89 and name C)
       (resid  90 and name N)
       1.0 126  24 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)
       1.0 143  26 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)
       1.0 132  22 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)
       1.0 139  36 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)
       1.0 131  42 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)
       1.0 128  22 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)
       1.0 141  44 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)
       1.0 134  34 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)
       1.0 139  38 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)
       1.0 155  20 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  26 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)
       1.0 124  20 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)
       1.0 136  28 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)
       1.0 139  30 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)
       1.0 134  22 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)
       1.0 125  20 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)
       1.0 121  24 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 -26  36 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)
       1.0 133  54 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)
       1.0 133  36 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)
       1.0 124  26 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)
       1.0 125  22 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)
       1.0 138  32 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)
       1.0 136  26 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)
       1.0 117  40 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LEU  26           H        LEU  26   6.312  -0.665 -14.423
    2    HA   LEU  26           HA       LEU  26   7.454  -1.172 -12.383
    3   1HB   LEU  26          1HB       LEU  26   4.861  -0.248 -11.145
    4   2HB   LEU  26          2HB       LEU  26   6.045  -1.207 -10.283
    5    HG   LEU  26           HG       LEU  26   6.533   1.553 -11.408
    6   1HD1  LEU  26          1HD1      LEU  26   6.127   0.630  -8.565
    7   2HD1  LEU  26          2HD1      LEU  26   4.985   1.576  -9.520
    8   3HD1  LEU  26          3HD1      LEU  26   6.546   2.267  -9.075
    9   1HD2  LEU  26          1HD2      LEU  26   8.616   1.455 -10.132
   10   2HD2  LEU  26          2HD2      LEU  26   8.557   0.191 -11.361
   11   3HD2  LEU  26          3HD2      LEU  26   8.257  -0.209  -9.670
   12    H    ALA  27           H        ALA  27   7.593  -3.251 -12.896
   13    HA   ALA  27           HA       ALA  27   5.192  -4.911 -13.034
   14   1HB   ALA  27          1HB       ALA  27   6.716  -6.700 -13.716
   15   2HB   ALA  27          2HB       ALA  27   8.099  -5.651 -13.402
   16   3HB   ALA  27          3HB       ALA  27   6.969  -5.257 -14.698
   17    H    PHE  28           H        PHE  28   6.949  -3.618 -10.706
   18    HA   PHE  28           HA       PHE  28   6.084  -5.523  -8.724
   19   1HB   PHE  28          1HB       PHE  28   8.301  -6.410  -9.239
   20   2HB   PHE  28          2HB       PHE  28   9.015  -4.813  -9.071
   21    HD1  PHE  28           HD1      PHE  28   9.818  -4.084  -7.013
   22    HD2  PHE  28           HD2      PHE  28   7.237  -7.462  -7.178
   23    HE1  PHE  28           HE1      PHE  28  10.246  -4.522  -4.630
   24    HE2  PHE  28           HE2      PHE  28   7.659  -7.907  -4.795
   25    HZ   PHE  28           HZ       PHE  28   9.163  -6.433  -3.518
   26    H    GLY  29           H        GLY  29   5.632  -4.461  -6.797
   27   1HA   GLY  29          1HA       GLY  29   6.006  -2.667  -5.240
   28   2HA   GLY  29          2HA       GLY  29   6.522  -1.658  -6.582
   29    H    ALA  30           H        ALA  30   4.042  -2.964  -7.994
   30    HA   ALA  30           HA       ALA  30   2.317  -0.740  -7.212
   31   1HB   ALA  30          1HB       ALA  30   2.879  -0.938  -9.566
   32   2HB   ALA  30          2HB       ALA  30   1.149  -1.176  -9.318
   33   3HB   ALA  30          3HB       ALA  30   2.199  -2.563  -9.607
   34    H    ILE  31           H        ILE  31   1.075  -1.313  -5.504
   35    HA   ILE  31           HA       ILE  31  -0.605  -3.695  -5.891
   36    HB   ILE  31           HB       ILE  31   0.750  -4.094  -4.271
   37   1HG1  ILE  31          1HG1      ILE  31  -1.770  -4.461  -4.020
   38   2HG1  ILE  31          2HG1      ILE  31  -0.668  -4.862  -2.723
   39   1HG2  ILE  31          1HG2      ILE  31   1.561  -1.892  -3.709
   40   2HG2  ILE  31          2HG2      ILE  31   1.005  -2.725  -2.258
   41   3HG2  ILE  31          3HG2      ILE  31  -0.002  -1.483  -3.001
   42   1HD1  ILE  31          1HD1      ILE  31  -1.234  -2.760  -1.597
   43   2HD1  ILE  31          2HD1      ILE  31  -2.657  -3.768  -1.858
   44   3HD1  ILE  31          3HD1      ILE  31  -2.362  -2.372  -2.895
   45    H    GLN  32           H        GLN  32  -2.747  -3.529  -5.568
   46    HA   GLN  32           HA       GLN  32  -3.749  -0.800  -5.111
   47   1HB   GLN  32          1HB       GLN  32  -5.144  -0.955  -6.871
   48   2HB   GLN  32          2HB       GLN  32  -4.073  -2.235  -7.400
   49   1HG   GLN  32          1HG       GLN  32  -6.076  -3.253  -7.674
   50   2HG   GLN  32          2HG       GLN  32  -5.733  -3.742  -6.012
   51   1HE2  GLN  32          1HE2      GLN  32  -7.684  -1.746  -8.086
   52   2HE2  GLN  32          2HE2      GLN  32  -8.844  -1.288  -6.886
   53    H    LEU  33           H        LEU  33  -5.037  -0.492  -3.441
   54    HA   LEU  33           HA       LEU  33  -6.330  -2.854  -2.250
   55   1HB   LEU  33          1HB       LEU  33  -5.832  -1.993  -0.007
   56   2HB   LEU  33          2HB       LEU  33  -4.396  -2.433  -0.901
   57    HG   LEU  33           HG       LEU  33  -4.252   0.112  -1.453
   58   1HD1  LEU  33          1HD1      LEU  33  -5.135   1.556   0.291
   59   2HD1  LEU  33          2HD1      LEU  33  -5.928   0.178   1.052
   60   3HD1  LEU  33          3HD1      LEU  33  -6.441   0.717  -0.546
   61   1HD2  LEU  33          1HD2      LEU  33  -3.663  -0.962   1.300
   62   2HD2  LEU  33          2HD2      LEU  33  -2.941   0.476   0.578
   63   3HD2  LEU  33          3HD2      LEU  33  -2.630  -1.114  -0.121
   64    H    ASP  34           H        ASP  34  -8.136  -2.379  -0.904
   65    HA   ASP  34           HA       ASP  34  -9.748  -0.290  -2.109
   66   1HB   ASP  34          1HB       ASP  34 -11.400  -1.758  -1.777
   67   2HB   ASP  34          2HB       ASP  34 -10.224  -2.868  -1.088
   68    H    GLY  35           H        GLY  35 -10.929   1.252  -0.912
   69   1HA   GLY  35          1HA       GLY  35  -9.244   2.488   1.077
   70   2HA   GLY  35          2HA       GLY  35 -10.687   3.177   0.353
   71    H    ASP  36           H        ASP  36 -10.596   0.043   1.852
   72    HA   ASP  36           HA       ASP  36 -12.090   1.113   4.150
   73   1HB   ASP  36          1HB       ASP  36 -13.524  -0.051   2.460
   74   2HB   ASP  36          2HB       ASP  36 -12.603  -1.519   2.763
   75    H    GLY  37           H        GLY  37  -9.832  -1.277   2.875
   76   1HA   GLY  37          1HA       GLY  37  -7.896  -1.196   4.607
   77   2HA   GLY  37          2HA       GLY  37  -9.093  -1.938   5.649
   78    H    ASN  38           H        ASN  38  -9.403  -3.008   2.417
   79    HA   ASN  38           HA       ASN  38  -7.781  -5.361   3.123
   80   1HB   ASN  38          1HB       ASN  38  -9.395  -6.708   1.707
   81   2HB   ASN  38          2HB       ASN  38 -10.001  -6.136   3.254
   82   1HD2  ASN  38          1HD2      ASN  38 -11.600  -4.601   3.305
   83   2HD2  ASN  38          2HD2      ASN  38 -12.528  -4.161   1.913
   84    H    ILE  39           H        ILE  39  -6.445  -6.258   1.655
   85    HA   ILE  39           HA       ILE  39  -5.693  -4.657  -0.602
   86    HB   ILE  39           HB       ILE  39  -4.991  -7.338   0.144
   87   1HG1  ILE  39          1HG1      ILE  39  -4.559  -5.838   1.978
   88   2HG1  ILE  39          2HG1      ILE  39  -3.051  -6.302   1.204
   89   1HG2  ILE  39          1HG2      ILE  39  -3.650  -5.290  -1.628
   90   2HG2  ILE  39          2HG2      ILE  39  -4.416  -6.785  -2.165
   91   3HG2  ILE  39          3HG2      ILE  39  -2.965  -6.850  -1.165
   92   1HD1  ILE  39          1HD1      ILE  39  -3.075  -3.942   1.815
   93   2HD1  ILE  39          2HD1      ILE  39  -4.491  -3.692   0.792
   94   3HD1  ILE  39          3HD1      ILE  39  -2.953  -4.160   0.069
   95    H    LEU  40           H        LEU  40  -6.081  -5.070  -2.766
   96    HA   LEU  40           HA       LEU  40  -8.055  -7.187  -3.273
   97   1HB   LEU  40          1HB       LEU  40  -8.795  -4.883  -3.735
   98   2HB   LEU  40          2HB       LEU  40  -7.486  -4.700  -4.886
   99    HG   LEU  40           HG       LEU  40  -8.476  -6.488  -6.277
  100   1HD1  LEU  40          1HD1      LEU  40 -10.773  -7.228  -5.789
  101   2HD1  LEU  40          2HD1      LEU  40 -10.692  -6.396  -4.235
  102   3HD1  LEU  40          3HD1      LEU  40  -9.619  -7.757  -4.565
  103   1HD2  LEU  40          1HD2      LEU  40  -9.015  -4.153  -6.729
  104   2HD2  LEU  40          2HD2      LEU  40 -10.364  -4.237  -5.595
  105   3HD2  LEU  40          3HD2      LEU  40 -10.394  -5.198  -7.072
  106    H    GLN  41           H        GLN  41  -5.240  -5.594  -4.817
  107    HA   GLN  41           HA       GLN  41  -4.438  -8.161  -5.910
  108   1HB   GLN  41          1HB       GLN  41  -6.106  -7.408  -7.541
  109   2HB   GLN  41          2HB       GLN  41  -5.235  -5.895  -7.745
  110   1HG   GLN  41          1HG       GLN  41  -4.767  -7.340  -9.598
  111   2HG   GLN  41          2HG       GLN  41  -3.310  -7.153  -8.630
  112   1HE2  GLN  41          1HE2      GLN  41  -4.025  -9.232 -10.522
  113   2HE2  GLN  41          2HE2      GLN  41  -3.947 -10.728  -9.654
  114    H    TYR  42           H        TYR  42  -2.318  -8.275  -6.512
  115    HA   TYR  42           HA       TYR  42  -0.711  -5.822  -6.209
  116   1HB   TYR  42          1HB       TYR  42  -0.375  -7.576  -4.419
  117   2HB   TYR  42          2HB       TYR  42   0.228  -8.651  -5.674
  118    HD1  TYR  42           HD1      TYR  42   2.397  -8.282  -6.692
  119    HD2  TYR  42           HD2      TYR  42   0.946  -5.666  -3.672
  120    HE1  TYR  42           HE1      TYR  42   4.658  -7.362  -6.412
  121    HE2  TYR  42           HE2      TYR  42   3.206  -4.742  -3.384
  122    HH   TYR  42           HH       TYR  42   5.715  -5.291  -5.578
  123    H    ASN  43           H        ASN  43   0.372  -5.216  -7.970
  124    HA   ASN  43           HA       ASN  43   0.219  -6.887 -10.336
  125   1HB   ASN  43          1HB       ASN  43   1.243  -4.063  -9.961
  126   2HB   ASN  43          2HB       ASN  43   1.115  -4.890 -11.511
  127   1HD2  ASN  43          1HD2      ASN  43  -0.630  -3.433  -8.885
  128   2HD2  ASN  43          2HD2      ASN  43  -2.149  -3.310  -9.701
  129    H    ALA  44           H        ALA  44   1.645  -8.473 -10.186
  130    HA   ALA  44           HA       ALA  44   4.296  -8.177 -10.905
  131   1HB   ALA  44          1HB       ALA  44   4.679  -7.210  -8.682
  132   2HB   ALA  44          2HB       ALA  44   5.524  -8.747  -8.871
  133   3HB   ALA  44          3HB       ALA  44   4.029  -8.671  -7.937
  134    H    ALA  45           H        ALA  45   1.874  -9.988  -9.181
  135    HA   ALA  45           HA       ALA  45   3.133 -12.537  -9.607
  136   1HB   ALA  45          1HB       ALA  45   1.714 -12.164  -7.656
  137   2HB   ALA  45          2HB       ALA  45   1.087 -13.474  -8.657
  138   3HB   ALA  45          3HB       ALA  45   0.329 -11.882  -8.710
  139    H    GLU  46           H        GLU  46   3.439 -12.634 -11.806
  140    HA   GLU  46           HA       GLU  46   1.124 -13.622 -13.261
  141   1HB   GLU  46          1HB       GLU  46   1.965 -12.309 -15.315
  142   2HB   GLU  46          2HB       GLU  46   1.033 -11.438 -14.108
  143   1HG   GLU  46          1HG       GLU  46   3.146 -10.589 -13.147
  144   2HG   GLU  46          2HG       GLU  46   4.024 -11.399 -14.444
  145    H    GLY  47           H        GLY  47   3.099 -14.973 -12.029
  146   1HA   GLY  47          1HA       GLY  47   4.131 -16.742 -13.856
  147   2HA   GLY  47          2HA       GLY  47   5.373 -15.507 -13.667
  148    H    ASP  48           H        ASP  48   3.748 -18.173 -12.214
  149    HA   ASP  48           HA       ASP  48   4.797 -17.698  -9.570
  150   1HB   ASP  48          1HB       ASP  48   3.285 -20.016 -10.778
  151   2HB   ASP  48          2HB       ASP  48   3.858 -20.009  -9.113
  152    H    ILE  49           H        ILE  49   6.982 -17.604  -9.868
  153    HA   ILE  49           HA       ILE  49   8.293 -20.095 -10.721
  154    HB   ILE  49           HB       ILE  49  10.172 -18.784 -11.048
  155   1HG1  ILE  49          1HG1      ILE  49   8.242 -16.485 -10.714
  156   2HG1  ILE  49          2HG1      ILE  49   9.542 -16.888  -9.595
  157   1HG2  ILE  49          1HG2      ILE  49   9.330 -17.886 -13.169
  158   2HG2  ILE  49          2HG2      ILE  49   7.677 -18.114 -12.597
  159   3HG2  ILE  49          3HG2      ILE  49   8.722 -19.513 -12.854
  160   1HD1  ILE  49          1HD1      ILE  49   9.869 -16.055 -12.466
  161   2HD1  ILE  49          2HD1      ILE  49  11.178 -16.462 -11.357
  162   3HD1  ILE  49          3HD1      ILE  49  10.165 -15.052 -11.046
  163    H    THR  50           H        THR  50   7.302 -19.258  -8.029
  164    HA   THR  50           HA       THR  50   9.806 -19.795  -6.598
  165    HB   THR  50           HB       THR  50   7.751 -18.105  -5.534
  166    HG1  THR  50           HG1      THR  50   9.663 -17.586  -7.499
  167   1HG2  THR  50          1HG2      THR  50   9.645 -17.308  -4.206
  168   2HG2  THR  50          2HG2      THR  50  10.696 -18.471  -5.017
  169   3HG2  THR  50          3HG2      THR  50   9.378 -19.039  -3.991
  170    H    GLY  51           H        GLY  51   9.473 -20.878  -4.534
  171   1HA   GLY  51          1HA       GLY  51   6.829 -22.191  -4.350
  172   2HA   GLY  51          2HA       GLY  51   8.343 -22.918  -3.821
  173    H    ARG  52           H        ARG  52   6.983 -19.697  -3.289
  174    HA   ARG  52           HA       ARG  52   7.666 -19.849  -0.479
  175   1HB   ARG  52          1HB       ARG  52   6.572 -17.698  -2.269
  176   2HB   ARG  52          2HB       ARG  52   6.552 -17.506  -0.522
  177   1HG   ARG  52          1HG       ARG  52   8.986 -17.767  -0.478
  178   2HG   ARG  52          2HG       ARG  52   8.989 -17.925  -2.237
  179   1HD   ARG  52          1HD       ARG  52   8.179 -15.703  -2.514
  180   2HD   ARG  52          2HD       ARG  52   7.863 -15.538  -0.789
  181    HE   ARG  52           HE       ARG  52  10.597 -16.079  -1.195
  182   1HH1  ARG  52          1HH1      ARG  52   8.268 -13.531  -1.787
  183   2HH1  ARG  52          2HH1      ARG  52   9.407 -12.244  -1.526
  184   1HH2  ARG  52          1HH2      ARG  52  12.110 -14.401  -0.870
  185   2HH2  ARG  52          2HH2      ARG  52  11.607 -12.743  -1.029
  186    H    ASP  53           H        ASP  53   6.011 -18.986   1.105
  187    HA   ASP  53           HA       ASP  53   3.432 -20.271   0.703
  188   1HB   ASP  53          1HB       ASP  53   4.511 -20.449   2.909
  189   2HB   ASP  53          2HB       ASP  53   4.510 -18.695   3.058
  190    HA   PRO  54           HA       PRO  54   2.178 -16.443  -1.178
  191   1HB   PRO  54          1HB       PRO  54  -0.359 -17.771  -1.717
  192   2HB   PRO  54          2HB       PRO  54   0.903 -17.276  -2.848
  193   1HG   PRO  54          1HG       PRO  54   0.366 -19.872  -2.299
  194   2HG   PRO  54          2HG       PRO  54   1.991 -19.297  -2.717
  195   1HD   PRO  54          1HD       PRO  54   0.836 -19.905  -0.016
  196   2HD   PRO  54          2HD       PRO  54   2.434 -20.320  -0.674
  197    H    LYS  55           H        LYS  55   1.421 -17.219   1.776
  198    HA   LYS  55           HA       LYS  55  -1.013 -15.595   1.982
  199   1HB   LYS  55          1HB       LYS  55   0.460 -17.128   4.135
  200   2HB   LYS  55          2HB       LYS  55  -1.107 -16.351   4.304
  201   1HG   LYS  55          1HG       LYS  55  -2.087 -17.900   2.727
  202   2HG   LYS  55          2HG       LYS  55  -0.510 -18.644   2.447
  203   1HD   LYS  55          1HD       LYS  55  -0.430 -19.273   4.842
  204   2HD   LYS  55          2HD       LYS  55  -2.056 -18.614   5.039
  205   1HE   LYS  55          1HE       LYS  55  -2.925 -20.225   3.452
  206   2HE   LYS  55          2HE       LYS  55  -1.303 -20.848   3.159
  207   1HZ   LYS  55          1HZ       LYS  55  -2.753 -20.947   5.752
  208   2HZ   LYS  55          2HZ       LYS  55  -1.194 -21.555   5.469
  209   3HZ   LYS  55          3HZ       LYS  55  -2.531 -22.252   4.691
  210    H    GLN  56           H        GLN  56   1.478 -14.455   1.203
  211    HA   GLN  56           HA       GLN  56   2.382 -12.962   3.549
  212   1HB   GLN  56          1HB       GLN  56   4.082 -13.978   2.075
  213   2HB   GLN  56          2HB       GLN  56   3.479 -13.018   0.733
  214   1HG   GLN  56          1HG       GLN  56   5.512 -12.073   1.681
  215   2HG   GLN  56          2HG       GLN  56   4.142 -10.978   1.855
  216   1HE2  GLN  56          1HE2      GLN  56   5.165  -9.887   3.533
  217   2HE2  GLN  56          2HE2      GLN  56   5.295 -10.561   5.122
  218    H    VAL  57           H        VAL  57   1.148 -12.404   0.268
  219    HA   VAL  57           HA       VAL  57   0.299  -9.729   1.143
  220    HB   VAL  57           HB       VAL  57   0.501  -9.056  -1.069
  221   1HG1  VAL  57          1HG1      VAL  57   2.983  -9.977   0.370
  222   2HG1  VAL  57          2HG1      VAL  57   2.125  -8.460   0.635
  223   3HG1  VAL  57          3HG1      VAL  57   2.936  -8.757  -0.902
  224   1HG2  VAL  57          1HG2      VAL  57   0.522 -11.251  -2.153
  225   2HG2  VAL  57          2HG2      VAL  57   2.082 -11.589  -1.402
  226   3HG2  VAL  57          3HG2      VAL  57   1.932 -10.280  -2.575
  227    H    ILE  58           H        ILE  58  -1.375  -8.821  -0.383
  228    HA   ILE  58           HA       ILE  58  -3.533  -8.785  -0.985
  229    HB   ILE  58           HB       ILE  58  -4.183  -9.947  -2.705
  230   1HG1  ILE  58          1HG1      ILE  58  -1.805 -11.762  -2.320
  231   2HG1  ILE  58          2HG1      ILE  58  -3.490 -12.214  -2.087
  232   1HG2  ILE  58          1HG2      ILE  58  -2.602  -8.159  -3.040
  233   2HG2  ILE  58          2HG2      ILE  58  -2.331  -9.438  -4.222
  234   3HG2  ILE  58          3HG2      ILE  58  -1.254  -9.275  -2.834
  235   1HD1  ILE  58          1HD1      ILE  58  -2.631 -13.007  -4.218
  236   2HD1  ILE  58          2HD1      ILE  58  -2.246 -11.350  -4.689
  237   3HD1  ILE  58          3HD1      ILE  58  -3.925 -11.833  -4.447
  238    H    GLY  59           H        GLY  59  -5.599  -9.916  -1.293
  239   1HA   GLY  59          1HA       GLY  59  -7.342 -11.030  -0.281
  240   2HA   GLY  59          2HA       GLY  59  -6.203 -12.347  -0.020
  241    H    LYS  60           H        LYS  60  -6.145  -9.043   1.205
  242    HA   LYS  60           HA       LYS  60  -5.715 -10.151   3.876
  243   1HB   LYS  60          1HB       LYS  60  -3.818  -8.924   3.097
  244   2HB   LYS  60          2HB       LYS  60  -4.833  -7.593   2.552
  245   1HG   LYS  60          1HG       LYS  60  -3.519  -7.165   4.644
  246   2HG   LYS  60          2HG       LYS  60  -5.254  -6.888   4.777
  247   1HD   LYS  60          1HD       LYS  60  -4.402  -8.030   6.751
  248   2HD   LYS  60          2HD       LYS  60  -5.514  -9.069   5.860
  249   1HE   LYS  60          1HE       LYS  60  -3.569 -10.193   4.828
  250   2HE   LYS  60          2HE       LYS  60  -2.502  -9.198   5.822
  251   1HZ   LYS  60          1HZ       LYS  60  -3.380 -10.183   7.792
  252   2HZ   LYS  60          2HZ       LYS  60  -2.951 -11.444   6.740
  253   3HZ   LYS  60          3HZ       LYS  60  -4.578 -11.010   6.924
  254    H    ASN  61           H        ASN  61  -7.698 -10.253   4.755
  255    HA   ASN  61           HA       ASN  61  -9.341  -7.830   4.872
  256   1HB   ASN  61          1HB       ASN  61  -9.717 -10.632   5.890
  257   2HB   ASN  61          2HB       ASN  61 -10.830  -9.332   6.285
  258   1HD2  ASN  61          1HD2      ASN  61  -9.299  -9.551   3.160
  259   2HD2  ASN  61          2HD2      ASN  61 -10.712 -10.026   2.280
  260    H    PHE  62           H        PHE  62  -8.665  -6.378   6.350
  261    HA   PHE  62           HA       PHE  62  -7.114  -7.346   8.604
  262   1HB   PHE  62          1HB       PHE  62  -6.335  -5.449   7.205
  263   2HB   PHE  62          2HB       PHE  62  -7.682  -4.492   7.812
  264    HD1  PHE  62           HD1      PHE  62  -7.405  -3.214   9.719
  265    HD2  PHE  62           HD2      PHE  62  -4.757  -6.468   9.006
  266    HE1  PHE  62           HE1      PHE  62  -6.059  -2.535  11.662
  267    HE2  PHE  62           HE2      PHE  62  -3.408  -5.801  10.954
  268    HZ   PHE  62           HZ       PHE  62  -4.048  -3.846  12.281
  269    H    PHE  63           H        PHE  63  -8.481  -8.212  10.011
  270    HA   PHE  63           HA       PHE  63 -10.885  -6.914  10.880
  271   1HB   PHE  63          1HB       PHE  63 -10.768  -8.790  12.658
  272   2HB   PHE  63          2HB       PHE  63 -11.002  -9.258  10.978
  273    HD1  PHE  63           HD1      PHE  63  -8.694  -9.260  13.808
  274    HD2  PHE  63           HD2      PHE  63  -9.233 -10.383   9.736
  275    HE1  PHE  63           HE1      PHE  63  -6.724 -10.729  13.955
  276    HE2  PHE  63           HE2      PHE  63  -7.270 -11.857   9.883
  277    HZ   PHE  63           HZ       PHE  63  -6.003 -12.020  11.950
  278    H    LYS  64           H        LYS  64 -11.261  -6.194  13.077
  279    HA   LYS  64           HA       LYS  64  -9.083  -4.598  14.023
  280   1HB   LYS  64          1HB       LYS  64 -10.728  -3.882  15.801
  281   2HB   LYS  64          2HB       LYS  64 -11.196  -3.555  14.140
  282   1HG   LYS  64          1HG       LYS  64 -12.707  -5.444  14.157
  283   2HG   LYS  64          2HG       LYS  64 -12.185  -5.876  15.787
  284   1HD   LYS  64          1HD       LYS  64 -13.475  -3.247  15.053
  285   2HD   LYS  64          2HD       LYS  64 -14.350  -4.636  15.702
  286   1HE   LYS  64          1HE       LYS  64 -13.032  -4.559  17.733
  287   2HE   LYS  64          2HE       LYS  64 -12.055  -3.245  17.079
  288   1HZ   LYS  64          1HZ       LYS  64 -14.979  -3.075  17.567
  289   2HZ   LYS  64          2HZ       LYS  64 -13.949  -1.806  17.109
  290   3HZ   LYS  64          3HZ       LYS  64 -13.797  -2.510  18.642
  291    H    ASP  65           H        ASP  65  -7.690  -6.435  14.417
  292    HA   ASP  65           HA       ASP  65  -8.201  -8.028  16.786
  293   1HB   ASP  65          1HB       ASP  65  -7.040  -8.945  14.773
  294   2HB   ASP  65          2HB       ASP  65  -5.703  -7.845  15.081
  295    H    VAL  66           H        VAL  66  -7.497  -4.952  16.434
  296    HA   VAL  66           HA       VAL  66  -6.478  -3.300  17.595
  297    HB   VAL  66           HB       VAL  66  -6.100  -5.279  19.646
  298   1HG1  VAL  66          1HG1      VAL  66  -6.413  -2.277  19.628
  299   2HG1  VAL  66          2HG1      VAL  66  -4.926  -3.164  19.962
  300   3HG1  VAL  66          3HG1      VAL  66  -6.293  -3.286  21.070
  301   1HG2  VAL  66          1HG2      VAL  66  -8.516  -3.605  19.012
  302   2HG2  VAL  66          2HG2      VAL  66  -8.287  -4.583  20.461
  303   3HG2  VAL  66          3HG2      VAL  66  -8.404  -5.360  18.880
  304    H    ALA  67           H        ALA  67  -4.829  -3.794  15.919
  305    HA   ALA  67           HA       ALA  67  -2.246  -4.141  17.237
  306   1HB   ALA  67          1HB       ALA  67  -3.008  -5.501  14.651
  307   2HB   ALA  67          2HB       ALA  67  -2.724  -6.294  16.200
  308   3HB   ALA  67          3HB       ALA  67  -1.397  -5.484  15.369
  309    HA   PRO  68           HA       PRO  68  -2.205  -0.480  14.496
  310   1HB   PRO  68          1HB       PRO  68  -1.480   1.352  16.298
  311   2HB   PRO  68          2HB       PRO  68  -3.144   0.765  16.210
  312   1HG   PRO  68          1HG       PRO  68  -0.992   0.080  18.154
  313   2HG   PRO  68          2HG       PRO  68  -2.734   0.260  18.423
  314   1HD   PRO  68          1HD       PRO  68  -1.361  -2.160  18.079
  315   2HD   PRO  68          2HD       PRO  68  -3.117  -1.933  17.967
  316    H    CYS  69           H        CYS  69   0.064  -2.365  15.968
  317    HA   CYS  69           HA       CYS  69   2.275  -0.666  15.030
  318   1HB   CYS  69          1HB       CYS  69   2.337  -2.869  17.096
  319   2HB   CYS  69          2HB       CYS  69   3.737  -1.962  16.537
  320    H    THR  70           H        THR  70   1.940  -1.422  12.872
  321    HA   THR  70           HA       THR  70   3.484  -3.901  12.493
  322    HB   THR  70           HB       THR  70   1.628  -2.859  10.575
  323    HG1  THR  70           HG1      THR  70   1.092  -3.916  13.007
  324   1HG2  THR  70          1HG2      THR  70   3.302  -4.462   9.826
  325   2HG2  THR  70          2HG2      THR  70   1.699  -5.195   9.854
  326   3HG2  THR  70          3HG2      THR  70   2.856  -5.555  11.137
  327    H    ASP  71           H        ASP  71   4.912  -1.822  12.858
  328    HA   ASP  71           HA       ASP  71   6.572  -0.524  12.046
  329   1HB   ASP  71          1HB       ASP  71   5.944  -2.011   9.500
  330   2HB   ASP  71          2HB       ASP  71   7.245  -0.830   9.620
  331    H    SER  72           H        SER  72   3.536   0.152  11.618
  332    HA   SER  72           HA       SER  72   4.132   2.710  10.385
  333   1HB   SER  72          1HB       SER  72   3.418   1.154   8.539
  334   2HB   SER  72          2HB       SER  72   1.856   1.011   9.341
  335    HG   SER  72           HG       SER  72   2.339   3.588   9.132
  336    HA   PRO  73           HA       PRO  73   1.320   3.216  14.057
  337   1HB   PRO  73          1HB       PRO  73   2.837   5.768  14.053
  338   2HB   PRO  73          2HB       PRO  73   2.462   4.687  15.399
  339   1HG   PRO  73          1HG       PRO  73   4.931   4.816  14.391
  340   2HG   PRO  73          2HG       PRO  73   4.241   3.275  14.935
  341   1HD   PRO  73          1HD       PRO  73   4.578   4.330  12.153
  342   2HD   PRO  73          2HD       PRO  73   4.804   2.678  12.767
  343    H    GLU  74           H        GLU  74   2.458   5.894  11.995
  344    HA   GLU  74           HA       GLU  74  -0.304   6.524  11.284
  345   1HB   GLU  74          1HB       GLU  74   2.336   7.846  10.653
  346   2HB   GLU  74          2HB       GLU  74   0.831   8.323   9.876
  347   1HG   GLU  74          1HG       GLU  74  -0.101   8.782  12.139
  348   2HG   GLU  74          2HG       GLU  74   1.505   8.479  12.802
  349    H    PHE  75           H        PHE  75  -1.208   5.620   9.575
  350    HA   PHE  75           HA       PHE  75   0.159   3.640   8.106
  351   1HB   PHE  75          1HB       PHE  75  -2.545   4.900   7.600
  352   2HB   PHE  75          2HB       PHE  75  -1.946   3.441   6.818
  353    HD1  PHE  75           HD1      PHE  75  -1.577   1.392   8.148
  354    HD2  PHE  75           HD2      PHE  75  -3.437   4.847   9.794
  355    HE1  PHE  75           HE1      PHE  75  -2.457   0.031  10.001
  356    HE2  PHE  75           HE2      PHE  75  -4.319   3.494  11.651
  357    HZ   PHE  75           HZ       PHE  75  -3.829   1.085  11.757
  358    H    TYR  76           H        TYR  76   1.566   3.952   6.566
  359    HA   TYR  76           HA       TYR  76   2.634   4.707   4.723
  360   1HB   TYR  76          1HB       TYR  76  -0.224   5.142   3.840
  361   2HB   TYR  76          2HB       TYR  76   1.167   5.192   2.759
  362    HD1  TYR  76           HD1      TYR  76   2.401   3.134   2.225
  363    HD2  TYR  76           HD2      TYR  76  -1.067   3.046   4.693
  364    HE1  TYR  76           HE1      TYR  76   2.247   0.698   1.915
  365    HE2  TYR  76           HE2      TYR  76  -1.226   0.611   4.394
  366    HH   TYR  76           HH       TYR  76   1.299  -1.249   2.985
  367    H    GLY  77           H        GLY  77   0.459   6.968   3.471
  368   1HA   GLY  77          1HA       GLY  77   2.051   9.163   4.652
  369   2HA   GLY  77          2HA       GLY  77   1.609   9.124   2.948
  370    H    LYS  78           H        LYS  78   0.307   9.250   6.218
  371    HA   LYS  78           HA       LYS  78  -1.620  10.044   7.096
  372   1HB   LYS  78          1HB       LYS  78  -1.488  11.769   4.621
  373   2HB   LYS  78          2HB       LYS  78  -2.733  11.956   5.849
  374   1HG   LYS  78          1HG       LYS  78  -1.051  12.450   7.522
  375   2HG   LYS  78          2HG       LYS  78   0.230  12.196   6.333
  376   1HD   LYS  78          1HD       LYS  78  -0.566  14.074   5.025
  377   2HD   LYS  78          2HD       LYS  78  -1.936  14.288   6.118
  378   1HE   LYS  78          1HE       LYS  78   0.951  14.506   6.954
  379   2HE   LYS  78          2HE       LYS  78  -0.046  15.883   6.488
  380   1HZ   LYS  78          1HZ       LYS  78  -1.529  15.418   8.313
  381   2HZ   LYS  78          2HZ       LYS  78   0.055  15.558   8.903
  382   3HZ   LYS  78          3HZ       LYS  78  -0.649  14.029   8.735
  383    H    PHE  79           H        PHE  79  -1.677   7.685   5.492
  384    HA   PHE  79           HA       PHE  79  -3.645   7.455   3.582
  385   1HB   PHE  79          1HB       PHE  79  -2.090   5.655   4.211
  386   2HB   PHE  79          2HB       PHE  79  -2.939   5.451   5.736
  387    HD1  PHE  79           HD1      PHE  79  -5.051   4.317   5.838
  388    HD2  PHE  79           HD2      PHE  79  -3.076   4.903   2.114
  389    HE1  PHE  79           HE1      PHE  79  -6.559   2.686   4.785
  390    HE2  PHE  79           HE2      PHE  79  -4.580   3.270   1.055
  391    HZ   PHE  79           HZ       PHE  79  -6.274   2.116   2.386
  392    H    LYS  80           H        LYS  80  -4.014   7.782   7.044
  393    HA   LYS  80           HA       LYS  80  -6.692   6.794   7.206
  394   1HB   LYS  80          1HB       LYS  80  -4.751   7.371   9.046
  395   2HB   LYS  80          2HB       LYS  80  -5.828   8.744   9.246
  396   1HG   LYS  80          1HG       LYS  80  -6.646   5.851   9.436
  397   2HG   LYS  80          2HG       LYS  80  -6.331   6.919  10.803
  398   1HD   LYS  80          1HD       LYS  80  -8.167   8.364  10.107
  399   2HD   LYS  80          2HD       LYS  80  -8.466   7.327   8.710
  400   1HE   LYS  80          1HE       LYS  80  -8.939   5.454  10.233
  401   2HE   LYS  80          2HE       LYS  80  -8.694   6.529  11.609
  402   1HZ   LYS  80          1HZ       LYS  80 -11.039   6.266  11.080
  403   2HZ   LYS  80          2HZ       LYS  80 -10.777   6.857   9.515
  404   3HZ   LYS  80          3HZ       LYS  80 -10.550   7.875  10.851
  405    H    GLU  81           H        GLU  81  -5.195   9.906   6.691
  406    HA   GLU  81           HA       GLU  81  -7.710  11.344   6.697
  407   1HB   GLU  81          1HB       GLU  81  -5.631  12.418   7.495
  408   2HB   GLU  81          2HB       GLU  81  -4.917  12.215   5.903
  409   1HG   GLU  81          1HG       GLU  81  -6.644  13.680   4.959
  410   2HG   GLU  81          2HG       GLU  81  -7.312  13.906   6.575
  411    H    GLY  82           H        GLY  82  -5.491   9.867   4.482
  412   1HA   GLY  82          1HA       GLY  82  -6.116  10.989   2.069
  413   2HA   GLY  82          2HA       GLY  82  -5.591   9.345   2.300
  414    H    VAL  83           H        VAL  83  -7.656   8.417   3.827
  415    HA   VAL  83           HA       VAL  83  -9.470   7.599   1.815
  416    HB   VAL  83           HB       VAL  83  -9.640   7.501   4.680
  417   1HG1  VAL  83          1HG1      VAL  83 -11.819   7.159   3.628
  418   2HG1  VAL  83          2HG1      VAL  83 -11.181   5.632   4.238
  419   3HG1  VAL  83          3HG1      VAL  83 -11.110   5.991   2.512
  420   1HG2  VAL  83          1HG2      VAL  83  -8.605   5.531   2.657
  421   2HG2  VAL  83          2HG2      VAL  83  -8.744   5.273   4.398
  422   3HG2  VAL  83          3HG2      VAL  83  -7.621   6.480   3.771
  423    H    ALA  84           H        ALA  84  -9.878   9.756   4.626
  424    HA   ALA  84           HA       ALA  84 -12.658  10.117   3.941
  425   1HB   ALA  84          1HB       ALA  84 -12.837  11.325   6.040
  426   2HB   ALA  84          2HB       ALA  84 -11.083  11.306   6.216
  427   3HB   ALA  84          3HB       ALA  84 -11.990   9.797   6.286
  428    H    SER  85           H        SER  85  -9.679  11.896   3.723
  429    HA   SER  85           HA       SER  85 -10.852  14.411   3.122
  430   1HB   SER  85          1HB       SER  85  -8.423  14.010   3.712
  431   2HB   SER  85          2HB       SER  85  -8.199  13.377   2.082
  432    HG   SER  85           HG       SER  85  -9.439  15.855   2.247
  433    H    GLY  86           H        GLY  86 -10.303  11.492   1.323
  434   1HA   GLY  86          1HA       GLY  86 -11.397  10.805  -0.591
  435   2HA   GLY  86          2HA       GLY  86 -12.141  12.393  -0.696
  436    H    ASN  87           H        ASN  87  -8.696  11.965  -0.444
  437    HA   ASN  87           HA       ASN  87  -8.271  12.121  -3.280
  438   1HB   ASN  87          1HB       ASN  87  -7.038  14.281  -3.237
  439   2HB   ASN  87          2HB       ASN  87  -8.759  14.458  -2.924
  440   1HD2  ASN  87          1HD2      ASN  87  -9.448  15.096  -0.901
  441   2HD2  ASN  87          2HD2      ASN  87  -8.373  15.732   0.297
  442    H    LEU  88           H        LEU  88  -7.475  10.201  -1.661
  443    HA   LEU  88           HA       LEU  88  -4.832  10.582  -0.685
  444   1HB   LEU  88          1HB       LEU  88  -6.731   8.728  -0.242
  445   2HB   LEU  88          2HB       LEU  88  -5.707   7.860  -1.375
  446    HG   LEU  88           HG       LEU  88  -4.750   9.187   1.105
  447   1HD1  LEU  88          1HD1      LEU  88  -5.383   6.280   0.614
  448   2HD1  LEU  88          2HD1      LEU  88  -6.246   7.372   1.698
  449   3HD1  LEU  88          3HD1      LEU  88  -4.580   6.909   2.054
  450   1HD2  LEU  88          1HD2      LEU  88  -3.399   7.223  -0.735
  451   2HD2  LEU  88          2HD2      LEU  88  -2.729   7.823   0.782
  452   3HD2  LEU  88          3HD2      LEU  88  -3.007   8.935  -0.559
  453    H    ASN  89           H        ASN  89  -3.943  11.554  -2.623
  454    HA   ASN  89           HA       ASN  89  -2.667   9.450  -4.172
  455   1HB   ASN  89          1HB       ASN  89  -3.121  10.412  -6.311
  456   2HB   ASN  89          2HB       ASN  89  -4.666  10.298  -5.472
  457   1HD2  ASN  89          1HD2      ASN  89  -2.335  12.380  -6.892
  458   2HD2  ASN  89          2HD2      ASN  89  -3.200  13.863  -6.683
  459    H    THR  90           H        THR  90  -0.657   9.730  -3.346
  460    HA   THR  90           HA       THR  90   0.642  12.270  -3.952
  461    HB   THR  90           HB       THR  90   0.989  11.033  -1.390
  462    HG1  THR  90           HG1      THR  90  -1.031  12.765  -2.331
  463   1HG2  THR  90          1HG2      THR  90   1.800  13.272  -0.849
  464   2HG2  THR  90          2HG2      THR  90   1.500  13.784  -2.509
  465   3HG2  THR  90          3HG2      THR  90   2.721  12.557  -2.172
  466    H    MET  91           H        MET  91   2.823  12.080  -4.320
  467    HA   MET  91           HA       MET  91   4.007   9.419  -3.962
  468   1HB   MET  91          1HB       MET  91   5.800  10.307  -5.543
  469   2HB   MET  91          2HB       MET  91   4.227   9.965  -6.245
  470   1HG   MET  91          1HG       MET  91   5.107  12.717  -5.402
  471   2HG   MET  91          2HG       MET  91   5.342  12.072  -7.026
  472   1HE   MET  91          1HE       MET  91   3.789  14.807  -6.387
  473   2HE   MET  91          2HE       MET  91   2.428  14.664  -7.502
  474   3HE   MET  91          3HE       MET  91   4.046  14.180  -8.014
  475    H    PHE  92           H        PHE  92   5.230   9.237  -2.256
  476    HA   PHE  92           HA       PHE  92   6.779  11.564  -1.338
  477   1HB   PHE  92          1HB       PHE  92   4.766  11.362   0.064
  478   2HB   PHE  92          2HB       PHE  92   5.158   9.681   0.401
  479    HD1  PHE  92           HD1      PHE  92   6.203  13.174   0.971
  480    HD2  PHE  92           HD2      PHE  92   6.713   9.098   2.086
  481    HE1  PHE  92           HE1      PHE  92   7.510  13.876   2.934
  482    HE2  PHE  92           HE2      PHE  92   8.021   9.796   4.047
  483    HZ   PHE  92           HZ       PHE  92   8.403  12.198   4.484
  484    H    GLU  93           H        GLU  93   8.871  11.090  -1.066
  485    HA   GLU  93           HA       GLU  93   9.639   8.264  -0.983
  486   1HB   GLU  93          1HB       GLU  93  11.942   9.108  -1.439
  487   2HB   GLU  93          2HB       GLU  93  10.786   9.530  -2.692
  488   1HG   GLU  93          1HG       GLU  93  10.634  11.783  -1.854
  489   2HG   GLU  93          2HG       GLU  93  11.691  11.384  -0.499
  490    H    TYR  94           H        TYR  94  10.450   7.353   0.797
  491    HA   TYR  94           HA       TYR  94  11.013   9.129   3.081
  492   1HB   TYR  94          1HB       TYR  94   8.906   7.705   3.242
  493   2HB   TYR  94          2HB       TYR  94   9.969   6.303   3.290
  494    HD1  TYR  94           HD1      TYR  94  11.554   6.032   5.205
  495    HD2  TYR  94           HD2      TYR  94   8.550   9.044   5.176
  496    HE1  TYR  94           HE1      TYR  94  11.801   6.293   7.638
  497    HE2  TYR  94           HE2      TYR  94   8.787   9.312   7.607
  498    HH   TYR  94           HH       TYR  94   9.565   7.987   9.535
  499    H    THR  95           H        THR  95  13.099   9.131   3.525
  500    HA   THR  95           HA       THR  95  14.753   6.871   2.738
  501    HB   THR  95           HB       THR  95  15.569   9.241   4.118
  502    HG1  THR  95           HG1      THR  95  14.634  10.148   2.397
  503   1HG2  THR  95          1HG2      THR  95  17.624   8.800   2.894
  504   2HG2  THR  95          2HG2      THR  95  16.891   7.375   2.156
  505   3HG2  THR  95          3HG2      THR  95  17.181   7.416   3.895
  506    H    PHE  96           H        PHE  96  15.692   5.474   4.145
  507    HA   PHE  96           HA       PHE  96  15.100   5.871   6.996
  508   1HB   PHE  96          1HB       PHE  96  15.830   3.351   5.487
  509   2HB   PHE  96          2HB       PHE  96  15.562   3.441   7.224
  510    HD1  PHE  96           HD1      PHE  96  13.321   3.827   8.115
  511    HD2  PHE  96           HD2      PHE  96  14.016   3.361   3.948
  512    HE1  PHE  96           HE1      PHE  96  10.922   3.401   7.769
  513    HE2  PHE  96           HE2      PHE  96  11.623   2.933   3.587
  514    HZ   PHE  96           HZ       PHE  96  10.070   2.954   5.501
  515    H    ASP  97           H        ASP  97  16.759   7.146   7.646
  516    HA   ASP  97           HA       ASP  97  19.491   6.366   6.972
  517   1HB   ASP  97          1HB       ASP  97  20.156   8.523   7.906
  518   2HB   ASP  97          2HB       ASP  97  18.869   8.741   6.730
  519    H    TYR  98           H        TYR  98  17.799   4.813   8.785
  520    HA   TYR  98           HA       TYR  98  19.242   5.095  11.318
  521   1HB   TYR  98          1HB       TYR  98  16.790   3.485  10.586
  522   2HB   TYR  98          2HB       TYR  98  17.581   3.408  12.156
  523    HD1  TYR  98           HD1      TYR  98  17.717   5.551  13.530
  524    HD2  TYR  98           HD2      TYR  98  15.207   5.129  10.122
  525    HE1  TYR  98           HE1      TYR  98  16.375   7.468  14.286
  526    HE2  TYR  98           HE2      TYR  98  13.862   7.041  10.870
  527    HH   TYR  98           HH       TYR  98  14.883   9.171  13.279
  528    H    GLN  99           H        GLN  99  19.103   2.466  12.195
  529    HA   GLN  99           HA       GLN  99  21.208   1.307  10.534
  530   1HB   GLN  99          1HB       GLN  99  21.367   1.781  13.085
  531   2HB   GLN  99          2HB       GLN  99  20.408   0.322  13.258
  532   1HG   GLN  99          1HG       GLN  99  22.992   0.363  11.738
  533   2HG   GLN  99          2HG       GLN  99  22.926   0.114  13.480
  534   1HE2  GLN  99          1HE2      GLN  99  22.010  -1.779  14.289
  535   2HE2  GLN  99          2HE2      GLN  99  21.792  -3.182  13.291
  536    H    MET 100           H        MET 100  18.344   0.171  12.347
  537    HA   MET 100           HA       MET 100  18.379  -2.294  10.771
  538   1HB   MET 100          1HB       MET 100  16.876  -1.518  13.276
  539   2HB   MET 100          2HB       MET 100  16.658  -3.052  12.442
  540   1HG   MET 100          1HG       MET 100  19.245  -2.061  13.620
  541   2HG   MET 100          2HG       MET 100  18.159  -3.231  14.367
  542   1HE   MET 100          1HE       MET 100  18.385  -6.256  11.899
  543   2HE   MET 100          2HE       MET 100  17.185  -4.965  11.947
  544   3HE   MET 100          3HE       MET 100  17.757  -5.693  13.448
  545    H    THR 101           H        THR 101  17.495   0.156   9.514
  546    HA   THR 101           HA       THR 101  14.606  -0.257   9.282
  547    HB   THR 101           HB       THR 101  14.853   1.719   7.901
  548    HG1  THR 101           HG1      THR 101  17.075   1.857   7.728
  549   1HG2  THR 101          1HG2      THR 101  13.760   1.589  10.076
  550   2HG2  THR 101          2HG2      THR 101  14.698   3.073   9.916
  551   3HG2  THR 101          3HG2      THR 101  15.326   1.732  10.875
  552    HA   PRO 102           HA       PRO 102  14.881  -1.811   5.097
  553   1HB   PRO 102          1HB       PRO 102  12.709  -0.050   4.224
  554   2HB   PRO 102          2HB       PRO 102  12.728  -1.807   4.383
  555   1HG   PRO 102          1HG       PRO 102  11.306  -0.225   6.041
  556   2HG   PRO 102          2HG       PRO 102  12.033  -1.752   6.575
  557   1HD   PRO 102          1HD       PRO 102  12.996   1.054   6.987
  558   2HD   PRO 102          2HD       PRO 102  12.982  -0.312   8.123
  559    H    THR 103           H        THR 103  14.576  -0.831   2.688
  560    HA   THR 103           HA       THR 103  16.634   1.192   2.478
  561    HB   THR 103           HB       THR 103  16.250   0.918   0.181
  562    HG1  THR 103           HG1      THR 103  14.031  -0.098   0.810
  563   1HG2  THR 103          1HG2      THR 103  16.928  -1.472   1.880
  564   2HG2  THR 103          2HG2      THR 103  18.032  -0.179   1.413
  565   3HG2  THR 103          3HG2      THR 103  17.368  -1.257   0.185
  566    H    LYS 104           H        LYS 104  16.428   3.001   1.027
  567    HA   LYS 104           HA       LYS 104  14.206   4.630   1.651
  568   1HB   LYS 104          1HB       LYS 104  16.415   5.569   1.106
  569   2HB   LYS 104          2HB       LYS 104  16.257   4.986  -0.547
  570   1HG   LYS 104          1HG       LYS 104  14.178   6.406  -0.720
  571   2HG   LYS 104          2HG       LYS 104  14.652   7.127   0.817
  572   1HD   LYS 104          1HD       LYS 104  16.800   7.802  -0.202
  573   2HD   LYS 104          2HD       LYS 104  16.245   7.143  -1.746
  574   1HE   LYS 104          1HE       LYS 104  14.315   8.686  -1.663
  575   2HE   LYS 104          2HE       LYS 104  14.967   9.384  -0.182
  576   1HZ   LYS 104          1HZ       LYS 104  17.017   9.896  -1.540
  577   2HZ   LYS 104          2HZ       LYS 104  15.625  10.788  -1.912
  578   3HZ   LYS 104          3HZ       LYS 104  16.098   9.513  -2.917
  579    H    VAL 105           H        VAL 105  12.215   4.319   0.900
  580    HA   VAL 105           HA       VAL 105  11.909   3.559  -1.910
  581    HB   VAL 105           HB       VAL 105   9.813   2.791  -1.358
  582   1HG1  VAL 105          1HG1      VAL 105  10.675   0.717  -0.358
  583   2HG1  VAL 105          2HG1      VAL 105  12.178   1.547   0.042
  584   3HG1  VAL 105          3HG1      VAL 105  11.723   1.314  -1.646
  585   1HG2  VAL 105          1HG2      VAL 105  10.748   3.123   1.483
  586   2HG2  VAL 105          2HG2      VAL 105   9.279   2.301   0.952
  587   3HG2  VAL 105          3HG2      VAL 105   9.454   4.039   0.709
  588    H    LYS 106           H        LYS 106  10.001   4.320  -2.972
  589    HA   LYS 106           HA       LYS 106   9.001   6.867  -1.894
  590   1HB   LYS 106          1HB       LYS 106  10.622   7.180  -3.764
  591   2HB   LYS 106          2HB       LYS 106   9.567   6.227  -4.797
  592   1HG   LYS 106          1HG       LYS 106   7.838   7.891  -4.656
  593   2HG   LYS 106          2HG       LYS 106   8.770   8.809  -3.469
  594   1HD   LYS 106          1HD       LYS 106  10.548   9.116  -5.168
  595   2HD   LYS 106          2HD       LYS 106   9.520   8.296  -6.345
  596   1HE   LYS 106          1HE       LYS 106   7.855  10.012  -6.183
  597   2HE   LYS 106          2HE       LYS 106   8.712  10.780  -4.848
  598   1HZ   LYS 106          1HZ       LYS 106   9.655  10.571  -7.658
  599   2HZ   LYS 106          2HZ       LYS 106  10.562  11.215  -6.378
  600   3HZ   LYS 106          3HZ       LYS 106   9.126  11.976  -6.864
  601    H    VAL 107           H        VAL 107   6.859   6.937  -1.695
  602    HA   VAL 107           HA       VAL 107   5.338   4.694  -2.856
  603    HB   VAL 107           HB       VAL 107   4.236   6.578  -1.039
  604   1HG1  VAL 107          1HG1      VAL 107   3.080   4.517  -0.332
  605   2HG1  VAL 107          2HG1      VAL 107   3.957   3.623  -1.573
  606   3HG1  VAL 107          3HG1      VAL 107   2.830   4.899  -2.036
  607   1HG2  VAL 107          1HG2      VAL 107   6.403   6.063  -0.039
  608   2HG2  VAL 107          2HG2      VAL 107   6.108   4.338  -0.260
  609   3HG2  VAL 107          3HG2      VAL 107   5.093   5.272   0.840
  610    H    HIS 108           H        HIS 108   4.247   5.182  -4.681
  611    HA   HIS 108           HA       HIS 108   2.925   7.813  -4.711
  612   1HB   HIS 108          1HB       HIS 108   4.331   7.070  -6.742
  613   2HB   HIS 108          2HB       HIS 108   3.043   5.913  -7.055
  614    HD1  HIS 108           HD1      HIS 108   3.912   8.548  -8.787
  615    HD2  HIS 108           HD2      HIS 108   0.551   8.052  -6.383
  616    HE1  HIS 108           HE1      HIS 108   2.214  10.194  -9.637
  617    HE2  HIS 108           HE2      HIS 108   0.274  10.023  -8.039
  618    H    MET 109           H        MET 109   1.132   7.602  -3.619
  619    HA   MET 109           HA       MET 109  -0.572   5.250  -4.005
  620   1HB   MET 109          1HB       MET 109  -0.716   7.549  -2.040
  621   2HB   MET 109          2HB       MET 109  -1.883   6.237  -2.117
  622   1HG   MET 109          1HG       MET 109  -0.242   4.640  -1.460
  623   2HG   MET 109          2HG       MET 109   1.050   5.828  -1.611
  624   1HE   MET 109          1HE       MET 109   0.357   8.222   1.382
  625   2HE   MET 109          2HE       MET 109  -0.252   8.418  -0.261
  626   3HE   MET 109          3HE       MET 109   1.398   7.853   0.006
  627    H    LYS 110           H        LYS 110  -2.681   5.462  -4.807
  628    HA   LYS 110           HA       LYS 110  -3.504   8.125  -5.638
  629   1HB   LYS 110          1HB       LYS 110  -3.941   7.450  -7.963
  630   2HB   LYS 110          2HB       LYS 110  -2.228   7.357  -7.580
  631   1HG   LYS 110          1HG       LYS 110  -2.256   5.013  -7.515
  632   2HG   LYS 110          2HG       LYS 110  -4.016   4.956  -7.442
  633   1HD   LYS 110          1HD       LYS 110  -3.341   4.322  -9.650
  634   2HD   LYS 110          2HD       LYS 110  -4.077   5.921  -9.738
  635   1HE   LYS 110          1HE       LYS 110  -1.898   6.959  -9.845
  636   2HE   LYS 110          2HE       LYS 110  -1.111   5.397  -9.623
  637   1HZ   LYS 110          1HZ       LYS 110  -2.162   4.674 -11.725
  638   2HZ   LYS 110          2HZ       LYS 110  -1.073   5.953 -11.931
  639   3HZ   LYS 110          3HZ       LYS 110  -2.744   6.252 -11.955
  640    H    LYS 111           H        LYS 111  -5.562   8.339  -5.073
  641    HA   LYS 111           HA       LYS 111  -7.299   6.345  -4.387
  642   1HB   LYS 111          1HB       LYS 111  -7.602   8.683  -3.934
  643   2HB   LYS 111          2HB       LYS 111  -7.754   9.039  -5.644
  644   1HG   LYS 111          1HG       LYS 111  -9.853   7.844  -5.750
  645   2HG   LYS 111          2HG       LYS 111  -9.680   7.346  -4.062
  646   1HD   LYS 111          1HD       LYS 111  -9.491   9.892  -3.601
  647   2HD   LYS 111          2HD       LYS 111 -10.250  10.056  -5.187
  648   1HE   LYS 111          1HE       LYS 111 -11.395   8.384  -2.953
  649   2HE   LYS 111          2HE       LYS 111 -11.852  10.059  -3.255
  650   1HZ   LYS 111          1HZ       LYS 111 -13.328   8.280  -4.238
  651   2HZ   LYS 111          2HZ       LYS 111 -12.079   7.971  -5.347
  652   3HZ   LYS 111          3HZ       LYS 111 -12.808   9.500  -5.297
  653    H    ALA 112           H        ALA 112  -7.988   4.712  -5.513
  654    HA   ALA 112           HA       ALA 112  -7.462   4.253  -8.189
  655   1HB   ALA 112          1HB       ALA 112  -9.620   2.977  -6.510
  656   2HB   ALA 112          2HB       ALA 112  -7.924   2.492  -6.548
  657   3HB   ALA 112          3HB       ALA 112  -8.922   2.325  -7.993
  658    H    LEU 113           H        LEU 113  -8.626   4.501 -10.048
  659    HA   LEU 113           HA       LEU 113 -10.527   6.593 -10.133
  660   1HB   LEU 113          1HB       LEU 113  -9.856   4.595 -12.289
  661   2HB   LEU 113          2HB       LEU 113 -10.628   6.152 -12.515
  662    HG   LEU 113           HG       LEU 113  -7.800   5.742 -11.535
  663   1HD1  LEU 113          1HD1      LEU 113  -7.138   6.612 -13.714
  664   2HD1  LEU 113          2HD1      LEU 113  -8.828   6.675 -14.211
  665   3HD1  LEU 113          3HD1      LEU 113  -8.064   5.120 -13.879
  666   1HD2  LEU 113          1HD2      LEU 113  -7.583   8.159 -11.845
  667   2HD2  LEU 113          2HD2      LEU 113  -8.817   7.772 -10.646
  668   3HD2  LEU 113          3HD2      LEU 113  -9.291   8.258 -12.274
  669    H    SER 114           H        SER 114 -10.854   3.348  -9.392
  670    HA   SER 114           HA       SER 114 -13.456   2.840 -10.402
  671   1HB   SER 114          1HB       SER 114 -12.155   1.609  -7.962
  672   2HB   SER 114          2HB       SER 114 -13.423   0.907  -8.968
  673    HG   SER 114           HG       SER 114 -11.981   0.327 -10.411
  674    H    GLY 115           H        GLY 115 -12.197   4.209  -7.393
  675   1HA   GLY 115          1HA       GLY 115 -14.003   5.973  -6.689
  676   2HA   GLY 115          2HA       GLY 115 -14.913   4.509  -6.352
  677    H    ASP 116           H        ASP 116 -14.612   3.478  -4.473
  678    HA   ASP 116           HA       ASP 116 -12.987   4.873  -2.503
  679   1HB   ASP 116          1HB       ASP 116 -15.250   2.926  -2.355
  680   2HB   ASP 116          2HB       ASP 116 -14.190   3.119  -0.962
  681    H    SER 117           H        SER 117 -11.131   3.951  -3.793
  682    HA   SER 117           HA       SER 117  -9.899   1.953  -2.141
  683   1HB   SER 117          1HB       SER 117  -9.135   0.758  -4.342
  684   2HB   SER 117          2HB       SER 117 -10.650   0.320  -3.563
  685    HG   SER 117           HG       SER 117 -10.968   0.619  -5.786
  686    H    TYR 118           H        TYR 118  -7.556   1.873  -2.585
  687    HA   TYR 118           HA       TYR 118  -6.560   4.179  -4.107
  688   1HB   TYR 118          1HB       TYR 118  -5.707   3.720  -1.237
  689   2HB   TYR 118          2HB       TYR 118  -5.308   5.090  -2.277
  690    HD1  TYR 118           HD1      TYR 118  -7.712   3.656  -0.017
  691    HD2  TYR 118           HD2      TYR 118  -7.033   6.729  -2.848
  692    HE1  TYR 118           HE1      TYR 118  -9.629   4.905   0.901
  693    HE2  TYR 118           HE2      TYR 118  -8.946   8.000  -1.954
  694    HH   TYR 118           HH       TYR 118 -10.957   7.637  -0.673
  695    H    TRP 119           H        TRP 119  -4.531   3.886  -4.983
  696    HA   TRP 119           HA       TRP 119  -3.466   1.191  -4.765
  697   1HB   TRP 119          1HB       TRP 119  -2.870   3.508  -6.594
  698   2HB   TRP 119          2HB       TRP 119  -2.018   1.954  -6.664
  699    HD1  TRP 119           HD1      TRP 119  -5.714   3.194  -6.914
  700    HE1  TRP 119           HE1      TRP 119  -6.872   1.739  -8.724
  701    HE3  TRP 119           HE3      TRP 119  -1.816   0.151  -8.119
  702    HZ2  TRP 119           HZ2      TRP 119  -6.184  -0.409 -10.429
  703    HZ3  TRP 119           HZ3      TRP 119  -2.112  -1.544  -9.827
  704    HH2  TRP 119           HH2      TRP 119  -4.255  -1.835 -10.981
  705    H    VAL 120           H        VAL 120  -1.191   0.897  -4.705
  706    HA   VAL 120           HA       VAL 120   0.374   2.980  -3.349
  707    HB   VAL 120           HB       VAL 120   0.218   0.184  -2.675
  708   1HG1  VAL 120          1HG1      VAL 120   2.475   1.081  -2.450
  709   2HG1  VAL 120          2HG1      VAL 120   1.747   0.832  -0.864
  710   3HG1  VAL 120          3HG1      VAL 120   1.850   2.457  -1.542
  711   1HG2  VAL 120          1HG2      VAL 120  -1.727   1.334  -1.872
  712   2HG2  VAL 120          2HG2      VAL 120  -0.734   2.649  -1.242
  713   3HG2  VAL 120          3HG2      VAL 120  -0.625   1.040  -0.527
  714    H    PHE 121           H        PHE 121   1.738   3.347  -5.062
  715    HA   PHE 121           HA       PHE 121   3.152   1.027  -6.200
  716   1HB   PHE 121          1HB       PHE 121   3.152   3.921  -7.082
  717   2HB   PHE 121          2HB       PHE 121   4.043   2.630  -7.863
  718    HD1  PHE 121           HD1      PHE 121   0.601   3.698  -6.984
  719    HD2  PHE 121           HD2      PHE 121   3.067   1.427  -9.601
  720    HE1  PHE 121           HE1      PHE 121  -1.348   3.238  -8.415
  721    HE2  PHE 121           HE2      PHE 121   1.126   0.970 -11.039
  722    HZ   PHE 121           HZ       PHE 121  -1.046   1.903 -10.510
  723    H    VAL 122           H        VAL 122   4.830   0.498  -4.894
  724    HA   VAL 122           HA       VAL 122   6.400   2.662  -3.728
  725    HB   VAL 122           HB       VAL 122   5.727   0.846  -2.481
  726   1HG1  VAL 122          1HG1      VAL 122   7.641  -0.687  -4.224
  727   2HG1  VAL 122          2HG1      VAL 122   5.903  -0.954  -4.072
  728   3HG1  VAL 122          3HG1      VAL 122   6.966  -1.259  -2.698
  729   1HG2  VAL 122          1HG2      VAL 122   8.681   1.257  -2.789
  730   2HG2  VAL 122          2HG2      VAL 122   7.874   0.566  -1.383
  731   3HG2  VAL 122          3HG2      VAL 122   7.577   2.244  -1.832
  732    H    LYS 123           H        LYS 123   8.550   3.023  -4.169
  733    HA   LYS 123           HA       LYS 123   9.863   1.490  -6.245
  734   1HB   LYS 123          1HB       LYS 123   8.546   3.146  -7.489
  735   2HB   LYS 123          2HB       LYS 123   9.232   4.437  -6.518
  736   1HG   LYS 123          1HG       LYS 123  11.475   3.841  -7.430
  737   2HG   LYS 123          2HG       LYS 123  10.669   2.697  -8.507
  738   1HD   LYS 123          1HD       LYS 123   9.375   4.518  -9.489
  739   2HD   LYS 123          2HD       LYS 123  10.138   5.668  -8.389
  740   1HE   LYS 123          1HE       LYS 123  11.252   5.843 -10.484
  741   2HE   LYS 123          2HE       LYS 123  12.341   5.012  -9.377
  742   1HZ   LYS 123          1HZ       LYS 123  10.707   3.792 -11.533
  743   2HZ   LYS 123          2HZ       LYS 123  11.558   2.889 -10.376
  744   3HZ   LYS 123          3HZ       LYS 123  12.400   3.892 -11.457
  745    H    ARG 124           H        ARG 124  11.771   1.073  -5.271
  746    HA   ARG 124           HA       ARG 124  12.825   2.861  -3.285
  747   1HB   ARG 124          1HB       ARG 124  14.560   1.266  -2.938
  748   2HB   ARG 124          2HB       ARG 124  13.071   0.366  -3.166
  749   1HG   ARG 124          1HG       ARG 124  13.701  -0.354  -5.307
  750   2HG   ARG 124          2HG       ARG 124  14.994   0.844  -5.418
  751   1HD   ARG 124          1HD       ARG 124  14.898  -1.541  -3.572
  752   2HD   ARG 124          2HD       ARG 124  15.930  -1.351  -4.990
  753    HE   ARG 124           HE       ARG 124  16.241   0.696  -2.958
  754   1HH1  ARG 124          1HH1      ARG 124  17.376  -2.358  -4.228
  755   2HH1  ARG 124          2HH1      ARG 124  18.903  -2.284  -3.407
  756   1HH2  ARG 124          1HH2      ARG 124  18.242   0.820  -1.890
  757   2HH2  ARG 124          2HH2      ARG 124  19.404  -0.463  -2.078
  758    H    VAL 125           H        VAL 125  14.610   4.140  -3.412
  759    HA   VAL 125           HA       VAL 125  15.556   4.750  -6.122
  760    HB   VAL 125           HB       VAL 125  15.955   6.173  -3.655
  761   1HG1  VAL 125          1HG1      VAL 125  16.331   6.896  -6.559
  762   2HG1  VAL 125          2HG1      VAL 125  17.620   6.589  -5.397
  763   3HG1  VAL 125          3HG1      VAL 125  16.556   7.979  -5.185
  764   1HG2  VAL 125          1HG2      VAL 125  13.588   6.026  -4.167
  765   2HG2  VAL 125          2HG2      VAL 125  13.903   6.555  -5.820
  766   3HG2  VAL 125          3HG2      VAL 125  14.204   7.649  -4.469
  767    H2   HC4 169           H2       HC4 169   3.928   0.777  19.919
  768    H3   HC4 169           H3       HC4 169   5.379   0.517  21.513
  769    H2'  HC4 169           H2'      HC4 169   6.713  -0.600  23.189
  770    H3'  HC4 169           H3'      HC4 169   7.787  -2.581  24.161
  771    H5'  HC4 169           H5'      HC4 169   5.593  -5.064  21.491
  772    H6'  HC4 169           H6'      HC4 169   4.612  -3.075  20.458
  773   'HO4  HC4 169          'HO4      HC4 169   7.293  -4.974  24.424
  Start of MODEL    2
    1    H    LEU  26           H        LEU  26   6.447  -5.488 -15.147
    2    HA   LEU  26           HA       LEU  26   4.976  -3.497 -13.530
    3   1HB   LEU  26          1HB       LEU  26   5.001  -6.517 -13.425
    4   2HB   LEU  26          2HB       LEU  26   4.308  -5.494 -12.183
    5    HG   LEU  26           HG       LEU  26   3.357  -5.688 -15.043
    6   1HD1  LEU  26          1HD1      LEU  26   1.370  -6.721 -14.052
    7   2HD1  LEU  26          2HD1      LEU  26   2.133  -6.662 -12.465
    8   3HD1  LEU  26          3HD1      LEU  26   2.824  -7.669 -13.737
    9   1HD2  LEU  26          1HD2      LEU  26   1.495  -4.280 -14.299
   10   2HD2  LEU  26          2HD2      LEU  26   3.039  -3.443 -14.151
   11   3HD2  LEU  26          3HD2      LEU  26   2.258  -4.109 -12.717
   12    H    ALA  27           H        ALA  27   5.771  -3.116 -11.509
   13    HA   ALA  27           HA       ALA  27   8.544  -3.932 -11.054
   14   1HB   ALA  27          1HB       ALA  27   6.865  -1.856  -9.644
   15   2HB   ALA  27          2HB       ALA  27   8.022  -1.541 -10.937
   16   3HB   ALA  27          3HB       ALA  27   8.583  -2.152  -9.381
   17    H    PHE  28           H        PHE  28   8.719  -3.779  -8.325
   18    HA   PHE  28           HA       PHE  28   7.189  -6.135  -7.513
   19   1HB   PHE  28          1HB       PHE  28   9.595  -4.796  -6.255
   20   2HB   PHE  28          2HB       PHE  28   8.799  -6.230  -5.611
   21    HD1  PHE  28           HD1      PHE  28  11.054  -4.923  -8.130
   22    HD2  PHE  28           HD2      PHE  28   8.908  -8.364  -6.837
   23    HE1  PHE  28           HE1      PHE  28  12.469  -6.341  -9.560
   24    HE2  PHE  28           HE2      PHE  28  10.323  -9.786  -8.262
   25    HZ   PHE  28           HZ       PHE  28  12.076  -8.782  -9.644
   26    H    GLY  29           H        GLY  29   7.666  -2.767  -6.754
   27   1HA   GLY  29          1HA       GLY  29   5.843  -2.951  -4.472
   28   2HA   GLY  29          2HA       GLY  29   6.804  -1.549  -4.923
   29    H    ALA  30           H        ALA  30   4.098  -3.542  -6.069
   30    HA   ALA  30           HA       ALA  30   2.655  -1.085  -6.683
   31   1HB   ALA  30          1HB       ALA  30   3.059  -3.251  -8.745
   32   2HB   ALA  30          2HB       ALA  30   3.800  -1.651  -8.779
   33   3HB   ALA  30          3HB       ALA  30   2.050  -1.817  -8.927
   34    H    ILE  31           H        ILE  31   1.038  -1.442  -5.268
   35    HA   ILE  31           HA       ILE  31  -0.582  -3.835  -5.751
   36    HB   ILE  31           HB       ILE  31   0.558  -4.236  -3.931
   37   1HG1  ILE  31          1HG1      ILE  31  -2.293  -3.502  -3.415
   38   2HG1  ILE  31          2HG1      ILE  31  -1.623  -5.055  -3.907
   39   1HG2  ILE  31          1HG2      ILE  31   0.436  -2.832  -1.915
   40   2HG2  ILE  31          2HG2      ILE  31  -0.414  -1.601  -2.850
   41   3HG2  ILE  31          3HG2      ILE  31   1.251  -2.021  -3.252
   42   1HD1  ILE  31          1HD1      ILE  31  -0.545  -5.305  -1.760
   43   2HD1  ILE  31          2HD1      ILE  31  -2.276  -5.040  -1.560
   44   3HD1  ILE  31          3HD1      ILE  31  -1.142  -3.724  -1.257
   45    H    GLN  32           H        GLN  32  -2.748  -3.572  -5.689
   46    HA   GLN  32           HA       GLN  32  -3.687  -0.817  -5.286
   47   1HB   GLN  32          1HB       GLN  32  -4.642  -0.884  -7.308
   48   2HB   GLN  32          2HB       GLN  32  -3.819  -2.406  -7.589
   49   1HG   GLN  32          1HG       GLN  32  -5.969  -2.938  -8.101
   50   2HG   GLN  32          2HG       GLN  32  -5.876  -3.435  -6.410
   51   1HE2  GLN  32          1HE2      GLN  32  -7.145  -1.094  -8.653
   52   2HE2  GLN  32          2HE2      GLN  32  -8.304  -0.392  -7.584
   53    H    LEU  33           H        LEU  33  -5.021  -0.551  -3.656
   54    HA   LEU  33           HA       LEU  33  -6.604  -2.850  -2.716
   55   1HB   LEU  33          1HB       LEU  33  -5.988  -2.297  -0.373
   56   2HB   LEU  33          2HB       LEU  33  -4.678  -2.938  -1.338
   57    HG   LEU  33           HG       LEU  33  -3.993  -0.462  -1.671
   58   1HD1  LEU  33          1HD1      LEU  33  -4.580   1.019   0.162
   59   2HD1  LEU  33          2HD1      LEU  33  -5.657  -0.207   0.829
   60   3HD1  LEU  33          3HD1      LEU  33  -6.022   0.533  -0.730
   61   1HD2  LEU  33          1HD2      LEU  33  -2.675  -2.072  -0.437
   62   2HD2  LEU  33          2HD2      LEU  33  -3.697  -1.855   0.984
   63   3HD2  LEU  33          3HD2      LEU  33  -2.692  -0.526   0.410
   64    H    ASP  34           H        ASP  34  -8.270  -2.240  -1.173
   65    HA   ASP  34           HA       ASP  34  -9.374   0.372  -1.937
   66   1HB   ASP  34          1HB       ASP  34 -11.532  -0.458  -1.055
   67   2HB   ASP  34          2HB       ASP  34 -10.893  -1.445  -2.360
   68    H    GLY  35           H        GLY  35 -10.401   1.706  -0.393
   69   1HA   GLY  35          1HA       GLY  35  -8.646   2.199   1.805
   70   2HA   GLY  35          2HA       GLY  35 -10.091   3.111   1.401
   71    H    ASP  36           H        ASP  36 -11.540   0.418   1.467
   72    HA   ASP  36           HA       ASP  36 -12.500   0.535   4.110
   73   1HB   ASP  36          1HB       ASP  36 -13.862  -0.344   2.320
   74   2HB   ASP  36          2HB       ASP  36 -12.699  -1.628   2.004
   75    H    GLY  37           H        GLY  37 -10.132  -1.562   2.524
   76   1HA   GLY  37          1HA       GLY  37  -8.156  -1.863   4.102
   77   2HA   GLY  37          2HA       GLY  37  -9.349  -2.544   5.200
   78    H    ASN  38           H        ASN  38  -9.161  -3.029   1.698
   79    HA   ASN  38           HA       ASN  38  -8.379  -5.833   2.166
   80   1HB   ASN  38          1HB       ASN  38 -10.492  -5.064   0.147
   81   2HB   ASN  38          2HB       ASN  38 -10.075  -6.674   0.723
   82   1HD2  ASN  38          1HD2      ASN  38 -11.609  -3.655   1.521
   83   2HD2  ASN  38          2HD2      ASN  38 -12.607  -4.264   2.809
   84    H    ILE  39           H        ILE  39  -7.163  -6.760   0.507
   85    HA   ILE  39           HA       ILE  39  -6.053  -4.888  -1.416
   86    HB   ILE  39           HB       ILE  39  -5.573  -7.669  -0.833
   87   1HG1  ILE  39          1HG1      ILE  39  -4.009  -5.161  -0.326
   88   2HG1  ILE  39          2HG1      ILE  39  -4.940  -6.036   0.883
   89   1HG2  ILE  39          1HG2      ILE  39  -3.635  -7.414  -2.307
   90   2HG2  ILE  39          2HG2      ILE  39  -4.137  -5.773  -2.712
   91   3HG2  ILE  39          3HG2      ILE  39  -5.124  -7.145  -3.213
   92   1HD1  ILE  39          1HD1      ILE  39  -2.571  -6.540   1.046
   93   2HD1  ILE  39          2HD1      ILE  39  -2.564  -7.098  -0.627
   94   3HD1  ILE  39          3HD1      ILE  39  -3.493  -7.973   0.590
   95    H    LEU  40           H        LEU  40  -6.503  -4.856  -3.566
   96    HA   LEU  40           HA       LEU  40  -8.608  -6.682  -4.491
   97   1HB   LEU  40          1HB       LEU  40  -9.006  -4.244  -4.656
   98   2HB   LEU  40          2HB       LEU  40  -7.620  -4.116  -5.727
   99    HG   LEU  40           HG       LEU  40  -8.761  -5.575  -7.363
  100   1HD1  LEU  40          1HD1      LEU  40 -11.079  -5.407  -5.439
  101   2HD1  LEU  40          2HD1      LEU  40 -10.146  -6.852  -5.826
  102   3HD1  LEU  40          3HD1      LEU  40 -11.140  -6.086  -7.066
  103   1HD2  LEU  40          1HD2      LEU  40  -8.968  -3.166  -7.582
  104   2HD2  LEU  40          2HD2      LEU  40 -10.353  -3.166  -6.492
  105   3HD2  LEU  40          3HD2      LEU  40 -10.470  -3.956  -8.063
  106    H    GLN  41           H        GLN  41  -5.446  -5.378  -5.417
  107    HA   GLN  41           HA       GLN  41  -4.803  -7.869  -6.729
  108   1HB   GLN  41          1HB       GLN  41  -6.009  -6.667  -8.511
  109   2HB   GLN  41          2HB       GLN  41  -4.893  -5.317  -8.351
  110   1HG   GLN  41          1HG       GLN  41  -4.245  -6.615 -10.245
  111   2HG   GLN  41          2HG       GLN  41  -3.040  -6.839  -8.979
  112   1HE2  GLN  41          1HE2      GLN  41  -5.593  -8.301 -10.794
  113   2HE2  GLN  41          2HE2      GLN  41  -5.283  -9.935 -10.320
  114    H    TYR  42           H        TYR  42  -2.632  -8.229  -6.867
  115    HA   TYR  42           HA       TYR  42  -0.863  -6.018  -6.042
  116   1HB   TYR  42          1HB       TYR  42  -1.021  -8.036  -4.490
  117   2HB   TYR  42          2HB       TYR  42  -0.254  -8.969  -5.771
  118    HD1  TYR  42           HD1      TYR  42   2.102  -8.767  -6.204
  119    HD2  TYR  42           HD2      TYR  42   0.216  -6.234  -3.356
  120    HE1  TYR  42           HE1      TYR  42   4.310  -8.056  -5.385
  121    HE2  TYR  42           HE2      TYR  42   2.418  -5.517  -2.528
  122    HH   TYR  42           HH       TYR  42   5.280  -6.070  -4.199
  123    H    ASN  43           H        ASN  43   0.321  -5.264  -7.678
  124    HA   ASN  43           HA       ASN  43   0.417  -6.854 -10.124
  125   1HB   ASN  43          1HB       ASN  43   1.143  -3.948  -9.670
  126   2HB   ASN  43          2HB       ASN  43   1.114  -4.765 -11.230
  127   1HD2  ASN  43          1HD2      ASN  43  -0.755  -3.365  -8.696
  128   2HD2  ASN  43          2HD2      ASN  43  -2.279  -3.410  -9.508
  129    H    ALA  44           H        ALA  44   1.967  -8.312  -9.628
  130    HA   ALA  44           HA       ALA  44   4.618  -7.578 -10.342
  131   1HB   ALA  44          1HB       ALA  44   4.753  -6.900  -8.001
  132   2HB   ALA  44          2HB       ALA  44   5.743  -8.333  -8.282
  133   3HB   ALA  44          3HB       ALA  44   4.173  -8.485  -7.493
  134    H    ALA  45           H        ALA  45   2.200  -9.454 -10.647
  135    HA   ALA  45           HA       ALA  45   3.723 -11.914 -10.952
  136   1HB   ALA  45          1HB       ALA  45   2.028 -13.249  -9.822
  137   2HB   ALA  45          2HB       ALA  45   1.126 -11.787  -9.423
  138   3HB   ALA  45          3HB       ALA  45   2.722 -12.058  -8.722
  139    H    GLU  46           H        GLU  46   3.522 -12.183 -13.060
  140    HA   GLU  46           HA       GLU  46   0.825 -12.675 -14.051
  141   1HB   GLU  46          1HB       GLU  46   1.583 -11.749 -16.315
  142   2HB   GLU  46          2HB       GLU  46   1.165 -10.586 -15.068
  143   1HG   GLU  46          1HG       GLU  46   3.516 -10.207 -14.600
  144   2HG   GLU  46          2HG       GLU  46   3.963 -11.426 -15.796
  145    H    GLY  47           H        GLY  47   0.933 -14.801 -14.128
  146   1HA   GLY  47          1HA       GLY  47   1.675 -16.796 -15.261
  147   2HA   GLY  47          2HA       GLY  47   3.260 -16.051 -15.445
  148    H    ASP  48           H        ASP  48   2.792 -15.027 -12.592
  149    HA   ASP  48           HA       ASP  48   4.156 -17.171 -11.257
  150   1HB   ASP  48          1HB       ASP  48   3.055 -14.587 -10.119
  151   2HB   ASP  48          2HB       ASP  48   4.176 -15.674  -9.310
  152    H    ILE  49           H        ILE  49   2.933 -18.925 -10.796
  153    HA   ILE  49           HA       ILE  49   0.323 -18.481  -9.521
  154    HB   ILE  49           HB       ILE  49   1.539 -20.889 -10.523
  155   1HG1  ILE  49          1HG1      ILE  49   1.073 -19.278 -12.304
  156   2HG1  ILE  49          2HG1      ILE  49  -0.048 -20.634 -12.356
  157   1HG2  ILE  49          1HG2      ILE  49  -0.711 -21.793 -10.262
  158   2HG2  ILE  49          2HG2      ILE  49  -1.250 -20.272  -9.550
  159   3HG2  ILE  49          3HG2      ILE  49  -0.059 -21.268  -8.709
  160   1HD1  ILE  49          1HD1      ILE  49  -0.621 -17.892 -11.259
  161   2HD1  ILE  49          2HD1      ILE  49  -1.749 -19.249 -11.268
  162   3HD1  ILE  49          3HD1      ILE  49  -1.195 -18.552 -12.791
  163    H    THR  50           H        THR  50   0.000 -19.020  -7.427
  164    HA   THR  50           HA       THR  50   2.305 -20.166  -5.997
  165    HB   THR  50           HB       THR  50   1.338 -19.030  -4.139
  166    HG1  THR  50           HG1      THR  50  -0.459 -18.002  -4.571
  167   1HG2  THR  50          1HG2      THR  50   3.413 -18.398  -5.257
  168   2HG2  THR  50          2HG2      THR  50   2.491 -16.979  -4.758
  169   3HG2  THR  50          3HG2      THR  50   2.491 -17.481  -6.450
  170    H    GLY  51           H        GLY  51   1.635 -21.031  -3.775
  171   1HA   GLY  51          1HA       GLY  51  -0.972 -22.424  -3.968
  172   2HA   GLY  51          2HA       GLY  51   0.478 -23.200  -3.335
  173    H    ARG  52           H        ARG  52   0.744 -23.162  -1.190
  174    HA   ARG  52           HA       ARG  52  -0.836 -21.371   0.449
  175   1HB   ARG  52          1HB       ARG  52   1.309 -23.373   1.191
  176   2HB   ARG  52          2HB       ARG  52   0.349 -22.461   2.347
  177   1HG   ARG  52          1HG       ARG  52  -1.672 -23.543   1.572
  178   2HG   ARG  52          2HG       ARG  52  -0.755 -24.409   0.336
  179   1HD   ARG  52          1HD       ARG  52  -1.176 -25.852   2.241
  180   2HD   ARG  52          2HD       ARG  52   0.547 -25.513   2.089
  181    HE   ARG  52           HE       ARG  52  -0.835 -23.740   3.887
  182   1HH1  ARG  52          1HH1      ARG  52   0.782 -26.833   3.601
  183   2HH1  ARG  52          2HH1      ARG  52   1.229 -26.900   5.278
  184   1HH2  ARG  52          1HH2      ARG  52  -0.281 -23.836   6.094
  185   2HH2  ARG  52          2HH2      ARG  52   0.614 -25.200   6.706
  186    H    ASP  53           H        ASP  53  -0.127 -19.320  -0.051
  187    HA   ASP  53           HA       ASP  53   2.685 -18.727   0.599
  188   1HB   ASP  53          1HB       ASP  53   2.257 -18.798  -1.870
  189   2HB   ASP  53          2HB       ASP  53   1.123 -17.469  -1.663
  190    HA   PRO  54           HA       PRO  54   0.314 -15.955   3.203
  191   1HB   PRO  54          1HB       PRO  54   2.601 -15.730   4.906
  192   2HB   PRO  54          2HB       PRO  54   1.148 -16.695   5.161
  193   1HG   PRO  54          1HG       PRO  54   3.668 -17.731   4.714
  194   2HG   PRO  54          2HG       PRO  54   2.151 -18.604   4.441
  195   1HD   PRO  54          1HD       PRO  54   3.915 -17.206   2.470
  196   2HD   PRO  54          2HD       PRO  54   3.019 -18.732   2.302
  197    H    LYS  55           H        LYS  55   1.785 -14.899   0.876
  198    HA   LYS  55           HA       LYS  55   3.171 -12.550   1.866
  199   1HB   LYS  55          1HB       LYS  55   2.550 -13.678  -0.826
  200   2HB   LYS  55          2HB       LYS  55   2.869 -11.956  -0.710
  201   1HG   LYS  55          1HG       LYS  55   4.847 -13.307  -1.313
  202   2HG   LYS  55          2HG       LYS  55   5.062 -12.353   0.152
  203   1HD   LYS  55          1HD       LYS  55   4.955 -14.229   1.530
  204   2HD   LYS  55          2HD       LYS  55   4.168 -15.208   0.290
  205   1HE   LYS  55          1HE       LYS  55   6.990 -14.178   0.083
  206   2HE   LYS  55          2HE       LYS  55   6.569 -15.773   0.705
  207   1HZ   LYS  55          1HZ       LYS  55   7.153 -15.926  -1.610
  208   2HZ   LYS  55          2HZ       LYS  55   6.010 -14.753  -2.029
  209   3HZ   LYS  55          3HZ       LYS  55   5.498 -16.257  -1.434
  210    H    GLN  56           H        GLN  56   2.370 -10.448   0.491
  211    HA   GLN  56           HA       GLN  56  -0.429 -10.092   1.271
  212   1HB   GLN  56          1HB       GLN  56   1.781  -8.115   0.730
  213   2HB   GLN  56          2HB       GLN  56   0.101  -7.631   0.909
  214   1HG   GLN  56          1HG       GLN  56   1.776  -9.037   2.976
  215   2HG   GLN  56          2HG       GLN  56   1.309  -7.338   2.987
  216   1HE2  GLN  56          1HE2      GLN  56   0.216 -10.618   3.416
  217   2HE2  GLN  56          2HE2      GLN  56  -1.281 -10.226   4.185
  218    H    VAL  57           H        VAL  57   0.575 -11.459  -1.163
  219    HA   VAL  57           HA       VAL  57  -0.286  -9.826  -3.369
  220    HB   VAL  57           HB       VAL  57  -0.064 -12.680  -3.150
  221   1HG1  VAL  57          1HG1      VAL  57  -0.098 -10.781  -5.497
  222   2HG1  VAL  57          2HG1      VAL  57  -1.377 -11.914  -5.061
  223   3HG1  VAL  57          3HG1      VAL  57   0.194 -12.519  -5.585
  224   1HG2  VAL  57          1HG2      VAL  57   2.155 -12.320  -4.149
  225   2HG2  VAL  57          2HG2      VAL  57   2.025 -11.680  -2.513
  226   3HG2  VAL  57          3HG2      VAL  57   1.959 -10.586  -3.894
  227    H    ILE  58           H        ILE  58  -2.298  -9.107  -2.826
  228    HA   ILE  58           HA       ILE  58  -4.414  -9.097  -2.013
  229    HB   ILE  58           HB       ILE  58  -4.710  -9.139  -4.159
  230   1HG1  ILE  58          1HG1      ILE  58  -6.627 -11.068  -2.866
  231   2HG1  ILE  58          2HG1      ILE  58  -6.669  -9.316  -2.706
  232   1HG2  ILE  58          1HG2      ILE  58  -5.091 -11.173  -5.483
  233   2HG2  ILE  58          2HG2      ILE  58  -4.598 -12.152  -4.101
  234   3HG2  ILE  58          3HG2      ILE  58  -3.440 -11.070  -4.874
  235   1HD1  ILE  58          1HD1      ILE  58  -7.072  -9.108  -5.099
  236   2HD1  ILE  58          2HD1      ILE  58  -8.304 -10.100  -4.318
  237   3HD1  ILE  58          3HD1      ILE  58  -7.025 -10.863  -5.262
  238    H    GLY  59           H        GLY  59  -3.776 -10.036  -0.063
  239   1HA   GLY  59          1HA       GLY  59  -5.411 -12.413   0.480
  240   2HA   GLY  59          2HA       GLY  59  -3.757 -12.353   1.078
  241    H    LYS  60           H        LYS  60  -5.448  -9.355   0.945
  242    HA   LYS  60           HA       LYS  60  -5.710  -9.408   3.876
  243   1HB   LYS  60          1HB       LYS  60  -4.253  -7.656   3.080
  244   2HB   LYS  60          2HB       LYS  60  -5.451  -7.137   1.902
  245   1HG   LYS  60          1HG       LYS  60  -5.454  -5.561   3.680
  246   2HG   LYS  60          2HG       LYS  60  -6.934  -6.508   3.822
  247   1HD   LYS  60          1HD       LYS  60  -5.995  -6.236   6.012
  248   2HD   LYS  60          2HD       LYS  60  -5.791  -7.921   5.526
  249   1HE   LYS  60          1HE       LYS  60  -3.471  -7.448   4.880
  250   2HE   LYS  60          2HE       LYS  60  -3.675  -5.769   5.375
  251   1HZ   LYS  60          1HZ       LYS  60  -2.568  -7.073   7.078
  252   2HZ   LYS  60          2HZ       LYS  60  -3.886  -8.136   7.164
  253   3HZ   LYS  60          3HZ       LYS  60  -4.066  -6.512   7.639
  254    H    ASN  61           H        ASN  61  -7.722  -9.793   4.567
  255    HA   ASN  61           HA       ASN  61  -9.913  -8.501   3.098
  256   1HB   ASN  61          1HB       ASN  61 -11.378 -10.411   3.672
  257   2HB   ASN  61          2HB       ASN  61 -10.032 -10.885   2.647
  258   1HD2  ASN  61          1HD2      ASN  61 -11.669 -11.399   5.572
  259   2HD2  ASN  61          2HD2      ASN  61 -10.597 -12.582   6.246
  260    H    PHE  62           H        PHE  62 -10.083  -6.773   4.345
  261    HA   PHE  62           HA       PHE  62 -10.337  -5.449   6.197
  262   1HB   PHE  62          1HB       PHE  62 -12.594  -6.103   5.360
  263   2HB   PHE  62          2HB       PHE  62 -12.645  -7.343   6.609
  264    HD1  PHE  62           HD1      PHE  62 -11.702  -3.728   6.498
  265    HD2  PHE  62           HD2      PHE  62 -14.001  -6.796   8.347
  266    HE1  PHE  62           HE1      PHE  62 -12.601  -2.085   8.096
  267    HE2  PHE  62           HE2      PHE  62 -14.899  -5.161   9.954
  268    HZ   PHE  62           HZ       PHE  62 -14.171  -2.782   9.826
  269    H    PHE  63           H        PHE  63  -8.427  -6.130   7.369
  270    HA   PHE  63           HA       PHE  63  -8.881  -7.987   9.569
  271   1HB   PHE  63          1HB       PHE  63  -6.771  -8.010   8.160
  272   2HB   PHE  63          2HB       PHE  63  -6.344  -6.480   8.912
  273    HD1  PHE  63           HD1      PHE  63  -4.824  -6.614  10.624
  274    HD2  PHE  63           HD2      PHE  63  -7.526  -9.849  10.016
  275    HE1  PHE  63           HE1      PHE  63  -3.796  -7.823  12.505
  276    HE2  PHE  63           HE2      PHE  63  -6.500 -11.062  11.895
  277    HZ   PHE  63           HZ       PHE  63  -4.633 -10.049  13.143
  278    H    LYS  64           H        LYS  64 -10.081  -5.255   9.268
  279    HA   LYS  64           HA       LYS  64  -8.995  -3.917  11.637
  280   1HB   LYS  64          1HB       LYS  64 -10.885  -2.952   9.490
  281   2HB   LYS  64          2HB       LYS  64 -10.431  -2.006  10.899
  282   1HG   LYS  64          1HG       LYS  64  -8.158  -1.893  10.189
  283   2HG   LYS  64          2HG       LYS  64  -8.452  -3.051   8.889
  284   1HD   LYS  64          1HD       LYS  64  -9.903  -1.487   7.761
  285   2HD   LYS  64          2HD       LYS  64  -9.783  -0.354   9.107
  286   1HE   LYS  64          1HE       LYS  64  -7.426  -1.247   7.455
  287   2HE   LYS  64          2HE       LYS  64  -8.370   0.202   7.109
  288   1HZ   LYS  64          1HZ       LYS  64  -6.719   1.069   8.378
  289   2HZ   LYS  64          2HZ       LYS  64  -6.507  -0.325   9.312
  290   3HZ   LYS  64          3HZ       LYS  64  -7.826   0.705   9.609
  291    H    ASP  65           H        ASP  65 -11.171  -6.221  11.061
  292    HA   ASP  65           HA       ASP  65 -13.400  -5.240  12.606
  293   1HB   ASP  65          1HB       ASP  65 -13.911  -6.875  10.926
  294   2HB   ASP  65          2HB       ASP  65 -12.691  -7.983  11.547
  295    H    VAL  66           H        VAL  66 -13.554  -5.239  14.735
  296    HA   VAL  66           HA       VAL  66 -12.942  -5.371  16.921
  297    HB   VAL  66           HB       VAL  66 -12.050  -8.007  16.185
  298   1HG1  VAL  66          1HG1      VAL  66 -12.656  -8.456  18.537
  299   2HG1  VAL  66          2HG1      VAL  66 -12.971  -6.735  18.765
  300   3HG1  VAL  66          3HG1      VAL  66 -11.340  -7.291  18.394
  301   1HG2  VAL  66          1HG2      VAL  66 -14.307  -8.706  16.752
  302   2HG2  VAL  66          2HG2      VAL  66 -14.306  -7.621  15.361
  303   3HG2  VAL  66          3HG2      VAL  66 -14.786  -7.021  16.948
  304    H    ALA  67           H        ALA  67 -11.292  -3.844  16.543
  305    HA   ALA  67           HA       ALA  67  -8.815  -4.039  15.513
  306   1HB   ALA  67          1HB       ALA  67  -9.761  -1.979  16.418
  307   2HB   ALA  67          2HB       ALA  67  -8.112  -2.241  16.986
  308   3HB   ALA  67          3HB       ALA  67  -9.476  -2.567  18.056
  309    HA   PRO  68           HA       PRO  68  -7.110  -7.177  18.218
  310   1HB   PRO  68          1HB       PRO  68  -5.438  -8.253  16.451
  311   2HB   PRO  68          2HB       PRO  68  -7.185  -8.457  16.287
  312   1HG   PRO  68          1HG       PRO  68  -5.342  -6.637  14.807
  313   2HG   PRO  68          2HG       PRO  68  -6.751  -7.532  14.213
  314   1HD   PRO  68          1HD       PRO  68  -6.711  -4.834  14.946
  315   2HD   PRO  68          2HD       PRO  68  -8.163  -5.832  14.740
  316    H    CYS  69           H        CYS  69  -4.905  -7.832  18.882
  317    HA   CYS  69           HA       CYS  69  -3.244  -5.631  19.524
  318   1HB   CYS  69          1HB       CYS  69  -3.373  -7.669  20.915
  319   2HB   CYS  69          2HB       CYS  69  -2.650  -8.607  19.618
  320    H    THR  70           H        THR  70  -1.816  -4.630  18.265
  321    HA   THR  70           HA       THR  70   0.036  -6.090  16.681
  322    HB   THR  70           HB       THR  70  -1.816  -6.053  15.317
  323    HG1  THR  70           HG1      THR  70  -0.341  -5.963  13.816
  324   1HG2  THR  70          1HG2      THR  70  -2.503  -3.962  14.260
  325   2HG2  THR  70          2HG2      THR  70  -1.469  -3.064  15.370
  326   3HG2  THR  70          3HG2      THR  70  -2.854  -3.963  15.989
  327    H    ASP  71           H        ASP  71   1.694  -4.685  15.764
  328    HA   ASP  71           HA       ASP  71   1.605  -1.908  16.670
  329   1HB   ASP  71          1HB       ASP  71   2.898  -3.142  18.382
  330   2HB   ASP  71          2HB       ASP  71   3.992  -3.719  17.125
  331    H    SER  72           H        SER  72   1.052  -1.805  14.407
  332    HA   SER  72           HA       SER  72   3.406  -1.140  12.872
  333   1HB   SER  72          1HB       SER  72   1.386  -3.164  11.849
  334   2HB   SER  72          2HB       SER  72   2.645  -2.413  10.868
  335    HG   SER  72           HG       SER  72   3.684  -3.473  13.133
  336    HA   PRO  73           HA       PRO  73   0.387   2.047  12.184
  337   1HB   PRO  73          1HB       PRO  73   2.427   3.422  10.637
  338   2HB   PRO  73          2HB       PRO  73   1.748   3.850  12.208
  339   1HG   PRO  73          1HG       PRO  73   4.308   3.001  11.889
  340   2HG   PRO  73          2HG       PRO  73   3.371   2.715  13.368
  341   1HD   PRO  73          1HD       PRO  73   3.927   0.849  11.086
  342   2HD   PRO  73          2HD       PRO  73   3.939   0.525  12.835
  343    H    GLU  74           H        GLU  74  -1.163   1.705  10.736
  344    HA   GLU  74           HA       GLU  74  -0.619   1.047   7.971
  345   1HB   GLU  74          1HB       GLU  74  -3.223   1.810   9.325
  346   2HB   GLU  74          2HB       GLU  74  -3.068   1.157   7.702
  347   1HG   GLU  74          1HG       GLU  74  -2.180  -0.924   8.630
  348   2HG   GLU  74          2HG       GLU  74  -2.359  -0.266  10.257
  349    H    PHE  75           H        PHE  75   0.710   3.302   8.543
  350    HA   PHE  75           HA       PHE  75  -0.920   5.654   8.171
  351   1HB   PHE  75          1HB       PHE  75   0.931   5.601   9.809
  352   2HB   PHE  75          2HB       PHE  75   2.077   5.392   8.490
  353    HD1  PHE  75           HD1      PHE  75  -0.432   7.724   9.899
  354    HD2  PHE  75           HD2      PHE  75   2.913   7.226   7.316
  355    HE1  PHE  75           HE1      PHE  75  -0.258  10.167   9.660
  356    HE2  PHE  75           HE2      PHE  75   3.091   9.666   7.073
  357    HZ   PHE  75           HZ       PHE  75   1.477  11.139   8.246
  358    H    TYR  76           H        TYR  76   1.590   3.913   6.384
  359    HA   TYR  76           HA       TYR  76   2.450   4.141   4.294
  360   1HB   TYR  76          1HB       TYR  76  -0.414   4.939   3.762
  361   2HB   TYR  76          2HB       TYR  76   0.768   4.675   2.488
  362    HD1  TYR  76           HD1      TYR  76   1.555   2.421   1.973
  363    HD2  TYR  76           HD2      TYR  76  -1.343   3.094   5.011
  364    HE1  TYR  76           HE1      TYR  76   1.024   0.021   1.988
  365    HE2  TYR  76           HE2      TYR  76  -1.881   0.694   5.039
  366    HH   TYR  76           HH       TYR  76   0.054  -1.638   3.573
  367    H    GLY  77           H        GLY  77   0.278   6.664   3.372
  368   1HA   GLY  77          1HA       GLY  77   2.219   8.749   4.092
  369   2HA   GLY  77          2HA       GLY  77   1.664   8.627   2.422
  370    H    LYS  78           H        LYS  78   0.496   8.910   5.739
  371    HA   LYS  78           HA       LYS  78  -1.303   9.937   6.678
  372   1HB   LYS  78          1HB       LYS  78  -1.442  11.376   4.019
  373   2HB   LYS  78          2HB       LYS  78  -2.476  11.744   5.388
  374   1HG   LYS  78          1HG       LYS  78   0.526  11.956   5.402
  375   2HG   LYS  78          2HG       LYS  78  -0.582  13.299   5.127
  376   1HD   LYS  78          1HD       LYS  78  -1.612  12.698   7.378
  377   2HD   LYS  78          2HD       LYS  78  -0.194  11.677   7.628
  378   1HE   LYS  78          1HE       LYS  78  -0.190  14.651   7.115
  379   2HE   LYS  78          2HE       LYS  78   0.117  13.863   8.660
  380   1HZ   LYS  78          1HZ       LYS  78   1.785  13.406   6.244
  381   2HZ   LYS  78          2HZ       LYS  78   2.135  12.961   7.849
  382   3HZ   LYS  78          3HZ       LYS  78   2.129  14.596   7.399
  383    H    PHE  79           H        PHE  79  -1.548   7.408   5.332
  384    HA   PHE  79           HA       PHE  79  -3.513   7.113   3.445
  385   1HB   PHE  79          1HB       PHE  79  -2.056   5.295   4.314
  386   2HB   PHE  79          2HB       PHE  79  -3.052   5.227   5.763
  387    HD1  PHE  79           HD1      PHE  79  -5.085   4.032   5.791
  388    HD2  PHE  79           HD2      PHE  79  -3.055   4.699   2.111
  389    HE1  PHE  79           HE1      PHE  79  -6.589   2.434   4.681
  390    HE2  PHE  79           HE2      PHE  79  -4.556   3.101   0.989
  391    HZ   PHE  79           HZ       PHE  79  -6.328   1.967   2.272
  392    H    LYS  80           H        LYS  80  -3.972   7.625   6.901
  393    HA   LYS  80           HA       LYS  80  -6.738   6.876   6.932
  394   1HB   LYS  80          1HB       LYS  80  -5.040   8.444   8.874
  395   2HB   LYS  80          2HB       LYS  80  -6.743   8.117   9.148
  396   1HG   LYS  80          1HG       LYS  80  -6.254   5.696   9.081
  397   2HG   LYS  80          2HG       LYS  80  -4.539   6.080   8.905
  398   1HD   LYS  80          1HD       LYS  80  -4.486   7.151  11.039
  399   2HD   LYS  80          2HD       LYS  80  -6.239   7.049  11.193
  400   1HE   LYS  80          1HE       LYS  80  -6.050   4.580  11.222
  401   2HE   LYS  80          2HE       LYS  80  -4.294   4.744  11.184
  402   1HZ   LYS  80          1HZ       LYS  80  -5.193   4.414  13.443
  403   2HZ   LYS  80          2HZ       LYS  80  -6.040   5.876  13.301
  404   3HZ   LYS  80          3HZ       LYS  80  -4.344   5.876  13.282
  405    H    GLU  81           H        GLU  81  -4.926   9.846   6.603
  406    HA   GLU  81           HA       GLU  81  -7.255  11.535   6.613
  407   1HB   GLU  81          1HB       GLU  81  -5.000  12.261   7.427
  408   2HB   GLU  81          2HB       GLU  81  -4.413  12.156   5.775
  409   1HG   GLU  81          1HG       GLU  81  -5.844  13.937   5.083
  410   2HG   GLU  81          2HG       GLU  81  -6.657  13.956   6.648
  411    H    GLY  82           H        GLY  82  -5.245   9.877   4.334
  412   1HA   GLY  82          1HA       GLY  82  -5.955  11.088   1.958
  413   2HA   GLY  82          2HA       GLY  82  -5.468   9.422   2.140
  414    H    VAL  83           H        VAL  83  -7.429   8.516   3.790
  415    HA   VAL  83           HA       VAL  83  -9.502   7.861   1.986
  416    HB   VAL  83           HB       VAL  83  -9.328   7.722   4.852
  417   1HG1  VAL  83          1HG1      VAL  83 -11.646   7.591   4.138
  418   2HG1  VAL  83          2HG1      VAL  83 -11.066   5.988   4.590
  419   3HG1  VAL  83          3HG1      VAL  83 -11.218   6.422   2.888
  420   1HG2  VAL  83          1HG2      VAL  83  -8.717   5.752   2.662
  421   2HG2  VAL  83          2HG2      VAL  83  -8.723   5.400   4.390
  422   3HG2  VAL  83          3HG2      VAL  83  -7.550   6.536   3.725
  423    H    ALA  84           H        ALA  84  -9.428   9.998   4.835
  424    HA   ALA  84           HA       ALA  84 -12.225  10.579   4.571
  425   1HB   ALA  84          1HB       ALA  84 -11.222  10.432   6.787
  426   2HB   ALA  84          2HB       ALA  84 -11.901  12.038   6.517
  427   3HB   ALA  84          3HB       ALA  84 -10.158  11.786   6.407
  428    H    SER  85           H        SER  85  -9.241  12.028   3.612
  429    HA   SER  85           HA       SER  85 -10.274  14.562   2.871
  430   1HB   SER  85          1HB       SER  85  -7.814  13.861   2.951
  431   2HB   SER  85          2HB       SER  85  -8.087  13.086   1.392
  432    HG   SER  85           HG       SER  85  -8.554  15.832   1.969
  433    H    GLY  86           H        GLY  86 -10.235  11.400   1.379
  434   1HA   GLY  86          1HA       GLY  86 -11.852  10.575  -0.089
  435   2HA   GLY  86          2HA       GLY  86 -12.409  12.221  -0.359
  436    H    ASN  87           H        ASN  87  -9.042  11.745  -0.586
  437    HA   ASN  87           HA       ASN  87  -8.956  11.187  -3.379
  438   1HB   ASN  87          1HB       ASN  87  -8.019  13.489  -4.004
  439   2HB   ASN  87          2HB       ASN  87  -9.759  13.365  -3.781
  440   1HD2  ASN  87          1HD2      ASN  87  -6.769  14.511  -2.385
  441   2HD2  ASN  87          2HD2      ASN  87  -7.496  15.617  -1.273
  442    H    LEU  88           H        LEU  88  -7.629   9.902  -1.569
  443    HA   LEU  88           HA       LEU  88  -5.065  10.819  -0.890
  444   1HB   LEU  88          1HB       LEU  88  -6.520   8.678  -0.241
  445   2HB   LEU  88          2HB       LEU  88  -5.479   7.945  -1.448
  446    HG   LEU  88           HG       LEU  88  -4.551   9.473   0.930
  447   1HD1  LEU  88          1HD1      LEU  88  -5.641   7.408   1.612
  448   2HD1  LEU  88          2HD1      LEU  88  -3.899   7.286   1.857
  449   3HD1  LEU  88          3HD1      LEU  88  -4.651   6.495   0.472
  450   1HD2  LEU  88          1HD2      LEU  88  -2.964   9.509  -0.933
  451   2HD2  LEU  88          2HD2      LEU  88  -2.993   7.746  -0.983
  452   3HD2  LEU  88          3HD2      LEU  88  -2.342   8.578   0.429
  453    H    ASN  89           H        ASN  89  -4.017  11.741  -2.713
  454    HA   ASN  89           HA       ASN  89  -2.757   9.661  -4.297
  455   1HB   ASN  89          1HB       ASN  89  -3.236  10.506  -6.411
  456   2HB   ASN  89          2HB       ASN  89  -4.761  10.706  -5.564
  457   1HD2  ASN  89          1HD2      ASN  89  -5.409  12.789  -4.938
  458   2HD2  ASN  89          2HD2      ASN  89  -4.765  14.205  -5.703
  459    H    THR  90           H        THR  90  -0.715   9.840  -3.708
  460    HA   THR  90           HA       THR  90   0.614  12.442  -3.959
  461    HB   THR  90           HB       THR  90   1.899  11.697  -2.033
  462    HG1  THR  90           HG1      THR  90   0.170  10.677  -0.579
  463   1HG2  THR  90          1HG2      THR  90   0.558  13.727  -2.148
  464   2HG2  THR  90          2HG2      THR  90   0.390  12.937  -0.581
  465   3HG2  THR  90          3HG2      THR  90  -0.894  12.795  -1.782
  466    H    MET  91           H        MET  91   2.913  12.299  -4.100
  467    HA   MET  91           HA       MET  91   4.122   9.678  -4.059
  468   1HB   MET  91          1HB       MET  91   5.249   9.886  -6.221
  469   2HB   MET  91          2HB       MET  91   3.508   9.783  -6.393
  470   1HG   MET  91          1HG       MET  91   3.395  12.189  -6.776
  471   2HG   MET  91          2HG       MET  91   5.143  12.307  -6.573
  472   1HE   MET  91          1HE       MET  91   5.603  13.437  -8.876
  473   2HE   MET  91          2HE       MET  91   3.856  13.534  -9.113
  474   3HE   MET  91          3HE       MET  91   4.887  12.899 -10.397
  475    H    PHE  92           H        PHE  92   5.762   9.850  -2.828
  476    HA   PHE  92           HA       PHE  92   7.631  12.058  -3.062
  477   1HB   PHE  92          1HB       PHE  92   5.966  12.882  -1.442
  478   2HB   PHE  92          2HB       PHE  92   6.163  11.422  -0.483
  479    HD1  PHE  92           HD1      PHE  92   8.050  14.352  -1.770
  480    HD2  PHE  92           HD2      PHE  92   7.699  11.381   1.255
  481    HE1  PHE  92           HE1      PHE  92   9.841  15.450  -0.491
  482    HE2  PHE  92           HE2      PHE  92   9.483  12.477   2.544
  483    HZ   PHE  92           HZ       PHE  92  10.524  14.530   1.706
  484    H    GLU  93           H        GLU  93   9.699  11.452  -2.424
  485    HA   GLU  93           HA       GLU  93   9.969   8.653  -1.623
  486   1HB   GLU  93          1HB       GLU  93  12.116  10.626  -2.444
  487   2HB   GLU  93          2HB       GLU  93  12.360   8.915  -2.121
  488   1HG   GLU  93          1HG       GLU  93  10.618   8.547  -3.985
  489   2HG   GLU  93          2HG       GLU  93  10.965  10.220  -4.418
  490    H    TYR  94           H        TYR  94  10.188   8.155   0.422
  491    HA   TYR  94           HA       TYR  94  10.814  10.332   2.295
  492   1HB   TYR  94          1HB       TYR  94   8.509   9.383   2.406
  493   2HB   TYR  94          2HB       TYR  94   9.208   7.817   2.801
  494    HD1  TYR  94           HD1      TYR  94   9.831   7.290   5.013
  495    HD2  TYR  94           HD2      TYR  94   8.817  11.297   4.013
  496    HE1  TYR  94           HE1      TYR  94   9.812   7.874   7.398
  497    HE2  TYR  94           HE2      TYR  94   8.794  11.894   6.400
  498    HH   TYR  94           HH       TYR  94  10.123   9.945   8.784
  499    H    THR  95           H        THR  95  12.616  10.172   3.417
  500    HA   THR  95           HA       THR  95  14.029   7.624   3.481
  501    HB   THR  95           HB       THR  95  15.648   9.090   4.586
  502    HG1  THR  95           HG1      THR  95  14.517  10.973   4.812
  503   1HG2  THR  95          1HG2      THR  95  15.917   7.991   2.436
  504   2HG2  THR  95          2HG2      THR  95  16.500   9.654   2.369
  505   3HG2  THR  95          3HG2      THR  95  14.937   9.240   1.667
  506    H    PHE  96           H        PHE  96  14.819   6.725   5.369
  507    HA   PHE  96           HA       PHE  96  13.480   7.629   7.831
  508   1HB   PHE  96          1HB       PHE  96  14.432   4.868   7.032
  509   2HB   PHE  96          2HB       PHE  96  13.793   5.275   8.621
  510    HD1  PHE  96           HD1      PHE  96  11.452   5.558   8.978
  511    HD2  PHE  96           HD2      PHE  96  12.964   4.859   5.063
  512    HE1  PHE  96           HE1      PHE  96   9.169   5.095   8.183
  513    HE2  PHE  96           HE2      PHE  96  10.686   4.400   4.261
  514    HZ   PHE  96           HZ       PHE  96   8.785   4.517   5.820
  515    H    ASP  97           H        ASP  97  14.827   8.756   9.033
  516    HA   ASP  97           HA       ASP  97  16.627   9.392  10.244
  517   1HB   ASP  97          1HB       ASP  97  16.457   6.945  10.964
  518   2HB   ASP  97          2HB       ASP  97  17.757   6.620   9.824
  519    H    TYR  98           H        TYR  98  19.352   8.871  10.013
  520    HA   TYR  98           HA       TYR  98  20.125   9.122   7.248
  521   1HB   TYR  98          1HB       TYR  98  21.221  11.379   7.657
  522   2HB   TYR  98          2HB       TYR  98  19.469  11.384   7.499
  523    HD1  TYR  98           HD1      TYR  98  22.255  11.605   9.915
  524    HD2  TYR  98           HD2      TYR  98  18.082  12.144   9.287
  525    HE1  TYR  98           HE1      TYR  98  22.085  12.758  12.075
  526    HE2  TYR  98           HE2      TYR  98  17.905  13.308  11.446
  527    HH   TYR  98           HH       TYR  98  20.675  14.303  13.239
  528    H    GLN  99           H        GLN  99  20.687   8.017  10.219
  529    HA   GLN  99           HA       GLN  99  23.623   8.164   9.968
  530   1HB   GLN  99          1HB       GLN  99  22.577   9.182  12.034
  531   2HB   GLN  99          2HB       GLN  99  22.029   7.567  12.467
  532   1HG   GLN  99          1HG       GLN  99  24.009   7.995  13.688
  533   2HG   GLN  99          2HG       GLN  99  24.420   6.838  12.421
  534   1HE2  GLN  99          1HE2      GLN  99  24.783  10.093  13.559
  535   2HE2  GLN  99          2HE2      GLN  99  26.065  10.540  12.486
  536    H    MET 100           H        MET 100  24.184   6.369   8.882
  537    HA   MET 100           HA       MET 100  24.559   4.178   8.408
  538   1HB   MET 100          1HB       MET 100  23.535   3.696  11.213
  539   2HB   MET 100          2HB       MET 100  24.430   2.542  10.236
  540   1HG   MET 100          1HG       MET 100  26.381   3.979  10.278
  541   2HG   MET 100          2HG       MET 100  25.484   5.197  11.181
  542   1HE   MET 100          1HE       MET 100  24.601   4.843  13.666
  543   2HE   MET 100          2HE       MET 100  24.856   3.366  14.594
  544   3HE   MET 100          3HE       MET 100  23.793   3.351  13.187
  545    H    THR 101           H        THR 101  21.815   5.455   8.124
  546    HA   THR 101           HA       THR 101  20.294   2.961   7.787
  547    HB   THR 101           HB       THR 101  19.218   5.513   8.553
  548    HG1  THR 101           HG1      THR 101  20.598   4.631  10.197
  549   1HG2  THR 101          1HG2      THR 101  18.135   2.705   8.462
  550   2HG2  THR 101          2HG2      THR 101  17.668   4.045   7.414
  551   3HG2  THR 101          3HG2      THR 101  17.300   4.100   9.139
  552    HA   PRO 102           HA       PRO 102  20.031   5.156   3.809
  553   1HB   PRO 102          1HB       PRO 102  20.602   3.084   2.238
  554   2HB   PRO 102          2HB       PRO 102  21.869   3.886   3.176
  555   1HG   PRO 102          1HG       PRO 102  20.506   1.285   3.672
  556   2HG   PRO 102          2HG       PRO 102  22.186   1.752   3.981
  557   1HD   PRO 102          1HD       PRO 102  20.090   1.688   5.862
  558   2HD   PRO 102          2HD       PRO 102  21.686   2.431   6.085
  559    H    THR 103           H        THR 103  17.829   3.848   5.428
  560    HA   THR 103           HA       THR 103  16.260   2.320   3.587
  561    HB   THR 103           HB       THR 103  15.385   3.745   5.916
  562    HG1  THR 103           HG1      THR 103  16.942   1.398   5.558
  563   1HG2  THR 103          1HG2      THR 103  13.864   1.820   6.033
  564   2HG2  THR 103          2HG2      THR 103  14.514   1.227   4.504
  565   3HG2  THR 103          3HG2      THR 103  13.636   2.757   4.557
  566    H    LYS 104           H        LYS 104  15.764   3.441   1.780
  567    HA   LYS 104           HA       LYS 104  14.127   5.871   2.106
  568   1HB   LYS 104          1HB       LYS 104  16.299   6.347   1.026
  569   2HB   LYS 104          2HB       LYS 104  15.951   5.133  -0.198
  570   1HG   LYS 104          1HG       LYS 104  13.900   6.510  -0.775
  571   2HG   LYS 104          2HG       LYS 104  14.597   7.779   0.233
  572   1HD   LYS 104          1HD       LYS 104  15.861   6.522  -2.203
  573   2HD   LYS 104          2HD       LYS 104  15.182   8.147  -2.090
  574   1HE   LYS 104          1HE       LYS 104  16.875   8.778  -0.480
  575   2HE   LYS 104          2HE       LYS 104  17.510   7.134  -0.461
  576   1HZ   LYS 104          1HZ       LYS 104  18.019   7.408  -2.851
  577   2HZ   LYS 104          2HZ       LYS 104  18.884   8.473  -1.856
  578   3HZ   LYS 104          3HZ       LYS 104  17.553   9.036  -2.741
  579    H    VAL 105           H        VAL 105  12.112   5.763   1.233
  580    HA   VAL 105           HA       VAL 105  11.629   3.733  -0.817
  581    HB   VAL 105           HB       VAL 105   9.453   3.555  -0.058
  582   1HG1  VAL 105          1HG1      VAL 105  11.682   2.741   1.809
  583   2HG1  VAL 105          2HG1      VAL 105  11.124   1.855   0.388
  584   3HG1  VAL 105          3HG1      VAL 105  10.064   2.036   1.786
  585   1HG2  VAL 105          1HG2      VAL 105  10.506   5.030   2.344
  586   2HG2  VAL 105          2HG2      VAL 105   8.974   4.159   2.272
  587   3HG2  VAL 105          3HG2      VAL 105   9.237   5.571   1.247
  588    H    LYS 106           H        LYS 106   9.843   4.179  -2.192
  589    HA   LYS 106           HA       LYS 106   9.146   7.033  -2.364
  590   1HB   LYS 106          1HB       LYS 106  10.497   6.125  -4.293
  591   2HB   LYS 106          2HB       LYS 106   9.167   5.025  -4.634
  592   1HG   LYS 106          1HG       LYS 106   7.772   7.262  -4.678
  593   2HG   LYS 106          2HG       LYS 106   9.349   7.968  -5.024
  594   1HD   LYS 106          1HD       LYS 106   8.001   5.768  -6.585
  595   2HD   LYS 106          2HD       LYS 106   8.140   7.454  -7.077
  596   1HE   LYS 106          1HE       LYS 106  10.465   5.593  -6.601
  597   2HE   LYS 106          2HE       LYS 106   9.783   5.969  -8.180
  598   1HZ   LYS 106          1HZ       LYS 106  11.708   7.318  -7.810
  599   2HZ   LYS 106          2HZ       LYS 106  11.120   7.871  -6.326
  600   3HZ   LYS 106          3HZ       LYS 106  10.346   8.329  -7.766
  601    H    VAL 107           H        VAL 107   7.032   7.464  -2.011
  602    HA   VAL 107           HA       VAL 107   5.181   5.177  -2.177
  603    HB   VAL 107           HB       VAL 107   3.741   6.665  -0.912
  604   1HG1  VAL 107          1HG1      VAL 107   4.635   4.534  -0.164
  605   2HG1  VAL 107          2HG1      VAL 107   4.756   5.719   1.136
  606   3HG1  VAL 107          3HG1      VAL 107   6.188   5.283   0.203
  607   1HG2  VAL 107          1HG2      VAL 107   5.155   8.665  -1.030
  608   2HG2  VAL 107          2HG2      VAL 107   6.430   7.801  -0.171
  609   3HG2  VAL 107          3HG2      VAL 107   4.891   8.124   0.627
  610    H    HIS 108           H        HIS 108   4.287   5.229  -4.137
  611    HA   HIS 108           HA       HIS 108   2.967   7.759  -4.862
  612   1HB   HIS 108          1HB       HIS 108   4.539   6.855  -6.587
  613   2HB   HIS 108          2HB       HIS 108   3.541   5.407  -6.684
  614    HD1  HIS 108           HD1      HIS 108   2.871   5.814  -9.141
  615    HD2  HIS 108           HD2      HIS 108   1.875   8.944  -6.587
  616    HE1  HIS 108           HE1      HIS 108   1.334   7.306 -10.460
  617    HE2  HIS 108           HE2      HIS 108   0.908   9.289  -8.957
  618    H    MET 109           H        MET 109   1.039   7.729  -4.003
  619    HA   MET 109           HA       MET 109  -0.582   5.277  -4.255
  620   1HB   MET 109          1HB       MET 109  -0.630   7.411  -2.107
  621   2HB   MET 109          2HB       MET 109  -1.825   6.128  -2.250
  622   1HG   MET 109          1HG       MET 109  -0.191   4.453  -1.788
  623   2HG   MET 109          2HG       MET 109   1.119   5.628  -1.885
  624   1HE   MET 109          1HE       MET 109   1.524   7.537  -0.134
  625   2HE   MET 109          2HE       MET 109   0.515   7.813   1.284
  626   3HE   MET 109          3HE       MET 109  -0.132   8.114  -0.328
  627    H    LYS 110           H        LYS 110  -2.711   5.532  -4.971
  628    HA   LYS 110           HA       LYS 110  -3.602   8.231  -5.536
  629   1HB   LYS 110          1HB       LYS 110  -4.027   7.767  -7.931
  630   2HB   LYS 110          2HB       LYS 110  -2.316   7.799  -7.536
  631   1HG   LYS 110          1HG       LYS 110  -2.240   5.373  -7.567
  632   2HG   LYS 110          2HG       LYS 110  -3.973   5.310  -7.893
  633   1HD   LYS 110          1HD       LYS 110  -1.912   6.599  -9.681
  634   2HD   LYS 110          2HD       LYS 110  -2.611   4.996  -9.928
  635   1HE   LYS 110          1HE       LYS 110  -4.821   5.976 -10.169
  636   2HE   LYS 110          2HE       LYS 110  -4.171   7.580  -9.834
  637   1HZ   LYS 110          1HZ       LYS 110  -2.805   7.374 -11.842
  638   2HZ   LYS 110          2HZ       LYS 110  -4.460   7.287 -12.190
  639   3HZ   LYS 110          3HZ       LYS 110  -3.520   5.875 -12.180
  640    H    LYS 111           H        LYS 111  -5.677   8.365  -5.109
  641    HA   LYS 111           HA       LYS 111  -7.317   6.306  -4.418
  642   1HB   LYS 111          1HB       LYS 111  -7.751   8.589  -3.913
  643   2HB   LYS 111          2HB       LYS 111  -7.841   9.008  -5.610
  644   1HG   LYS 111          1HG       LYS 111  -9.874   7.583  -5.798
  645   2HG   LYS 111          2HG       LYS 111  -9.818   7.367  -4.045
  646   1HD   LYS 111          1HD       LYS 111 -10.198   9.644  -3.642
  647   2HD   LYS 111          2HD       LYS 111  -9.819  10.087  -5.309
  648   1HE   LYS 111          1HE       LYS 111 -11.846   8.842  -6.034
  649   2HE   LYS 111          2HE       LYS 111 -12.237   8.562  -4.338
  650   1HZ   LYS 111          1HZ       LYS 111 -12.471  10.900  -3.989
  651   2HZ   LYS 111          2HZ       LYS 111 -13.411  10.478  -5.335
  652   3HZ   LYS 111          3HZ       LYS 111 -11.917  11.251  -5.551
  653    H    ALA 112           H        ALA 112  -7.979   4.650  -5.546
  654    HA   ALA 112           HA       ALA 112  -7.662   4.381  -8.315
  655   1HB   ALA 112          1HB       ALA 112  -7.648   2.465  -6.844
  656   2HB   ALA 112          2HB       ALA 112  -8.913   2.280  -8.058
  657   3HB   ALA 112          3HB       ALA 112  -9.333   2.746  -6.409
  658    H    LEU 113           H        LEU 113  -9.204   4.366  -9.980
  659    HA   LEU 113           HA       LEU 113 -11.231   6.317  -9.747
  660   1HB   LEU 113          1HB       LEU 113 -11.775   5.838 -12.075
  661   2HB   LEU 113          2HB       LEU 113 -10.059   6.045 -11.834
  662    HG   LEU 113           HG       LEU 113 -10.387   4.337 -13.463
  663   1HD1  LEU 113          1HD1      LEU 113  -9.304   2.393 -12.489
  664   2HD1  LEU 113          2HD1      LEU 113  -9.637   3.016 -10.873
  665   3HD1  LEU 113          3HD1      LEU 113  -8.557   3.900 -11.952
  666   1HD2  LEU 113          1HD2      LEU 113 -12.171   2.931 -11.494
  667   2HD2  LEU 113          2HD2      LEU 113 -11.641   2.280 -13.046
  668   3HD2  LEU 113          3HD2      LEU 113 -12.668   3.713 -12.996
  669    H    SER 114           H        SER 114 -11.352   3.339  -8.513
  670    HA   SER 114           HA       SER 114 -14.079   2.702  -9.312
  671   1HB   SER 114          1HB       SER 114 -12.297   0.932  -9.100
  672   2HB   SER 114          2HB       SER 114 -12.300   1.222  -7.361
  673    HG   SER 114           HG       SER 114 -14.474   0.584  -7.304
  674    H    GLY 115           H        GLY 115 -12.854   4.866  -7.265
  675   1HA   GLY 115          1HA       GLY 115 -14.215   6.116  -5.785
  676   2HA   GLY 115          2HA       GLY 115 -15.214   4.692  -5.537
  677    H    ASP 116           H        ASP 116 -14.903   3.536  -3.719
  678    HA   ASP 116           HA       ASP 116 -12.898   4.391  -1.861
  679   1HB   ASP 116          1HB       ASP 116 -15.005   3.692  -0.947
  680   2HB   ASP 116          2HB       ASP 116 -14.884   2.119  -1.735
  681    H    SER 117           H        SER 117 -11.005   4.026  -2.923
  682    HA   SER 117           HA       SER 117  -9.638   1.693  -2.250
  683   1HB   SER 117          1HB       SER 117  -9.150   0.973  -4.668
  684   2HB   SER 117          2HB       SER 117 -10.662   0.449  -3.931
  685    HG   SER 117           HG       SER 117 -11.118   2.795  -5.058
  686    H    TYR 118           H        TYR 118  -7.413   1.862  -2.806
  687    HA   TYR 118           HA       TYR 118  -6.525   4.263  -4.205
  688   1HB   TYR 118          1HB       TYR 118  -5.560   3.761  -1.378
  689   2HB   TYR 118          2HB       TYR 118  -5.259   5.171  -2.397
  690    HD1  TYR 118           HD1      TYR 118  -7.553   3.549  -0.129
  691    HD2  TYR 118           HD2      TYR 118  -7.001   6.821  -2.754
  692    HE1  TYR 118           HE1      TYR 118  -9.463   4.696   0.930
  693    HE2  TYR 118           HE2      TYR 118  -8.909   7.996  -1.720
  694    HH   TYR 118           HH       TYR 118 -10.303   7.001   1.210
  695    H    TRP 119           H        TRP 119  -4.551   3.947  -5.190
  696    HA   TRP 119           HA       TRP 119  -3.495   1.257  -5.021
  697   1HB   TRP 119          1HB       TRP 119  -2.818   3.642  -6.741
  698   2HB   TRP 119          2HB       TRP 119  -1.982   2.080  -6.846
  699    HD1  TRP 119           HD1      TRP 119  -5.647   3.417  -7.216
  700    HE1  TRP 119           HE1      TRP 119  -6.751   2.035  -9.107
  701    HE3  TRP 119           HE3      TRP 119  -1.781   0.267  -8.298
  702    HZ2  TRP 119           HZ2      TRP 119  -6.052  -0.098 -10.821
  703    HZ3  TRP 119           HZ3      TRP 119  -2.053  -1.385 -10.053
  704    HH2  TRP 119           HH2      TRP 119  -4.147  -1.580 -11.310
  705    H    VAL 120           H        VAL 120  -1.226   0.905  -4.861
  706    HA   VAL 120           HA       VAL 120   0.281   2.889  -3.305
  707    HB   VAL 120           HB       VAL 120  -0.037   0.092  -2.701
  708   1HG1  VAL 120          1HG1      VAL 120   1.319   0.683  -0.725
  709   2HG1  VAL 120          2HG1      VAL 120   1.571   2.294  -1.394
  710   3HG1  VAL 120          3HG1      VAL 120   2.216   0.880  -2.230
  711   1HG2  VAL 120          1HG2      VAL 120  -2.012   1.343  -2.089
  712   2HG2  VAL 120          2HG2      VAL 120  -1.019   2.554  -1.279
  713   3HG2  VAL 120          3HG2      VAL 120  -1.088   0.907  -0.653
  714    H    PHE 121           H        PHE 121   1.889   3.241  -4.783
  715    HA   PHE 121           HA       PHE 121   3.339   0.868  -5.769
  716   1HB   PHE 121          1HB       PHE 121   3.475   3.707  -6.795
  717   2HB   PHE 121          2HB       PHE 121   4.259   2.307  -7.504
  718    HD1  PHE 121           HD1      PHE 121   1.298   4.314  -7.396
  719    HD2  PHE 121           HD2      PHE 121   2.815   0.494  -8.500
  720    HE1  PHE 121           HE1      PHE 121  -0.653   3.966  -8.855
  721    HE2  PHE 121           HE2      PHE 121   0.867   0.139  -9.959
  722    HZ   PHE 121           HZ       PHE 121  -0.869   1.876 -10.141
  723    H    VAL 122           H        VAL 122   5.147   0.459  -4.644
  724    HA   VAL 122           HA       VAL 122   6.520   2.751  -3.419
  725    HB   VAL 122           HB       VAL 122   7.441   1.253  -1.913
  726   1HG1  VAL 122          1HG1      VAL 122   5.582   2.726  -1.366
  727   2HG1  VAL 122          2HG1      VAL 122   5.401   1.171  -0.553
  728   3HG1  VAL 122          3HG1      VAL 122   4.440   1.534  -1.986
  729   1HG2  VAL 122          1HG2      VAL 122   5.389  -0.634  -3.032
  730   2HG2  VAL 122          2HG2      VAL 122   6.282  -0.866  -1.529
  731   3HG2  VAL 122          3HG2      VAL 122   7.138  -0.844  -3.070
  732    H    LYS 123           H        LYS 123   8.763   2.672  -3.262
  733    HA   LYS 123           HA       LYS 123  10.193   0.717  -4.845
  734   1HB   LYS 123          1HB       LYS 123   9.554   2.541  -6.416
  735   2HB   LYS 123          2HB       LYS 123  10.403   3.685  -5.391
  736   1HG   LYS 123          1HG       LYS 123  11.875   1.335  -6.494
  737   2HG   LYS 123          2HG       LYS 123  11.534   2.717  -7.533
  738   1HD   LYS 123          1HD       LYS 123  13.069   2.749  -4.931
  739   2HD   LYS 123          2HD       LYS 123  13.737   2.949  -6.553
  740   1HE   LYS 123          1HE       LYS 123  12.215   4.957  -6.783
  741   2HE   LYS 123          2HE       LYS 123  11.913   4.814  -5.054
  742   1HZ   LYS 123          1HZ       LYS 123  13.620   6.386  -5.320
  743   2HZ   LYS 123          2HZ       LYS 123  14.477   5.413  -6.410
  744   3HZ   LYS 123          3HZ       LYS 123  14.399   4.974  -4.775
  745    H    ARG 124           H        ARG 124  11.618   0.011  -3.432
  746    HA   ARG 124           HA       ARG 124  12.591   1.748  -1.323
  747   1HB   ARG 124          1HB       ARG 124  13.451  -1.096  -1.860
  748   2HB   ARG 124          2HB       ARG 124  13.491  -0.221  -0.336
  749   1HG   ARG 124          1HG       ARG 124  11.093  -0.277  -0.180
  750   2HG   ARG 124          2HG       ARG 124  10.971  -1.003  -1.784
  751   1HD   ARG 124          1HD       ARG 124  12.403  -2.893  -0.844
  752   2HD   ARG 124          2HD       ARG 124  12.045  -2.216   0.744
  753    HE   ARG 124           HE       ARG 124   9.738  -2.748  -0.917
  754   1HH1  ARG 124          1HH1      ARG 124  11.882  -3.900   1.583
  755   2HH1  ARG 124          2HH1      ARG 124  10.809  -5.163   2.114
  756   1HH2  ARG 124          1HH2      ARG 124   8.313  -4.434  -0.254
  757   2HH2  ARG 124          2HH2      ARG 124   8.784  -5.474   1.058
  758    H    VAL 125           H        VAL 125  14.411   2.809  -1.373
  759    HA   VAL 125           HA       VAL 125  16.427   3.626  -1.930
  760    HB   VAL 125           HB       VAL 125  16.909   1.023  -3.042
  761   1HG1  VAL 125          1HG1      VAL 125  18.706   3.213  -2.001
  762   2HG1  VAL 125          2HG1      VAL 125  18.503   2.771  -3.697
  763   3HG1  VAL 125          3HG1      VAL 125  19.227   1.627  -2.567
  764   1HG2  VAL 125          1HG2      VAL 125  17.214   2.087  -0.243
  765   2HG2  VAL 125          2HG2      VAL 125  17.869   0.560  -0.832
  766   3HG2  VAL 125          3HG2      VAL 125  16.123   0.804  -0.771
  767    H2   HC4 169           H2       HC4 169  -0.889  -9.845  19.495
  768    H3   HC4 169           H3       HC4 169  -0.012 -10.885  17.810
  769    H2'  HC4 169           H2'      HC4 169   1.343 -11.288  15.864
  770    H3'  HC4 169           H3'      HC4 169   3.019 -10.654  14.188
  771    H5'  HC4 169           H5'      HC4 169   3.229  -6.756  15.892
  772    H6'  HC4 169           H6'      HC4 169   1.594  -7.419  17.592
  773   'HO4  HC4 169          'HO4      HC4 169   3.840  -8.569  13.115
  Start of MODEL    3
    1    H    LEU  26           H        LEU  26  10.043  -7.765 -14.239
    2    HA   LEU  26           HA       LEU  26   9.970  -8.729 -12.149
    3   1HB   LEU  26          1HB       LEU  26  12.109  -8.732 -10.730
    4   2HB   LEU  26          2HB       LEU  26  11.926  -9.959 -11.966
    5    HG   LEU  26           HG       LEU  26  13.379  -8.524 -13.459
    6   1HD1  LEU  26          1HD1      LEU  26  13.136  -6.400 -12.299
    7   2HD1  LEU  26          2HD1      LEU  26  14.831  -6.885 -12.369
    8   3HD1  LEU  26          3HD1      LEU  26  13.920  -7.077 -10.872
    9   1HD2  LEU  26          1HD2      LEU  26  14.561  -9.571 -10.895
   10   2HD2  LEU  26          2HD2      LEU  26  15.454  -9.250 -12.380
   11   3HD2  LEU  26          3HD2      LEU  26  14.221 -10.511 -12.347
   12    H    ALA  27           H        ALA  27   9.815  -6.060 -13.330
   13    HA   ALA  27           HA       ALA  27  10.675  -4.313 -11.166
   14   1HB   ALA  27          1HB       ALA  27   9.866  -2.477 -12.585
   15   2HB   ALA  27          2HB       ALA  27   9.277  -3.652 -13.761
   16   3HB   ALA  27          3HB       ALA  27  11.006  -3.514 -13.442
   17    H    PHE  28           H        PHE  28   9.371  -4.874  -9.456
   18    HA   PHE  28           HA       PHE  28   6.475  -4.653  -9.848
   19   1HB   PHE  28          1HB       PHE  28   6.357  -5.742  -7.567
   20   2HB   PHE  28          2HB       PHE  28   7.023  -6.737  -8.853
   21    HD1  PHE  28           HD1      PHE  28   9.289  -7.479  -8.806
   22    HD2  PHE  28           HD2      PHE  28   7.815  -4.845  -5.805
   23    HE1  PHE  28           HE1      PHE  28  11.281  -7.930  -7.437
   24    HE2  PHE  28           HE2      PHE  28   9.808  -5.289  -4.434
   25    HZ   PHE  28           HZ       PHE  28  11.545  -6.833  -5.248
   26    H    GLY  29           H        GLY  29   5.629  -4.061  -7.316
   27   1HA   GLY  29          1HA       GLY  29   5.921  -2.350  -5.623
   28   2HA   GLY  29          2HA       GLY  29   6.830  -1.413  -6.798
   29    H    ALA  30           H        ALA  30   3.785  -3.091  -7.342
   30    HA   ALA  30           HA       ALA  30   2.349  -0.552  -7.333
   31   1HB   ALA  30          1HB       ALA  30   3.158  -0.849  -9.639
   32   2HB   ALA  30          2HB       ALA  30   1.400  -0.938  -9.539
   33   3HB   ALA  30          3HB       ALA  30   2.349  -2.415  -9.710
   34    H    ILE  31           H        ILE  31   0.858  -1.042  -5.803
   35    HA   ILE  31           HA       ILE  31  -0.811  -3.390  -6.325
   36    HB   ILE  31           HB       ILE  31   0.615  -3.950  -4.744
   37   1HG1  ILE  31          1HG1      ILE  31  -2.173  -3.481  -3.780
   38   2HG1  ILE  31          2HG1      ILE  31  -1.511  -4.899  -4.588
   39   1HG2  ILE  31          1HG2      ILE  31   1.271  -1.800  -3.843
   40   2HG2  ILE  31          2HG2      ILE  31   0.672  -2.834  -2.547
   41   3HG2  ILE  31          3HG2      ILE  31  -0.353  -1.556  -3.200
   42   1HD1  ILE  31          1HD1      ILE  31  -1.827  -5.295  -2.211
   43   2HD1  ILE  31          2HD1      ILE  31  -0.750  -3.948  -1.841
   44   3HD1  ILE  31          3HD1      ILE  31  -0.122  -5.379  -2.657
   45    H    GLN  32           H        GLN  32  -2.925  -3.161  -5.988
   46    HA   GLN  32           HA       GLN  32  -3.824  -0.520  -5.082
   47   1HB   GLN  32          1HB       GLN  32  -5.909  -0.962  -6.337
   48   2HB   GLN  32          2HB       GLN  32  -4.483  -0.878  -7.352
   49   1HG   GLN  32          1HG       GLN  32  -4.447  -3.230  -7.640
   50   2HG   GLN  32          2HG       GLN  32  -5.716  -3.458  -6.441
   51   1HE2  GLN  32          1HE2      GLN  32  -7.296  -1.189  -7.460
   52   2HE2  GLN  32          2HE2      GLN  32  -7.984  -1.740  -8.938
   53    H    LEU  33           H        LEU  33  -4.981  -0.354  -3.331
   54    HA   LEU  33           HA       LEU  33  -6.346  -2.767  -2.313
   55   1HB   LEU  33          1HB       LEU  33  -5.776  -2.044  -0.015
   56   2HB   LEU  33          2HB       LEU  33  -4.403  -2.561  -0.961
   57    HG   LEU  33           HG       LEU  33  -4.017  -0.038  -1.398
   58   1HD1  LEU  33          1HD1      LEU  33  -5.766   0.099   1.053
   59   2HD1  LEU  33          2HD1      LEU  33  -6.112   0.801  -0.527
   60   3HD1  LEU  33          3HD1      LEU  33  -4.769   1.416   0.436
   61   1HD2  LEU  33          1HD2      LEU  33  -3.566  -1.252   1.324
   62   2HD2  LEU  33          2HD2      LEU  33  -2.717   0.149   0.672
   63   3HD2  LEU  33          3HD2      LEU  33  -2.525  -1.431  -0.089
   64    H    ASP  34           H        ASP  34  -8.127  -2.294  -0.854
   65    HA   ASP  34           HA       ASP  34  -9.608  -0.050  -1.972
   66   1HB   ASP  34          1HB       ASP  34 -11.592  -0.966  -0.983
   67   2HB   ASP  34          2HB       ASP  34 -10.711  -2.260  -1.774
   68    H    GLY  35           H        GLY  35 -10.983   1.271  -0.584
   69   1HA   GLY  35          1HA       GLY  35  -9.349   2.585   1.394
   70   2HA   GLY  35          2HA       GLY  35 -10.954   3.074   0.871
   71    H    ASP  36           H        ASP  36 -10.519  -0.169   1.870
   72    HA   ASP  36           HA       ASP  36 -11.957   0.407   4.372
   73   1HB   ASP  36          1HB       ASP  36 -12.151  -1.749   2.332
   74   2HB   ASP  36          2HB       ASP  36 -12.442  -2.198   4.015
   75    H    GLY  37           H        GLY  37  -9.218  -1.117   2.889
   76   1HA   GLY  37          1HA       GLY  37  -7.239  -1.267   4.385
   77   2HA   GLY  37          2HA       GLY  37  -8.316  -2.015   5.558
   78    H    ASN  38           H        ASN  38  -9.018  -2.911   2.377
   79    HA   ASN  38           HA       ASN  38  -7.710  -5.515   2.826
   80   1HB   ASN  38          1HB       ASN  38 -10.154  -4.865   1.155
   81   2HB   ASN  38          2HB       ASN  38  -9.456  -6.466   1.370
   82   1HD2  ASN  38          1HD2      ASN  38 -11.369  -3.965   2.761
   83   2HD2  ASN  38          2HD2      ASN  38 -11.888  -4.846   4.159
   84    H    ILE  39           H        ILE  39  -6.524  -6.449   1.193
   85    HA   ILE  39           HA       ILE  39  -5.569  -4.674  -0.868
   86    HB   ILE  39           HB       ILE  39  -5.130  -7.472  -0.347
   87   1HG1  ILE  39          1HG1      ILE  39  -4.416  -6.116   1.513
   88   2HG1  ILE  39          2HG1      ILE  39  -3.017  -6.673   0.611
   89   1HG2  ILE  39          1HG2      ILE  39  -3.142  -7.135  -1.760
   90   2HG2  ILE  39          2HG2      ILE  39  -3.691  -5.500  -2.125
   91   3HG2  ILE  39          3HG2      ILE  39  -4.638  -6.887  -2.663
   92   1HD1  ILE  39          1HD1      ILE  39  -2.814  -4.489  -0.441
   93   2HD1  ILE  39          2HD1      ILE  39  -2.755  -4.369   1.317
   94   3HD1  ILE  39          3HD1      ILE  39  -4.225  -3.923   0.450
   95    H    LEU  40           H        LEU  40  -5.978  -4.841  -3.049
   96    HA   LEU  40           HA       LEU  40  -8.300  -6.519  -3.715
   97   1HB   LEU  40          1HB       LEU  40  -8.605  -4.064  -3.874
   98   2HB   LEU  40          2HB       LEU  40  -7.331  -4.004  -5.077
   99    HG   LEU  40           HG       LEU  40  -8.693  -5.394  -6.588
  100   1HD1  LEU  40          1HD1      LEU  40 -11.045  -5.815  -6.052
  101   2HD1  LEU  40          2HD1      LEU  40 -10.792  -5.156  -4.435
  102   3HD1  LEU  40          3HD1      LEU  40  -9.961  -6.632  -4.927
  103   1HD2  LEU  40          1HD2      LEU  40  -8.815  -2.967  -6.747
  104   2HD2  LEU  40          2HD2      LEU  40 -10.106  -2.940  -5.548
  105   3HD2  LEU  40          3HD2      LEU  40 -10.377  -3.698  -7.116
  106    H    GLN  41           H        GLN  41  -5.286  -5.252  -5.151
  107    HA   GLN  41           HA       GLN  41  -4.763  -7.753  -6.465
  108   1HB   GLN  41          1HB       GLN  41  -6.506  -6.849  -7.955
  109   2HB   GLN  41          2HB       GLN  41  -5.553  -5.390  -8.184
  110   1HG   GLN  41          1HG       GLN  41  -5.328  -6.862 -10.089
  111   2HG   GLN  41          2HG       GLN  41  -3.786  -6.704  -9.247
  112   1HE2  GLN  41          1HE2      GLN  41  -2.985  -8.624 -10.056
  113   2HE2  GLN  41          2HE2      GLN  41  -3.579 -10.177  -9.561
  114    H    TYR  42           H        TYR  42  -2.693  -7.900  -7.297
  115    HA   TYR  42           HA       TYR  42  -0.975  -5.547  -6.846
  116   1HB   TYR  42          1HB       TYR  42  -0.580  -7.550  -5.343
  117   2HB   TYR  42          2HB       TYR  42  -0.087  -8.439  -6.782
  118    HD1  TYR  42           HD1      TYR  42   2.114  -8.255  -7.605
  119    HD2  TYR  42           HD2      TYR  42   0.701  -5.463  -4.729
  120    HE1  TYR  42           HE1      TYR  42   4.389  -7.345  -7.382
  121    HE2  TYR  42           HE2      TYR  42   2.971  -4.546  -4.492
  122    HH   TYR  42           HH       TYR  42   5.310  -5.297  -4.864
  123    H    ASN  43           H        ASN  43   0.707  -5.162  -8.319
  124    HA   ASN  43           HA       ASN  43   0.473  -6.549 -10.910
  125   1HB   ASN  43          1HB       ASN  43   0.789  -3.564 -10.501
  126   2HB   ASN  43          2HB       ASN  43   0.778  -4.389 -12.054
  127   1HD2  ASN  43          1HD2      ASN  43  -1.125  -3.368  -9.339
  128   2HD2  ASN  43          2HD2      ASN  43  -2.666  -3.564 -10.096
  129    H    ALA  44           H        ALA  44   2.356  -7.105 -11.825
  130    HA   ALA  44           HA       ALA  44   4.833  -5.811 -10.935
  131   1HB   ALA  44          1HB       ALA  44   4.589  -7.819  -9.546
  132   2HB   ALA  44          2HB       ALA  44   5.956  -7.961 -10.651
  133   3HB   ALA  44          3HB       ALA  44   4.448  -8.808 -11.001
  134    H    ALA  45           H        ALA  45   6.570  -6.012 -12.458
  135    HA   ALA  45           HA       ALA  45   5.608  -6.448 -15.173
  136   1HB   ALA  45          1HB       ALA  45   7.661  -5.369 -15.898
  137   2HB   ALA  45          2HB       ALA  45   8.253  -5.344 -14.239
  138   3HB   ALA  45          3HB       ALA  45   6.842  -4.386 -14.686
  139    H    GLU  46           H        GLU  46   5.496  -8.616 -15.386
  140    HA   GLU  46           HA       GLU  46   6.150 -10.687 -15.971
  141   1HB   GLU  46          1HB       GLU  46   7.890  -9.403 -17.303
  142   2HB   GLU  46          2HB       GLU  46   9.012  -9.751 -15.992
  143   1HG   GLU  46          1HG       GLU  46   9.285 -11.352 -17.779
  144   2HG   GLU  46          2HG       GLU  46   8.660 -12.151 -16.335
  145    H    GLY  47           H        GLY  47   5.709 -11.974 -14.351
  146   1HA   GLY  47          1HA       GLY  47   7.135 -13.516 -12.866
  147   2HA   GLY  47          2HA       GLY  47   7.491 -12.020 -12.011
  148    H    ASP  48           H        ASP  48   4.430 -12.930 -13.476
  149    HA   ASP  48           HA       ASP  48   3.008 -12.198 -11.090
  150   1HB   ASP  48          1HB       ASP  48   1.999 -13.489 -13.638
  151   2HB   ASP  48          2HB       ASP  48   0.991 -12.792 -12.377
  152    H    ILE  49           H        ILE  49   3.373 -13.554  -9.440
  153    HA   ILE  49           HA       ILE  49   3.749 -15.492  -8.282
  154    HB   ILE  49           HB       ILE  49   1.842 -16.786  -8.083
  155   1HG1  ILE  49          1HG1      ILE  49   0.659 -14.820 -10.046
  156   2HG1  ILE  49          2HG1      ILE  49   0.909 -16.535 -10.349
  157   1HG2  ILE  49          1HG2      ILE  49   2.351 -14.873  -6.701
  158   2HG2  ILE  49          2HG2      ILE  49   0.619 -14.935  -7.029
  159   3HG2  ILE  49          3HG2      ILE  49   1.640 -13.787  -7.895
  160   1HD1  ILE  49          1HD1      ILE  49  -1.406 -16.053  -9.788
  161   2HD1  ILE  49          2HD1      ILE  49  -0.897 -15.370  -8.244
  162   3HD1  ILE  49          3HD1      ILE  49  -0.656 -17.086  -8.571
  163    H    THR  50           H        THR  50   5.125 -15.908 -10.479
  164    HA   THR  50           HA       THR  50   4.330 -18.457 -11.652
  165    HB   THR  50           HB       THR  50   6.709 -16.922 -12.115
  166    HG1  THR  50           HG1      THR  50   4.127 -16.237 -12.489
  167   1HG2  THR  50          1HG2      THR  50   5.110 -18.901 -13.730
  168   2HG2  THR  50          2HG2      THR  50   6.691 -19.188 -13.004
  169   3HG2  THR  50          3HG2      THR  50   6.519 -18.007 -14.302
  170    H    GLY  51           H        GLY  51   4.621 -19.758  -9.785
  171   1HA   GLY  51          1HA       GLY  51   6.454 -21.485  -9.433
  172   2HA   GLY  51          2HA       GLY  51   7.432 -20.106  -8.948
  173    H    ARG  52           H        ARG  52   6.703 -18.862  -7.094
  174    HA   ARG  52           HA       ARG  52   4.878 -20.223  -5.266
  175   1HB   ARG  52          1HB       ARG  52   7.645 -19.385  -4.383
  176   2HB   ARG  52          2HB       ARG  52   6.463 -20.311  -3.469
  177   1HG   ARG  52          1HG       ARG  52   6.768 -22.214  -4.894
  178   2HG   ARG  52          2HG       ARG  52   7.813 -21.292  -5.975
  179   1HD   ARG  52          1HD       ARG  52   9.171 -20.936  -3.719
  180   2HD   ARG  52          2HD       ARG  52   8.378 -22.458  -3.306
  181    HE   ARG  52           HE       ARG  52  10.145 -22.049  -5.642
  182   1HH1  ARG  52          1HH1      ARG  52   8.722 -24.150  -3.212
  183   2HH1  ARG  52          2HH1      ARG  52   9.641 -25.542  -3.712
  184   1HH2  ARG  52          1HH2      ARG  52  11.346 -23.861  -6.273
  185   2HH2  ARG  52          2HH2      ARG  52  11.161 -25.373  -5.432
  186    H    ASP  53           H        ASP  53   4.154 -18.789  -3.541
  187    HA   ASP  53           HA       ASP  53   4.664 -15.964  -4.171
  188   1HB   ASP  53          1HB       ASP  53   2.615 -15.423  -2.931
  189   2HB   ASP  53          2HB       ASP  53   2.299 -16.546  -4.245
  190    HA   PRO  54           HA       PRO  54   7.120 -16.165  -0.432
  191   1HB   PRO  54          1HB       PRO  54   8.594 -13.976  -0.944
  192   2HB   PRO  54          2HB       PRO  54   8.882 -15.513  -1.767
  193   1HG   PRO  54          1HG       PRO  54   7.453 -13.078  -2.746
  194   2HG   PRO  54          2HG       PRO  54   8.561 -14.153  -3.616
  195   1HD   PRO  54          1HD       PRO  54   5.817 -14.264  -3.806
  196   2HD   PRO  54          2HD       PRO  54   6.898 -15.632  -4.136
  197    H    LYS  55           H        LYS  55   5.275 -13.464  -1.672
  198    HA   LYS  55           HA       LYS  55   4.860 -12.508   1.077
  199   1HB   LYS  55          1HB       LYS  55   5.100 -10.777  -1.396
  200   2HB   LYS  55          2HB       LYS  55   4.764 -10.208   0.232
  201   1HG   LYS  55          1HG       LYS  55   6.965 -10.984   0.958
  202   2HG   LYS  55          2HG       LYS  55   7.303 -11.542  -0.682
  203   1HD   LYS  55          1HD       LYS  55   7.057  -9.248  -1.506
  204   2HD   LYS  55          2HD       LYS  55   6.729  -8.694   0.137
  205   1HE   LYS  55          1HE       LYS  55   9.282  -9.968  -0.843
  206   2HE   LYS  55          2HE       LYS  55   9.044  -8.259  -0.483
  207   1HZ   LYS  55          1HZ       LYS  55  10.109  -9.229   1.371
  208   2HZ   LYS  55          2HZ       LYS  55   9.024 -10.532   1.426
  209   3HZ   LYS  55          3HZ       LYS  55   8.496  -8.972   1.838
  210    H    GLN  56           H        GLN  56   2.804 -12.879   1.580
  211    HA   GLN  56           HA       GLN  56   0.816 -12.804  -0.585
  212   1HB   GLN  56          1HB       GLN  56   1.160 -14.962   0.731
  213   2HB   GLN  56          2HB       GLN  56   0.456 -14.120   2.107
  214   1HG   GLN  56          1HG       GLN  56  -1.600 -13.760   0.854
  215   2HG   GLN  56          2HG       GLN  56  -0.894 -14.562  -0.547
  216   1HE2  GLN  56          1HE2      GLN  56  -0.606 -16.786  -0.513
  217   2HE2  GLN  56          2HE2      GLN  56  -1.444 -17.800   0.613
  218    H    VAL  57           H        VAL  57   1.727 -10.447   0.518
  219    HA   VAL  57           HA       VAL  57  -0.049  -9.343   2.399
  220    HB   VAL  57           HB       VAL  57   0.346  -7.296   1.392
  221   1HG1  VAL  57          1HG1      VAL  57   2.696  -7.273   2.027
  222   2HG1  VAL  57          2HG1      VAL  57   2.753  -9.031   1.931
  223   3HG1  VAL  57          3HG1      VAL  57   1.752  -8.248   3.152
  224   1HG2  VAL  57          1HG2      VAL  57   2.123  -8.808  -0.511
  225   2HG2  VAL  57          2HG2      VAL  57   1.965  -7.062  -0.364
  226   3HG2  VAL  57          3HG2      VAL  57   0.608  -8.021  -0.945
  227    H    ILE  58           H        ILE  58  -0.299  -9.843  -1.063
  228    HA   ILE  58           HA       ILE  58  -2.872  -8.624  -1.307
  229    HB   ILE  58           HB       ILE  58  -1.423  -8.852  -3.049
  230   1HG1  ILE  58          1HG1      ILE  58  -4.029 -10.339  -3.335
  231   2HG1  ILE  58          2HG1      ILE  58  -3.796  -8.600  -3.471
  232   1HG2  ILE  58          1HG2      ILE  58  -1.900 -11.810  -2.730
  233   2HG2  ILE  58          2HG2      ILE  58  -0.361 -10.962  -2.580
  234   3HG2  ILE  58          3HG2      ILE  58  -1.167 -11.061  -4.145
  235   1HD1  ILE  58          1HD1      ILE  58  -4.028  -9.637  -5.653
  236   2HD1  ILE  58          2HD1      ILE  58  -2.649 -10.685  -5.316
  237   3HD1  ILE  58          3HD1      ILE  58  -2.421  -8.942  -5.456
  238    H    GLY  59           H        GLY  59  -4.874  -9.658  -1.490
  239   1HA   GLY  59          1HA       GLY  59  -6.294 -11.570  -1.327
  240   2HA   GLY  59          2HA       GLY  59  -4.977 -12.436  -0.547
  241    H    LYS  60           H        LYS  60  -4.888  -9.489   0.810
  242    HA   LYS  60           HA       LYS  60  -6.063 -10.328   3.252
  243   1HB   LYS  60          1HB       LYS  60  -4.255  -8.785   3.393
  244   2HB   LYS  60          2HB       LYS  60  -5.021  -7.673   2.263
  245   1HG   LYS  60          1HG       LYS  60  -5.078  -6.845   4.569
  246   2HG   LYS  60          2HG       LYS  60  -6.694  -7.090   3.912
  247   1HD   LYS  60          1HD       LYS  60  -6.920  -8.009   6.011
  248   2HD   LYS  60          2HD       LYS  60  -6.487  -9.431   5.061
  249   1HE   LYS  60          1HE       LYS  60  -5.187  -9.495   7.051
  250   2HE   LYS  60          2HE       LYS  60  -4.102  -9.040   5.738
  251   1HZ   LYS  60          1HZ       LYS  60  -5.384  -7.048   7.532
  252   2HZ   LYS  60          2HZ       LYS  60  -4.091  -6.804   6.455
  253   3HZ   LYS  60          3HZ       LYS  60  -3.871  -7.737   7.852
  254    H    ASN  61           H        ASN  61  -8.175 -10.882   2.767
  255    HA   ASN  61           HA       ASN  61  -9.973  -8.549   2.588
  256   1HB   ASN  61          1HB       ASN  61 -10.210 -11.251   1.300
  257   2HB   ASN  61          2HB       ASN  61 -11.663 -10.357   1.722
  258   1HD2  ASN  61          1HD2      ASN  61  -8.745  -8.744   0.685
  259   2HD2  ASN  61          2HD2      ASN  61  -9.339  -8.245  -0.859
  260    H    PHE  62           H        PHE  62 -10.316  -8.275   4.720
  261    HA   PHE  62           HA       PHE  62 -11.675 -10.395   6.177
  262   1HB   PHE  62          1HB       PHE  62  -9.023  -9.227   7.018
  263   2HB   PHE  62          2HB       PHE  62 -10.121  -9.972   8.173
  264    HD1  PHE  62           HD1      PHE  62 -10.695 -12.402   7.889
  265    HD2  PHE  62           HD2      PHE  62  -7.593 -10.508   5.676
  266    HE1  PHE  62           HE1      PHE  62  -9.716 -14.601   7.383
  267    HE2  PHE  62           HE2      PHE  62  -6.615 -12.703   5.162
  268    HZ   PHE  62           HZ       PHE  62  -7.676 -14.754   6.014
  269    H    PHE  63           H        PHE  63 -13.266  -9.558   7.361
  270    HA   PHE  63           HA       PHE  63 -13.281  -6.657   7.792
  271   1HB   PHE  63          1HB       PHE  63 -15.475  -8.730   7.879
  272   2HB   PHE  63          2HB       PHE  63 -15.709  -7.074   8.427
  273    HD1  PHE  63           HD1      PHE  63 -15.976  -5.287   6.878
  274    HD2  PHE  63           HD2      PHE  63 -14.997  -9.195   5.507
  275    HE1  PHE  63           HE1      PHE  63 -16.479  -4.599   4.571
  276    HE2  PHE  63           HE2      PHE  63 -15.502  -8.513   3.197
  277    HZ   PHE  63           HZ       PHE  63 -16.232  -6.188   2.731
  278    H    LYS  64           H        LYS  64 -12.231  -9.274   9.342
  279    HA   LYS  64           HA       LYS  64 -13.132  -8.485  12.012
  280   1HB   LYS  64          1HB       LYS  64 -11.315 -10.769  11.213
  281   2HB   LYS  64          2HB       LYS  64 -12.032 -10.505  12.795
  282   1HG   LYS  64          1HG       LYS  64 -13.476 -11.215  10.254
  283   2HG   LYS  64          2HG       LYS  64 -13.218 -12.250  11.658
  284   1HD   LYS  64          1HD       LYS  64 -14.510 -10.514  12.987
  285   2HD   LYS  64          2HD       LYS  64 -14.968  -9.815  11.433
  286   1HE   LYS  64          1HE       LYS  64 -15.547 -12.603  12.422
  287   2HE   LYS  64          2HE       LYS  64 -16.710 -11.303  12.170
  288   1HZ   LYS  64          1HZ       LYS  64 -16.693 -12.964  10.375
  289   2HZ   LYS  64          2HZ       LYS  64 -15.093 -12.552  10.014
  290   3HZ   LYS  64          3HZ       LYS  64 -16.324 -11.407   9.814
  291    H    ASP  65           H        ASP  65 -10.616  -7.914   9.848
  292    HA   ASP  65           HA       ASP  65  -8.398  -7.868  11.634
  293   1HB   ASP  65          1HB       ASP  65  -8.429  -8.107   9.055
  294   2HB   ASP  65          2HB       ASP  65  -8.541  -6.351   9.040
  295    H    VAL  66           H        VAL  66  -8.158  -6.437  13.219
  296    HA   VAL  66           HA       VAL  66  -8.944  -3.650  12.761
  297    HB   VAL  66           HB       VAL  66 -10.669  -4.765  13.709
  298   1HG1  VAL  66          1HG1      VAL  66  -8.765  -5.371  15.964
  299   2HG1  VAL  66          2HG1      VAL  66  -9.534  -6.540  14.891
  300   3HG1  VAL  66          3HG1      VAL  66 -10.515  -5.597  16.012
  301   1HG2  VAL  66          1HG2      VAL  66 -10.365  -2.435  14.172
  302   2HG2  VAL  66          2HG2      VAL  66  -9.272  -2.806  15.505
  303   3HG2  VAL  66          3HG2      VAL  66 -10.975  -3.254  15.610
  304    H    ALA  67           H        ALA  67  -6.947  -5.965  14.410
  305    HA   ALA  67           HA       ALA  67  -5.959  -4.839  16.624
  306   1HB   ALA  67          1HB       ALA  67  -3.892  -6.030  16.272
  307   2HB   ALA  67          2HB       ALA  67  -4.234  -6.168  14.547
  308   3HB   ALA  67          3HB       ALA  67  -5.254  -7.005  15.718
  309    HA   PRO  68           HA       PRO  68  -3.906  -1.039  15.244
  310   1HB   PRO  68          1HB       PRO  68  -3.966  -0.387  18.084
  311   2HB   PRO  68          2HB       PRO  68  -4.738   0.456  16.739
  312   1HG   PRO  68          1HG       PRO  68  -6.137  -0.905  18.625
  313   2HG   PRO  68          2HG       PRO  68  -6.695  -0.730  16.951
  314   1HD   PRO  68          1HD       PRO  68  -5.339  -3.057  18.266
  315   2HD   PRO  68          2HD       PRO  68  -6.700  -3.045  17.123
  316    H    CYS  69           H        CYS  69  -3.286  -3.195  17.954
  317    HA   CYS  69           HA       CYS  69  -1.407  -4.035  18.893
  318   1HB   CYS  69          1HB       CYS  69  -0.109  -3.085  16.336
  319   2HB   CYS  69          2HB       CYS  69   0.623  -4.187  17.496
  320    H    THR  70           H        THR  70   0.986  -3.435  19.487
  321    HA   THR  70           HA       THR  70   1.074  -0.726  20.450
  322    HB   THR  70           HB       THR  70   3.344  -1.373  20.921
  323    HG1  THR  70           HG1      THR  70   3.927  -3.310  20.316
  324   1HG2  THR  70          1HG2      THR  70   1.570  -1.246  22.562
  325   2HG2  THR  70          2HG2      THR  70   2.563  -2.677  22.843
  326   3HG2  THR  70          3HG2      THR  70   0.981  -2.836  22.078
  327    H    ASP  71           H        ASP  71   2.856  -2.673  18.075
  328    HA   ASP  71           HA       ASP  71   4.082  -0.382  16.844
  329   1HB   ASP  71          1HB       ASP  71   3.839  -3.271  15.980
  330   2HB   ASP  71          2HB       ASP  71   4.697  -2.047  15.050
  331    H    SER  72           H        SER  72   2.880   1.019  15.749
  332    HA   SER  72           HA       SER  72   0.236   0.414  14.879
  333   1HB   SER  72          1HB       SER  72   0.885   2.660  15.646
  334   2HB   SER  72          2HB       SER  72   1.975   2.822  14.272
  335    HG   SER  72           HG       SER  72   0.018   2.480  12.954
  336    HA   PRO  73           HA       PRO  73   0.965  -1.283  10.823
  337   1HB   PRO  73          1HB       PRO  73  -1.590   0.089  10.173
  338   2HB   PRO  73          2HB       PRO  73  -1.143  -1.610   9.978
  339   1HG   PRO  73          1HG       PRO  73  -2.799  -0.849  11.922
  340   2HG   PRO  73          2HG       PRO  73  -1.592  -2.121  12.193
  341   1HD   PRO  73          1HD       PRO  73  -1.563   0.739  13.062
  342   2HD   PRO  73          2HD       PRO  73  -1.001  -0.709  13.922
  343    H    GLU  74           H        GLU  74   1.213  -0.566   8.600
  344    HA   GLU  74           HA       GLU  74   2.631   1.888   8.486
  345   1HB   GLU  74          1HB       GLU  74   1.751   0.050   6.252
  346   2HB   GLU  74          2HB       GLU  74   2.914   1.359   6.088
  347   1HG   GLU  74          1HG       GLU  74   4.405   0.233   7.663
  348   2HG   GLU  74          2HG       GLU  74   3.233  -1.071   7.837
  349    H    PHE  75           H        PHE  75   1.912   3.865   8.116
  350    HA   PHE  75           HA       PHE  75  -0.834   4.280   7.298
  351   1HB   PHE  75          1HB       PHE  75  -0.466   6.623   7.797
  352   2HB   PHE  75          2HB       PHE  75   0.169   5.640   9.108
  353    HD1  PHE  75           HD1      PHE  75   2.632   5.357   9.344
  354    HD2  PHE  75           HD2      PHE  75   0.916   8.064   6.549
  355    HE1  PHE  75           HE1      PHE  75   4.787   6.534   9.169
  356    HE2  PHE  75           HE2      PHE  75   3.064   9.245   6.363
  357    HZ   PHE  75           HZ       PHE  75   5.005   8.480   7.673
  358    H    TYR  76           H        TYR  76   1.957   3.756   5.674
  359    HA   TYR  76           HA       TYR  76   2.724   4.082   3.568
  360   1HB   TYR  76          1HB       TYR  76  -0.206   4.523   2.966
  361   2HB   TYR  76          2HB       TYR  76   1.040   4.155   1.780
  362    HD1  TYR  76           HD1      TYR  76   2.372   1.925   2.230
  363    HD2  TYR  76           HD2      TYR  76  -1.475   2.795   3.828
  364    HE1  TYR  76           HE1      TYR  76   1.960  -0.479   2.538
  365    HE2  TYR  76           HE2      TYR  76  -1.894   0.393   4.144
  366    HH   TYR  76           HH       TYR  76  -1.117  -1.745   3.240
  367    H    GLY  77           H        GLY  77   0.268   6.196   2.434
  368   1HA   GLY  77          1HA       GLY  77   2.150   8.454   2.717
  369   2HA   GLY  77          2HA       GLY  77   1.077   8.226   1.340
  370    H    LYS  78           H        LYS  78   0.834   8.347   4.874
  371    HA   LYS  78           HA       LYS  78  -0.640   9.331   6.292
  372   1HB   LYS  78          1HB       LYS  78  -1.117  11.235   3.985
  373   2HB   LYS  78          2HB       LYS  78  -1.618  11.498   5.649
  374   1HG   LYS  78          1HG       LYS  78   0.731  11.528   6.345
  375   2HG   LYS  78          2HG       LYS  78   1.220  11.294   4.664
  376   1HD   LYS  78          1HD       LYS  78   0.088  13.393   4.062
  377   2HD   LYS  78          2HD       LYS  78  -0.351  13.631   5.754
  378   1HE   LYS  78          1HE       LYS  78   2.438  13.531   4.612
  379   2HE   LYS  78          2HE       LYS  78   1.593  14.962   5.202
  380   1HZ   LYS  78          1HZ       LYS  78   2.812  14.448   7.028
  381   2HZ   LYS  78          2HZ       LYS  78   2.852  12.790   6.695
  382   3HZ   LYS  78          3HZ       LYS  78   1.455  13.485   7.368
  383    H    PHE  79           H        PHE  79  -1.502   7.117   4.851
  384    HA   PHE  79           HA       PHE  79  -3.772   7.210   3.327
  385   1HB   PHE  79          1HB       PHE  79  -2.471   5.171   3.837
  386   2HB   PHE  79          2HB       PHE  79  -3.144   5.158   5.461
  387    HD1  PHE  79           HD1      PHE  79  -5.346   4.323   5.879
  388    HD2  PHE  79           HD2      PHE  79  -3.896   4.688   1.895
  389    HE1  PHE  79           HE1      PHE  79  -7.230   2.961   5.069
  390    HE2  PHE  79           HE2      PHE  79  -5.776   3.331   1.081
  391    HZ   PHE  79           HZ       PHE  79  -7.447   2.467   2.667
  392    H    LYS  80           H        LYS  80  -3.541   7.679   6.781
  393    HA   LYS  80           HA       LYS  80  -6.225   7.181   7.479
  394   1HB   LYS  80          1HB       LYS  80  -4.452   7.216   9.147
  395   2HB   LYS  80          2HB       LYS  80  -4.110   8.900   8.799
  396   1HG   LYS  80          1HG       LYS  80  -6.831   8.151   9.750
  397   2HG   LYS  80          2HG       LYS  80  -5.498   8.208  10.904
  398   1HD   LYS  80          1HD       LYS  80  -5.025  10.522  10.212
  399   2HD   LYS  80          2HD       LYS  80  -6.393  10.456   9.099
  400   1HE   LYS  80          1HE       LYS  80  -7.896  10.057  11.002
  401   2HE   LYS  80          2HE       LYS  80  -6.521  10.171  12.101
  402   1HZ   LYS  80          1HZ       LYS  80  -7.562  12.332  10.344
  403   2HZ   LYS  80          2HZ       LYS  80  -6.169  12.454  11.299
  404   3HZ   LYS  80          3HZ       LYS  80  -7.681  12.258  12.036
  405    H    GLU  81           H        GLU  81  -4.512  10.121   6.532
  406    HA   GLU  81           HA       GLU  81  -6.966  11.688   6.712
  407   1HB   GLU  81          1HB       GLU  81  -4.454  12.380   7.287
  408   2HB   GLU  81          2HB       GLU  81  -4.439  12.794   5.578
  409   1HG   GLU  81          1HG       GLU  81  -4.977  14.728   6.923
  410   2HG   GLU  81          2HG       GLU  81  -6.351  14.274   5.916
  411    H    GLY  82           H        GLY  82  -5.062  10.013   4.404
  412   1HA   GLY  82          1HA       GLY  82  -5.682  11.271   2.040
  413   2HA   GLY  82          2HA       GLY  82  -5.299   9.580   2.215
  414    H    VAL  83           H        VAL  83  -7.398   8.869   3.891
  415    HA   VAL  83           HA       VAL  83  -9.449   8.369   1.970
  416    HB   VAL  83           HB       VAL  83  -9.406   8.147   4.836
  417   1HG1  VAL  83          1HG1      VAL  83 -11.185   6.928   2.719
  418   2HG1  VAL  83          2HG1      VAL  83 -11.676   8.112   3.931
  419   3HG1  VAL  83          3HG1      VAL  83 -11.183   6.494   4.428
  420   1HG2  VAL  83          1HG2      VAL  83  -8.747   6.184   2.656
  421   2HG2  VAL  83          2HG2      VAL  83  -8.827   5.832   4.383
  422   3HG2  VAL  83          3HG2      VAL  83  -7.596   6.935   3.763
  423    H    ALA  84           H        ALA  84  -9.194  10.447   4.822
  424    HA   ALA  84           HA       ALA  84 -11.961  11.216   4.688
  425   1HB   ALA  84          1HB       ALA  84 -10.840  10.893   6.844
  426   2HB   ALA  84          2HB       ALA  84 -11.500  12.521   6.680
  427   3HB   ALA  84          3HB       ALA  84  -9.768  12.247   6.478
  428    H    SER  85           H        SER  85  -8.907  12.495   3.654
  429    HA   SER  85           HA       SER  85  -9.827  15.132   3.106
  430   1HB   SER  85          1HB       SER  85  -7.890  15.343   1.642
  431   2HB   SER  85          2HB       SER  85  -7.412  14.492   3.110
  432    HG   SER  85           HG       SER  85  -7.153  13.694   0.606
  433    H    GLY  86           H        GLY  86 -10.146  12.075   1.517
  434   1HA   GLY  86          1HA       GLY  86 -11.781  11.471  -0.020
  435   2HA   GLY  86          2HA       GLY  86 -12.200  13.171  -0.202
  436    H    ASN  87           H        ASN  87  -8.887  12.319  -0.438
  437    HA   ASN  87           HA       ASN  87  -8.838  11.951  -3.263
  438   1HB   ASN  87          1HB       ASN  87  -7.585  14.102  -3.738
  439   2HB   ASN  87          2HB       ASN  87  -9.306  14.282  -3.428
  440   1HD2  ASN  87          1HD2      ASN  87  -9.217  16.368  -2.771
  441   2HD2  ASN  87          2HD2      ASN  87  -8.455  16.880  -1.296
  442    H    LEU  88           H        LEU  88  -7.786  10.331  -1.544
  443    HA   LEU  88           HA       LEU  88  -5.102  10.796  -0.845
  444   1HB   LEU  88          1HB       LEU  88  -6.879   8.909  -0.212
  445   2HB   LEU  88          2HB       LEU  88  -5.990   8.040  -1.451
  446    HG   LEU  88           HG       LEU  88  -4.776   9.360   0.924
  447   1HD1  LEU  88          1HD1      LEU  88  -5.435   6.454   0.471
  448   2HD1  LEU  88          2HD1      LEU  88  -6.198   7.533   1.640
  449   3HD1  LEU  88          3HD1      LEU  88  -4.504   7.081   1.830
  450   1HD2  LEU  88          1HD2      LEU  88  -3.598   7.420  -1.054
  451   2HD2  LEU  88          2HD2      LEU  88  -2.779   8.049   0.375
  452   3HD2  LEU  88          3HD2      LEU  88  -3.227   9.138  -0.936
  453    H    ASN  89           H        ASN  89  -4.298  11.742  -2.838
  454    HA   ASN  89           HA       ASN  89  -3.018   9.599  -4.314
  455   1HB   ASN  89          1HB       ASN  89  -3.444  10.543  -6.497
  456   2HB   ASN  89          2HB       ASN  89  -4.976  10.274  -5.685
  457   1HD2  ASN  89          1HD2      ASN  89  -4.191  12.060  -7.893
  458   2HD2  ASN  89          2HD2      ASN  89  -4.726  13.634  -7.417
  459    H    THR  90           H        THR  90  -0.997   9.915  -3.593
  460    HA   THR  90           HA       THR  90   0.244  12.541  -3.905
  461    HB   THR  90           HB       THR  90   0.302  11.078  -1.425
  462    HG1  THR  90           HG1      THR  90  -1.388  12.255  -0.807
  463   1HG2  THR  90          1HG2      THR  90   1.169  13.178  -0.570
  464   2HG2  THR  90          2HG2      THR  90   1.092  13.883  -2.184
  465   3HG2  THR  90          3HG2      THR  90   2.204  12.555  -1.855
  466    H    MET  91           H        MET  91   2.518  12.460  -3.908
  467    HA   MET  91           HA       MET  91   3.709   9.765  -3.760
  468   1HB   MET  91          1HB       MET  91   5.422  10.650  -5.411
  469   2HB   MET  91          2HB       MET  91   3.820  10.322  -6.049
  470   1HG   MET  91          1HG       MET  91   3.292  12.716  -5.908
  471   2HG   MET  91          2HG       MET  91   4.909  13.025  -5.281
  472   1HE   MET  91          1HE       MET  91   3.658  14.540  -7.787
  473   2HE   MET  91          2HE       MET  91   5.049  14.557  -8.872
  474   3HE   MET  91          3HE       MET  91   5.273  14.854  -7.150
  475    H    PHE  92           H        PHE  92   5.354   9.530  -2.418
  476    HA   PHE  92           HA       PHE  92   6.908  11.807  -1.497
  477   1HB   PHE  92          1HB       PHE  92   4.968  11.864  -0.002
  478   2HB   PHE  92          2HB       PHE  92   5.176  10.158   0.368
  479    HD1  PHE  92           HD1      PHE  92   6.963  13.416   0.585
  480    HD2  PHE  92           HD2      PHE  92   6.372   9.542   2.247
  481    HE1  PHE  92           HE1      PHE  92   8.410  14.016   2.484
  482    HE2  PHE  92           HE2      PHE  92   7.816  10.134   4.151
  483    HZ   PHE  92           HZ       PHE  92   8.807  12.373   4.292
  484    H    GLU  93           H        GLU  93   8.938  11.177  -0.768
  485    HA   GLU  93           HA       GLU  93   9.530   8.324  -0.997
  486   1HB   GLU  93          1HB       GLU  93  11.337  10.744  -0.848
  487   2HB   GLU  93          2HB       GLU  93  11.929   9.088  -0.860
  488   1HG   GLU  93          1HG       GLU  93  10.863   8.740  -3.042
  489   2HG   GLU  93          2HG       GLU  93  10.328  10.419  -3.029
  490    H    TYR  94           H        TYR  94   9.590   7.112   0.757
  491    HA   TYR  94           HA       TYR  94   9.836   8.462   3.360
  492   1HB   TYR  94          1HB       TYR  94   7.651   7.276   2.761
  493   2HB   TYR  94          2HB       TYR  94   8.554   5.771   2.848
  494    HD1  TYR  94           HD1      TYR  94   7.059   4.950   4.625
  495    HD2  TYR  94           HD2      TYR  94   9.374   8.481   5.137
  496    HE1  TYR  94           HE1      TYR  94   6.677   4.841   7.051
  497    HE2  TYR  94           HE2      TYR  94   8.994   8.387   7.565
  498    HH   TYR  94           HH       TYR  94   7.720   5.634   9.114
  499    H    THR  95           H        THR  95  12.022   8.360   3.539
  500    HA   THR  95           HA       THR  95  13.403   5.926   2.850
  501    HB   THR  95           HB       THR  95  14.253   7.869   2.193
  502    HG1  THR  95           HG1      THR  95  16.250   7.572   3.852
  503   1HG2  THR  95          1HG2      THR  95  13.381   9.386   3.865
  504   2HG2  THR  95          2HG2      THR  95  15.137   9.518   3.768
  505   3HG2  THR  95          3HG2      THR  95  14.391   8.636   5.100
  506    H    PHE  96           H        PHE  96  14.536   4.622   4.198
  507    HA   PHE  96           HA       PHE  96  14.511   5.226   7.075
  508   1HB   PHE  96          1HB       PHE  96  14.337   2.469   5.829
  509   2HB   PHE  96          2HB       PHE  96  14.363   2.830   7.548
  510    HD1  PHE  96           HD1      PHE  96  12.399   4.688   8.141
  511    HD2  PHE  96           HD2      PHE  96  12.338   1.775   5.044
  512    HE1  PHE  96           HE1      PHE  96   9.937   4.719   8.157
  513    HE2  PHE  96           HE2      PHE  96   9.891   1.798   5.046
  514    HZ   PHE  96           HZ       PHE  96   8.678   3.277   6.605
  515    H    ASP  97           H        ASP  97  16.540   5.527   7.748
  516    HA   ASP  97           HA       ASP  97  18.697   4.840   5.956
  517   1HB   ASP  97          1HB       ASP  97  20.107   6.136   7.598
  518   2HB   ASP  97          2HB       ASP  97  18.811   7.046   6.832
  519    H    TYR  98           H        TYR  98  20.022   4.896   9.000
  520    HA   TYR  98           HA       TYR  98  20.434   1.987   8.795
  521   1HB   TYR  98          1HB       TYR  98  22.346   3.740   8.469
  522   2HB   TYR  98          2HB       TYR  98  22.308   3.848  10.225
  523    HD1  TYR  98           HD1      TYR  98  22.379   1.216   7.577
  524    HD2  TYR  98           HD2      TYR  98  23.785   2.508  11.376
  525    HE1  TYR  98           HE1      TYR  98  23.833  -0.760   7.700
  526    HE2  TYR  98           HE2      TYR  98  25.241   0.531  11.514
  527    HH   TYR  98           HH       TYR  98  25.416  -1.696  10.589
  528    H    GLN  99           H        GLN  99  18.546   3.910  10.449
  529    HA   GLN  99           HA       GLN  99  19.190   3.105  13.149
  530   1HB   GLN  99          1HB       GLN  99  16.952   4.269  13.628
  531   2HB   GLN  99          2HB       GLN  99  18.287   5.257  13.055
  532   1HG   GLN  99          1HG       GLN  99  17.353   5.256  10.815
  533   2HG   GLN  99          2HG       GLN  99  16.040   4.205  11.347
  534   1HE2  GLN  99          1HE2      GLN  99  16.011   6.934  10.196
  535   2HE2  GLN  99          2HE2      GLN  99  15.137   7.895  11.347
  536    H    MET 100           H        MET 100  19.118   0.812  12.563
  537    HA   MET 100           HA       MET 100  18.226  -1.249  12.313
  538   1HB   MET 100          1HB       MET 100  16.671  -1.927  13.970
  539   2HB   MET 100          2HB       MET 100  17.680  -0.684  14.686
  540   1HG   MET 100          1HG       MET 100  15.924   0.932  14.516
  541   2HG   MET 100          2HG       MET 100  14.929  -0.182  13.580
  542   1HE   MET 100          1HE       MET 100  15.991  -0.863  18.027
  543   2HE   MET 100          2HE       MET 100  16.536   0.539  17.105
  544   3HE   MET 100          3HE       MET 100  17.144  -1.068  16.706
  545    H    THR 101           H        THR 101  17.190   0.847  10.444
  546    HA   THR 101           HA       THR 101  14.552  -0.207   9.826
  547    HB   THR 101           HB       THR 101  14.794   1.447   8.055
  548    HG1  THR 101           HG1      THR 101  16.911   2.055   8.225
  549   1HG2  THR 101          1HG2      THR 101  13.269   1.561   9.947
  550   2HG2  THR 101          2HG2      THR 101  14.012   3.132   9.641
  551   3HG2  THR 101          3HG2      THR 101  14.579   2.133  10.980
  552    HA   PRO 102           HA       PRO 102  16.019  -2.795   6.657
  553   1HB   PRO 102          1HB       PRO 102  13.572  -2.630   5.146
  554   2HB   PRO 102          2HB       PRO 102  14.092  -3.895   6.261
  555   1HG   PRO 102          1HG       PRO 102  11.994  -2.191   6.740
  556   2HG   PRO 102          2HG       PRO 102  12.925  -3.003   8.009
  557   1HD   PRO 102          1HD       PRO 102  13.147  -0.195   6.999
  558   2HD   PRO 102          2HD       PRO 102  13.257  -0.808   8.664
  559    H    THR 103           H        THR 103  13.840  -0.685   4.799
  560    HA   THR 103           HA       THR 103  16.039  -0.219   2.892
  561    HB   THR 103           HB       THR 103  14.346  -0.286   1.255
  562    HG1  THR 103           HG1      THR 103  12.378  -0.591   1.960
  563   1HG2  THR 103          1HG2      THR 103  14.962  -2.776   2.820
  564   2HG2  THR 103          2HG2      THR 103  15.966  -2.066   1.555
  565   3HG2  THR 103          3HG2      THR 103  14.376  -2.721   1.159
  566    H    LYS 104           H        LYS 104  15.736   1.598   1.495
  567    HA   LYS 104           HA       LYS 104  13.965   3.687   2.489
  568   1HB   LYS 104          1HB       LYS 104  16.173   4.379   1.693
  569   2HB   LYS 104          2HB       LYS 104  15.880   3.613   0.137
  570   1HG   LYS 104          1HG       LYS 104  13.749   5.340   0.420
  571   2HG   LYS 104          2HG       LYS 104  15.111   6.237   1.094
  572   1HD   LYS 104          1HD       LYS 104  16.368   5.957  -0.932
  573   2HD   LYS 104          2HD       LYS 104  15.140   4.879  -1.598
  574   1HE   LYS 104          1HE       LYS 104  13.518   6.767  -1.473
  575   2HE   LYS 104          2HE       LYS 104  14.849   7.817  -0.988
  576   1HZ   LYS 104          1HZ       LYS 104  15.950   7.315  -3.091
  577   2HZ   LYS 104          2HZ       LYS 104  14.413   7.994  -3.349
  578   3HZ   LYS 104          3HZ       LYS 104  14.651   6.321  -3.554
  579    H    VAL 105           H        VAL 105  11.955   4.071   1.613
  580    HA   VAL 105           HA       VAL 105  11.362   2.749  -0.932
  581    HB   VAL 105           HB       VAL 105   9.168   2.533  -0.227
  582   1HG1  VAL 105          1HG1      VAL 105   9.653   0.517   1.093
  583   2HG1  VAL 105          2HG1      VAL 105  11.315   1.070   1.298
  584   3HG1  VAL 105          3HG1      VAL 105  10.712   0.667  -0.310
  585   1HG2  VAL 105          1HG2      VAL 105   9.087   4.102   1.597
  586   2HG2  VAL 105          2HG2      VAL 105  10.314   3.184   2.472
  587   3HG2  VAL 105          3HG2      VAL 105   8.724   2.476   2.180
  588    H    LYS 106           H        LYS 106   9.534   3.651  -2.066
  589    HA   LYS 106           HA       LYS 106   8.915   6.433  -1.366
  590   1HB   LYS 106          1HB       LYS 106   9.080   7.064  -3.760
  591   2HB   LYS 106          2HB       LYS 106  10.629   6.564  -3.095
  592   1HG   LYS 106          1HG       LYS 106  10.381   4.372  -4.129
  593   2HG   LYS 106          2HG       LYS 106   8.811   4.849  -4.774
  594   1HD   LYS 106          1HD       LYS 106  11.447   6.164  -5.433
  595   2HD   LYS 106          2HD       LYS 106  10.601   4.998  -6.453
  596   1HE   LYS 106          1HE       LYS 106   8.665   6.552  -6.525
  597   2HE   LYS 106          2HE       LYS 106   9.626   7.730  -5.632
  598   1HZ   LYS 106          1HZ       LYS 106  11.243   7.707  -7.446
  599   2HZ   LYS 106          2HZ       LYS 106   9.704   8.183  -7.984
  600   3HZ   LYS 106          3HZ       LYS 106  10.267   6.621  -8.308
  601    H    VAL 107           H        VAL 107   6.805   7.045  -1.816
  602    HA   VAL 107           HA       VAL 107   5.140   4.851  -2.843
  603    HB   VAL 107           HB       VAL 107   3.369   5.954  -1.662
  604   1HG1  VAL 107          1HG1      VAL 107   4.248   3.749  -1.150
  605   2HG1  VAL 107          2HG1      VAL 107   3.964   4.638   0.346
  606   3HG1  VAL 107          3HG1      VAL 107   5.605   4.459  -0.275
  607   1HG2  VAL 107          1HG2      VAL 107   4.498   7.988  -1.028
  608   2HG2  VAL 107          2HG2      VAL 107   5.727   7.067  -0.160
  609   3HG2  VAL 107          3HG2      VAL 107   4.054   7.057   0.403
  610    H    HIS 108           H        HIS 108   3.724   5.220  -4.338
  611    HA   HIS 108           HA       HIS 108   2.774   7.966  -4.723
  612   1HB   HIS 108          1HB       HIS 108   4.259   7.313  -6.620
  613   2HB   HIS 108          2HB       HIS 108   3.227   5.921  -6.918
  614    HD1  HIS 108           HD1      HIS 108   2.683   6.761  -9.299
  615    HD2  HIS 108           HD2      HIS 108   1.524   9.376  -6.271
  616    HE1  HIS 108           HE1      HIS 108   1.142   8.430 -10.386
  617    HE2  HIS 108           HE2      HIS 108   0.590  10.096  -8.580
  618    H    MET 109           H        MET 109   0.865   7.842  -3.785
  619    HA   MET 109           HA       MET 109  -0.766   5.428  -4.221
  620   1HB   MET 109          1HB       MET 109  -0.979   7.569  -2.090
  621   2HB   MET 109          2HB       MET 109  -2.068   6.199  -2.255
  622   1HG   MET 109          1HG       MET 109  -0.114   4.695  -1.913
  623   2HG   MET 109          2HG       MET 109   0.859   6.125  -1.572
  624   1HE   MET 109          1HE       MET 109  -2.732   4.767   0.987
  625   2HE   MET 109          2HE       MET 109  -2.131   3.876  -0.413
  626   3HE   MET 109          3HE       MET 109  -2.900   5.448  -0.631
  627    H    LYS 110           H        LYS 110  -2.921   5.657  -4.905
  628    HA   LYS 110           HA       LYS 110  -3.864   8.336  -5.433
  629   1HB   LYS 110          1HB       LYS 110  -4.137   8.119  -7.800
  630   2HB   LYS 110          2HB       LYS 110  -2.457   7.767  -7.427
  631   1HG   LYS 110          1HG       LYS 110  -2.885   5.387  -7.646
  632   2HG   LYS 110          2HG       LYS 110  -4.592   5.705  -7.958
  633   1HD   LYS 110          1HD       LYS 110  -2.241   6.501  -9.673
  634   2HD   LYS 110          2HD       LYS 110  -3.479   5.304 -10.053
  635   1HE   LYS 110          1HE       LYS 110  -3.852   8.285  -9.777
  636   2HE   LYS 110          2HE       LYS 110  -3.931   7.342 -11.264
  637   1HZ   LYS 110          1HZ       LYS 110  -5.824   7.204  -8.976
  638   2HZ   LYS 110          2HZ       LYS 110  -5.876   6.176 -10.319
  639   3HZ   LYS 110          3HZ       LYS 110  -6.140   7.843 -10.513
  640    H    LYS 111           H        LYS 111  -5.998   8.418  -5.134
  641    HA   LYS 111           HA       LYS 111  -7.550   6.284  -4.445
  642   1HB   LYS 111          1HB       LYS 111  -8.134   8.546  -3.998
  643   2HB   LYS 111          2HB       LYS 111  -8.182   8.934  -5.702
  644   1HG   LYS 111          1HG       LYS 111 -10.144   7.441  -5.949
  645   2HG   LYS 111          2HG       LYS 111 -10.129   7.202  -4.198
  646   1HD   LYS 111          1HD       LYS 111 -10.127   9.971  -5.307
  647   2HD   LYS 111          2HD       LYS 111 -11.645   9.060  -5.267
  648   1HE   LYS 111          1HE       LYS 111  -9.877   9.426  -2.855
  649   2HE   LYS 111          2HE       LYS 111 -11.157  10.561  -3.275
  650   1HZ   LYS 111          1HZ       LYS 111 -11.543   7.664  -2.706
  651   2HZ   LYS 111          2HZ       LYS 111 -12.766   8.764  -3.103
  652   3HZ   LYS 111          3HZ       LYS 111 -11.909   8.940  -1.650
  653    H    ALA 112           H        ALA 112  -8.158   4.596  -5.545
  654    HA   ALA 112           HA       ALA 112  -7.489   4.221  -8.250
  655   1HB   ALA 112          1HB       ALA 112  -9.303   2.565  -6.499
  656   2HB   ALA 112          2HB       ALA 112  -7.549   2.412  -6.600
  657   3HB   ALA 112          3HB       ALA 112  -8.549   2.046  -8.007
  658    H    LEU 113           H        LEU 113  -8.682   4.333 -10.086
  659    HA   LEU 113           HA       LEU 113 -11.166   5.733 -10.059
  660   1HB   LEU 113          1HB       LEU 113  -9.786   4.257 -12.304
  661   2HB   LEU 113          2HB       LEU 113 -11.176   5.310 -12.495
  662    HG   LEU 113           HG       LEU 113  -8.427   6.149 -11.563
  663   1HD1  LEU 113          1HD1      LEU 113  -8.526   5.661 -13.941
  664   2HD1  LEU 113          2HD1      LEU 113  -8.364   7.395 -13.661
  665   3HD1  LEU 113          3HD1      LEU 113  -9.928   6.717 -14.110
  666   1HD2  LEU 113          1HD2      LEU 113  -9.308   8.426 -11.638
  667   2HD2  LEU 113          2HD2      LEU 113 -10.178   7.446 -10.458
  668   3HD2  LEU 113          3HD2      LEU 113 -10.911   7.800 -12.023
  669    H    SER 114           H        SER 114 -10.330   2.553  -9.513
  670    HA   SER 114           HA       SER 114 -12.582   1.168 -10.484
  671   1HB   SER 114          1HB       SER 114 -11.053   0.511  -7.960
  672   2HB   SER 114          2HB       SER 114 -11.888  -0.604  -9.042
  673    HG   SER 114           HG       SER 114 -10.293  -0.430 -10.509
  674    H    GLY 115           H        GLY 115 -11.953   3.017  -7.555
  675   1HA   GLY 115          1HA       GLY 115 -13.755   4.246  -6.530
  676   2HA   GLY 115          2HA       GLY 115 -14.838   2.925  -6.955
  677    H    ASP 116           H        ASP 116 -14.034   4.302  -4.382
  678    HA   ASP 116           HA       ASP 116 -13.496   3.858  -2.224
  679   1HB   ASP 116          1HB       ASP 116 -15.240   1.646  -3.127
  680   2HB   ASP 116          2HB       ASP 116 -14.416   1.413  -1.586
  681    H    SER 117           H        SER 117 -11.319   3.534  -3.712
  682    HA   SER 117           HA       SER 117  -9.774   1.670  -2.187
  683   1HB   SER 117          1HB       SER 117  -8.855   0.668  -4.395
  684   2HB   SER 117          2HB       SER 117 -10.346   0.038  -3.706
  685    HG   SER 117           HG       SER 117 -11.524   1.164  -5.208
  686    H    TYR 118           H        TYR 118  -7.504   1.931  -2.536
  687    HA   TYR 118           HA       TYR 118  -6.687   4.272  -4.109
  688   1HB   TYR 118          1HB       TYR 118  -5.784   3.862  -1.245
  689   2HB   TYR 118          2HB       TYR 118  -5.447   5.240  -2.293
  690    HD1  TYR 118           HD1      TYR 118  -7.761   3.731   0.001
  691    HD2  TYR 118           HD2      TYR 118  -7.246   6.823  -2.844
  692    HE1  TYR 118           HE1      TYR 118  -9.720   4.897   0.935
  693    HE2  TYR 118           HE2      TYR 118  -9.207   8.012  -1.932
  694    HH   TYR 118           HH       TYR 118 -11.167   7.600  -0.616
  695    H    TRP 119           H        TRP 119  -4.687   4.010  -5.062
  696    HA   TRP 119           HA       TRP 119  -3.540   1.374  -4.838
  697   1HB   TRP 119          1HB       TRP 119  -2.921   3.773  -6.549
  698   2HB   TRP 119          2HB       TRP 119  -1.936   2.298  -6.572
  699    HD1  TRP 119           HD1      TRP 119  -5.665   3.269  -7.135
  700    HE1  TRP 119           HE1      TRP 119  -6.566   1.716  -9.021
  701    HE3  TRP 119           HE3      TRP 119  -1.488   0.470  -7.934
  702    HZ2  TRP 119           HZ2      TRP 119  -5.584  -0.421 -10.603
  703    HZ3  TRP 119           HZ3      TRP 119  -1.520  -1.267  -9.622
  704    HH2  TRP 119           HH2      TRP 119  -3.525  -1.718 -10.955
  705    H    VAL 120           H        VAL 120  -1.296   1.066  -4.630
  706    HA   VAL 120           HA       VAL 120   0.221   3.121  -3.191
  707    HB   VAL 120           HB       VAL 120   0.068   0.318  -2.550
  708   1HG1  VAL 120          1HG1      VAL 120   1.572   2.623  -1.306
  709   2HG1  VAL 120          2HG1      VAL 120   2.281   1.275  -2.193
  710   3HG1  VAL 120          3HG1      VAL 120   1.477   0.989  -0.649
  711   1HG2  VAL 120          1HG2      VAL 120  -0.925   1.100  -0.450
  712   2HG2  VAL 120          2HG2      VAL 120  -1.953   1.410  -1.848
  713   3HG2  VAL 120          3HG2      VAL 120  -1.028   2.726  -1.123
  714    H    PHE 121           H        PHE 121   1.480   3.456  -5.025
  715    HA   PHE 121           HA       PHE 121   2.999   1.189  -6.067
  716   1HB   PHE 121          1HB       PHE 121   3.193   4.135  -6.749
  717   2HB   PHE 121          2HB       PHE 121   4.046   2.842  -7.573
  718    HD1  PHE 121           HD1      PHE 121   0.872   4.568  -7.170
  719    HD2  PHE 121           HD2      PHE 121   2.846   1.309  -9.059
  720    HE1  PHE 121           HE1      PHE 121  -1.019   4.325  -8.722
  721    HE2  PHE 121           HE2      PHE 121   0.959   1.062 -10.616
  722    HZ   PHE 121           HZ       PHE 121  -0.943   2.597 -10.495
  723    H    VAL 122           H        VAL 122   4.458   0.515  -4.591
  724    HA   VAL 122           HA       VAL 122   6.169   2.568  -3.379
  725    HB   VAL 122           HB       VAL 122   4.837   1.594  -1.867
  726   1HG1  VAL 122          1HG1      VAL 122   6.032  -1.026  -2.756
  727   2HG1  VAL 122          2HG1      VAL 122   4.350  -0.529  -2.927
  728   3HG1  VAL 122          3HG1      VAL 122   5.033  -0.794  -1.323
  729   1HG2  VAL 122          1HG2      VAL 122   7.704   0.719  -1.685
  730   2HG2  VAL 122          2HG2      VAL 122   6.575   0.812  -0.335
  731   3HG2  VAL 122          3HG2      VAL 122   7.042   2.277  -1.197
  732    H    LYS 123           H        LYS 123   8.336   2.354  -3.548
  733    HA   LYS 123           HA       LYS 123   9.435  -0.078  -4.701
  734   1HB   LYS 123          1HB       LYS 123   9.706   2.652  -5.979
  735   2HB   LYS 123          2HB       LYS 123  10.647   1.241  -6.445
  736   1HG   LYS 123          1HG       LYS 123   8.664   0.099  -7.185
  737   2HG   LYS 123          2HG       LYS 123   7.641   1.402  -6.582
  738   1HD   LYS 123          1HD       LYS 123   8.722   2.942  -8.185
  739   2HD   LYS 123          2HD       LYS 123   9.656   1.585  -8.822
  740   1HE   LYS 123          1HE       LYS 123   6.643   1.727  -8.776
  741   2HE   LYS 123          2HE       LYS 123   7.643   2.128 -10.171
  742   1HZ   LYS 123          1HZ       LYS 123   7.654  -0.526  -8.836
  743   2HZ   LYS 123          2HZ       LYS 123   8.418  -0.109 -10.290
  744   3HZ   LYS 123          3HZ       LYS 123   6.731  -0.160 -10.206
  745    H    ARG 124           H        ARG 124  11.610  -0.378  -4.261
  746    HA   ARG 124           HA       ARG 124  12.519   1.107  -1.960
  747   1HB   ARG 124          1HB       ARG 124  14.339  -0.527  -1.854
  748   2HB   ARG 124          2HB       ARG 124  12.781  -1.328  -2.009
  749   1HG   ARG 124          1HG       ARG 124  13.179  -1.849  -4.293
  750   2HG   ARG 124          2HG       ARG 124  14.612  -0.820  -4.340
  751   1HD   ARG 124          1HD       ARG 124  15.191  -3.198  -4.193
  752   2HD   ARG 124          2HD       ARG 124  15.753  -2.294  -2.788
  753    HE   ARG 124           HE       ARG 124  13.207  -3.754  -2.629
  754   1HH1  ARG 124          1HH1      ARG 124  16.576  -3.475  -1.694
  755   2HH1  ARG 124          2HH1      ARG 124  16.396  -4.500  -0.296
  756   1HH2  ARG 124          1HH2      ARG 124  12.991  -5.132  -0.812
  757   2HH2  ARG 124          2HH2      ARG 124  14.373  -5.440   0.198
  758    H    VAL 125           H        VAL 125  14.516   2.058  -1.744
  759    HA   VAL 125           HA       VAL 125  15.873   3.785  -2.299
  760    HB   VAL 125           HB       VAL 125  17.671   3.102  -3.624
  761   1HG1  VAL 125          1HG1      VAL 125  16.711   1.406  -1.325
  762   2HG1  VAL 125          2HG1      VAL 125  17.554   2.950  -1.206
  763   3HG1  VAL 125          3HG1      VAL 125  18.383   1.541  -1.868
  764   1HG2  VAL 125          1HG2      VAL 125  16.149   0.503  -3.704
  765   2HG2  VAL 125          2HG2      VAL 125  17.868   0.690  -4.058
  766   3HG2  VAL 125          3HG2      VAL 125  16.667   1.467  -5.090
  767    H2   HC4 169           H2       HC4 169  -0.225  -7.742  15.031
  768    H3   HC4 169           H3       HC4 169   1.146  -8.602  13.587
  769    H2'  HC4 169           H2'      HC4 169   2.947  -8.736  11.982
  770    H3'  HC4 169           H3'      HC4 169   4.550  -7.753  10.404
  771    H5'  HC4 169           H5'      HC4 169   3.572  -3.871  11.859
  772    H6'  HC4 169           H6'      HC4 169   1.900  -4.859  13.351
  773   'HO4  HC4 169          'HO4      HC4 169   4.996  -5.564   9.315
  Start of MODEL    4
    1    H    LEU  26           H        LEU  26   6.140   0.164 -18.322
    2    HA   LEU  26           HA       LEU  26   5.524  -0.965 -16.301
    3   1HB   LEU  26          1HB       LEU  26   7.639  -1.518 -17.460
    4   2HB   LEU  26          2HB       LEU  26   8.479  -0.353 -16.459
    5    HG   LEU  26           HG       LEU  26   7.942  -1.702 -14.462
    6   1HD1  LEU  26          1HD1      LEU  26   7.065  -3.974 -14.755
    7   2HD1  LEU  26          2HD1      LEU  26   6.792  -3.639 -16.465
    8   3HD1  LEU  26          3HD1      LEU  26   5.893  -2.747 -15.238
    9   1HD2  LEU  26          1HD2      LEU  26  10.063  -2.018 -15.605
   10   2HD2  LEU  26          2HD2      LEU  26   9.322  -3.201 -16.683
   11   3HD2  LEU  26          3HD2      LEU  26   9.470  -3.550 -14.961
   12    H    ALA  27           H        ALA  27   4.948  -0.736 -14.251
   13    HA   ALA  27           HA       ALA  27   6.250   1.380 -12.657
   14   1HB   ALA  27          1HB       ALA  27   4.152   1.650 -11.443
   15   2HB   ALA  27          2HB       ALA  27   3.403   0.402 -12.440
   16   3HB   ALA  27          3HB       ALA  27   3.914   1.923 -13.171
   17    H    PHE  28           H        PHE  28   7.424   0.609 -11.042
   18    HA   PHE  28           HA       PHE  28   7.273  -2.174 -10.311
   19   1HB   PHE  28          1HB       PHE  28   9.014   0.068  -9.264
   20   2HB   PHE  28          2HB       PHE  28   9.181  -1.623  -8.810
   21    HD1  PHE  28           HD1      PHE  28   9.740   0.869 -11.409
   22    HD2  PHE  28           HD2      PHE  28  10.052  -3.254 -10.391
   23    HE1  PHE  28           HE1      PHE  28  11.248   0.514 -13.320
   24    HE2  PHE  28           HE2      PHE  28  11.556  -3.616 -12.302
   25    HZ   PHE  28           HZ       PHE  28  12.157  -1.731 -13.769
   26    H    GLY  29           H        GLY  29   6.881  -2.992  -8.227
   27   1HA   GLY  29          1HA       GLY  29   5.837  -3.149  -6.190
   28   2HA   GLY  29          2HA       GLY  29   6.342  -1.485  -5.940
   29    H    ALA  30           H        ALA  30   4.044  -2.892  -8.258
   30    HA   ALA  30           HA       ALA  30   2.203  -0.742  -7.549
   31   1HB   ALA  30          1HB       ALA  30   2.107  -2.715  -9.834
   32   2HB   ALA  30          2HB       ALA  30   2.745  -1.073  -9.908
   33   3HB   ALA  30          3HB       ALA  30   1.029  -1.337  -9.606
   34    H    ILE  31           H        ILE  31   1.053  -1.307  -5.771
   35    HA   ILE  31           HA       ILE  31  -0.668  -3.663  -6.095
   36    HB   ILE  31           HB       ILE  31   0.816  -4.202  -4.633
   37   1HG1  ILE  31          1HG1      ILE  31  -1.673  -4.540  -4.164
   38   2HG1  ILE  31          2HG1      ILE  31  -0.470  -5.022  -2.991
   39   1HG2  ILE  31          1HG2      ILE  31   1.289  -2.963  -2.566
   40   2HG2  ILE  31          2HG2      ILE  31   0.263  -1.653  -3.152
   41   3HG2  ILE  31          3HG2      ILE  31   1.747  -2.064  -4.014
   42   1HD1  ILE  31          1HD1      ILE  31  -2.118  -2.503  -2.900
   43   2HD1  ILE  31          2HD1      ILE  31  -0.888  -2.971  -1.726
   44   3HD1  ILE  31          3HD1      ILE  31  -2.349  -3.941  -1.907
   45    H    GLN  32           H        GLN  32  -2.777  -3.416  -5.606
   46    HA   GLN  32           HA       GLN  32  -3.585  -0.686  -4.897
   47   1HB   GLN  32          1HB       GLN  32  -5.682  -1.102  -6.097
   48   2HB   GLN  32          2HB       GLN  32  -4.276  -1.197  -7.132
   49   1HG   GLN  32          1HG       GLN  32  -4.453  -3.454  -7.432
   50   2HG   GLN  32          2HG       GLN  32  -5.416  -3.697  -5.976
   51   1HE2  GLN  32          1HE2      GLN  32  -7.283  -1.512  -6.656
   52   2HE2  GLN  32          2HE2      GLN  32  -8.245  -2.109  -7.951
   53    H    LEU  33           H        LEU  33  -4.846  -0.328  -3.241
   54    HA   LEU  33           HA       LEU  33  -6.151  -2.657  -1.975
   55   1HB   LEU  33          1HB       LEU  33  -5.826  -1.545   0.205
   56   2HB   LEU  33          2HB       LEU  33  -4.334  -2.041  -0.558
   57    HG   LEU  33           HG       LEU  33  -4.211   0.433  -1.365
   58   1HD1  LEU  33          1HD1      LEU  33  -6.443   1.102  -0.666
   59   2HD1  LEU  33          2HD1      LEU  33  -5.213   2.024   0.201
   60   3HD1  LEU  33          3HD1      LEU  33  -6.052   0.699   1.006
   61   1HD2  LEU  33          1HD2      LEU  33  -3.011   1.031   0.678
   62   2HD2  LEU  33          2HD2      LEU  33  -2.643  -0.618   0.170
   63   3HD2  LEU  33          3HD2      LEU  33  -3.752  -0.336   1.512
   64    H    ASP  34           H        ASP  34  -8.037  -2.083  -0.672
   65    HA   ASP  34           HA       ASP  34  -9.612  -0.120  -2.164
   66   1HB   ASP  34          1HB       ASP  34 -11.570  -1.091  -0.965
   67   2HB   ASP  34          2HB       ASP  34 -10.679  -2.268  -1.919
   68    H    GLY  35           H        GLY  35 -10.918   1.439  -1.151
   69   1HA   GLY  35          1HA       GLY  35  -9.600   2.749   1.058
   70   2HA   GLY  35          2HA       GLY  35 -11.013   3.330   0.185
   71    H    ASP  36           H        ASP  36 -10.833   0.157   1.496
   72    HA   ASP  36           HA       ASP  36 -12.927   0.825   3.446
   73   1HB   ASP  36          1HB       ASP  36 -13.682  -0.647   1.652
   74   2HB   ASP  36          2HB       ASP  36 -12.336  -1.738   1.951
   75    H    GLY  37           H        GLY  37  -9.944  -0.948   2.826
   76   1HA   GLY  37          1HA       GLY  37  -8.365  -0.595   4.783
   77   2HA   GLY  37          2HA       GLY  37  -9.644  -1.311   5.749
   78    H    ASN  38           H        ASN  38  -9.109  -2.544   2.558
   79    HA   ASN  38           HA       ASN  38  -7.514  -4.775   3.629
   80   1HB   ASN  38          1HB       ASN  38 -10.022  -5.039   1.952
   81   2HB   ASN  38          2HB       ASN  38  -8.914  -6.359   2.306
   82   1HD2  ASN  38          1HD2      ASN  38 -11.409  -4.300   3.545
   83   2HD2  ASN  38          2HD2      ASN  38 -11.653  -5.153   5.030
   84    H    ILE  39           H        ILE  39  -6.248  -5.873   2.084
   85    HA   ILE  39           HA       ILE  39  -5.461  -4.292  -0.184
   86    HB   ILE  39           HB       ILE  39  -4.823  -6.981   0.643
   87   1HG1  ILE  39          1HG1      ILE  39  -4.171  -5.325   2.275
   88   2HG1  ILE  39          2HG1      ILE  39  -2.759  -5.926   1.423
   89   1HG2  ILE  39          1HG2      ILE  39  -3.607  -5.174  -1.452
   90   2HG2  ILE  39          2HG2      ILE  39  -4.423  -6.713  -1.737
   91   3HG2  ILE  39          3HG2      ILE  39  -2.888  -6.672  -0.865
   92   1HD1  ILE  39          1HD1      ILE  39  -2.604  -3.539   1.772
   93   2HD1  ILE  39          2HD1      ILE  39  -4.133  -3.297   0.928
   94   3HD1  ILE  39          3HD1      ILE  39  -2.729  -3.904   0.051
   95    H    LEU  40           H        LEU  40  -5.816  -4.745  -2.368
   96    HA   LEU  40           HA       LEU  40  -8.108  -6.540  -2.789
   97   1HB   LEU  40          1HB       LEU  40  -8.470  -4.119  -3.225
   98   2HB   LEU  40          2HB       LEU  40  -7.245  -4.191  -4.479
   99    HG   LEU  40           HG       LEU  40  -8.621  -5.767  -5.753
  100   1HD1  LEU  40          1HD1      LEU  40  -9.757  -6.866  -3.901
  101   2HD1  LEU  40          2HD1      LEU  40 -10.920  -6.235  -5.066
  102   3HD1  LEU  40          3HD1      LEU  40 -10.643  -5.381  -3.549
  103   1HD2  LEU  40          1HD2      LEU  40  -8.869  -3.374  -6.152
  104   2HD2  LEU  40          2HD2      LEU  40 -10.118  -3.291  -4.910
  105   3HD2  LEU  40          3HD2      LEU  40 -10.400  -4.220  -6.384
  106    H    GLN  41           H        GLN  41  -5.161  -5.354  -4.452
  107    HA   GLN  41           HA       GLN  41  -4.583  -8.031  -5.353
  108   1HB   GLN  41          1HB       GLN  41  -6.293  -7.334  -7.008
  109   2HB   GLN  41          2HB       GLN  41  -5.287  -5.955  -7.439
  110   1HG   GLN  41          1HG       GLN  41  -3.500  -7.553  -8.105
  111   2HG   GLN  41          2HG       GLN  41  -4.638  -8.868  -7.823
  112   1HE2  GLN  41          1HE2      GLN  41  -3.759  -6.225  -9.885
  113   2HE2  GLN  41          2HE2      GLN  41  -4.826  -6.616 -11.189
  114    H    TYR  42           H        TYR  42  -2.470  -8.312  -5.800
  115    HA   TYR  42           HA       TYR  42  -0.771  -5.918  -6.029
  116   1HB   TYR  42          1HB       TYR  42  -0.174  -7.565  -4.244
  117   2HB   TYR  42          2HB       TYR  42   0.049  -8.787  -5.491
  118    HD1  TYR  42           HD1      TYR  42   2.104  -8.971  -6.643
  119    HD2  TYR  42           HD2      TYR  42   1.320  -5.528  -4.273
  120    HE1  TYR  42           HE1      TYR  42   4.444  -8.262  -6.912
  121    HE2  TYR  42           HE2      TYR  42   3.654  -4.806  -4.538
  122    HH   TYR  42           HH       TYR  42   5.817  -5.706  -5.058
  123    H    ASN  43           H        ASN  43   0.452  -5.602  -7.844
  124    HA   ASN  43           HA       ASN  43  -0.164  -7.370 -10.105
  125   1HB   ASN  43          1HB       ASN  43   0.919  -4.542 -10.093
  126   2HB   ASN  43          2HB       ASN  43   0.542  -5.486 -11.530
  127   1HD2  ASN  43          1HD2      ASN  43  -0.771  -3.782  -8.794
  128   2HD2  ASN  43          2HD2      ASN  43  -2.389  -3.665  -9.396
  129    H    ALA  44           H        ALA  44   1.341  -8.743 -10.729
  130    HA   ALA  44           HA       ALA  44   4.004  -8.652  -9.701
  131   1HB   ALA  44          1HB       ALA  44   2.893 -10.369 -11.923
  132   2HB   ALA  44          2HB       ALA  44   2.851 -10.770 -10.205
  133   3HB   ALA  44          3HB       ALA  44   4.398 -10.635 -11.042
  134    H    ALA  45           H        ALA  45   4.793  -6.654 -10.364
  135    HA   ALA  45           HA       ALA  45   4.997  -6.013 -13.168
  136   1HB   ALA  45          1HB       ALA  45   4.680  -4.234 -11.529
  137   2HB   ALA  45          2HB       ALA  45   6.199  -4.020 -12.398
  138   3HB   ALA  45          3HB       ALA  45   6.207  -4.661 -10.756
  139    H    GLU  46           H        GLU  46   6.688  -6.382 -14.476
  140    HA   GLU  46           HA       GLU  46   8.736  -8.164 -13.636
  141   1HB   GLU  46          1HB       GLU  46   8.514  -6.567 -16.192
  142   2HB   GLU  46          2HB       GLU  46   9.611  -7.914 -15.914
  143   1HG   GLU  46          1HG       GLU  46   7.613  -9.357 -15.526
  144   2HG   GLU  46          2HG       GLU  46   6.610  -8.002 -16.042
  145    H    GLY  47           H        GLY  47  11.067  -7.705 -14.079
  146   1HA   GLY  47          1HA       GLY  47  12.774  -5.942 -14.263
  147   2HA   GLY  47          2HA       GLY  47  11.739  -4.949 -13.241
  148    H    ASP  48           H        ASP  48  11.484  -5.538 -11.026
  149    HA   ASP  48           HA       ASP  48  13.293  -7.545  -9.971
  150   1HB   ASP  48          1HB       ASP  48  14.722  -5.574 -10.119
  151   2HB   ASP  48          2HB       ASP  48  13.536  -4.626  -9.226
  152    H    ILE  49           H        ILE  49  11.563  -8.632  -9.139
  153    HA   ILE  49           HA       ILE  49  10.277  -7.353  -6.828
  154    HB   ILE  49           HB       ILE  49   8.479  -8.848  -7.225
  155   1HG1  ILE  49          1HG1      ILE  49   9.629  -8.859 -10.015
  156   2HG1  ILE  49          2HG1      ILE  49   9.611 -10.248  -8.933
  157   1HG2  ILE  49          1HG2      ILE  49   8.389  -6.430  -7.474
  158   2HG2  ILE  49          2HG2      ILE  49   7.435  -7.230  -8.723
  159   3HG2  ILE  49          3HG2      ILE  49   9.022  -6.567  -9.115
  160   1HD1  ILE  49          1HD1      ILE  49   7.815 -10.393 -10.541
  161   2HD1  ILE  49          2HD1      ILE  49   7.204  -8.818 -10.034
  162   3HD1  ILE  49          3HD1      ILE  49   7.163 -10.182  -8.916
  163    H    THR  50           H        THR  50  12.526  -8.675  -6.402
  164    HA   THR  50           HA       THR  50  12.231 -11.511  -6.192
  165    HB   THR  50           HB       THR  50  14.122  -9.887  -4.793
  166    HG1  THR  50           HG1      THR  50  14.822  -9.243  -6.685
  167   1HG2  THR  50          1HG2      THR  50  15.547 -11.803  -5.274
  168   2HG2  THR  50          2HG2      THR  50  14.207 -12.601  -6.097
  169   3HG2  THR  50          3HG2      THR  50  14.118 -12.293  -4.364
  170    H    GLY  51           H        GLY  51  12.034 -12.778  -4.335
  171   1HA   GLY  51          1HA       GLY  51  12.049 -12.309  -1.714
  172   2HA   GLY  51          2HA       GLY  51  10.558 -11.495  -2.169
  173    H    ARG  52           H        ARG  52  10.316 -13.502  -0.399
  174    HA   ARG  52           HA       ARG  52   9.075 -15.635  -2.002
  175   1HB   ARG  52          1HB       ARG  52  10.816 -16.017   0.442
  176   2HB   ARG  52          2HB       ARG  52   9.820 -17.278  -0.266
  177   1HG   ARG  52          1HG       ARG  52  12.072 -15.860  -1.674
  178   2HG   ARG  52          2HG       ARG  52  12.177 -17.452  -0.921
  179   1HD   ARG  52          1HD       ARG  52  10.375 -18.232  -2.430
  180   2HD   ARG  52          2HD       ARG  52  10.410 -16.661  -3.229
  181    HE   ARG  52           HE       ARG  52  12.983 -17.927  -3.154
  182   1HH1  ARG  52          1HH1      ARG  52   9.923 -17.800  -4.850
  183   2HH1  ARG  52          2HH1      ARG  52  10.588 -18.359  -6.358
  184   1HH2  ARG  52          1HH2      ARG  52  13.873 -18.651  -5.145
  185   2HH2  ARG  52          2HH2      ARG  52  12.831 -18.830  -6.526
  186    H    ASP  53           H        ASP  53   7.579 -13.567  -1.091
  187    HA   ASP  53           HA       ASP  53   5.814 -14.972   0.703
  188   1HB   ASP  53          1HB       ASP  53   5.595 -13.155   2.335
  189   2HB   ASP  53          2HB       ASP  53   7.226 -13.809   2.317
  190    HA   PRO  54           HA       PRO  54   3.302 -12.663  -2.266
  191   1HB   PRO  54          1HB       PRO  54   1.472 -14.623  -2.602
  192   2HB   PRO  54          2HB       PRO  54   2.999 -14.584  -3.489
  193   1HG   PRO  54          1HG       PRO  54   2.223 -16.216  -1.115
  194   2HG   PRO  54          2HG       PRO  54   3.210 -16.668  -2.517
  195   1HD   PRO  54          1HD       PRO  54   4.225 -15.966  -0.053
  196   2HD   PRO  54          2HD       PRO  54   5.118 -15.843  -1.580
  197    H    LYS  55           H        LYS  55   1.927 -14.855   0.221
  198    HA   LYS  55           HA       LYS  55  -0.253 -13.030   0.692
  199   1HB   LYS  55          1HB       LYS  55   0.517 -15.626   2.027
  200   2HB   LYS  55          2HB       LYS  55  -0.900 -14.682   2.470
  201   1HG   LYS  55          1HG       LYS  55  -1.765 -14.941   0.185
  202   2HG   LYS  55          2HG       LYS  55  -0.358 -15.929  -0.219
  203   1HD   LYS  55          1HD       LYS  55  -1.001 -17.576   1.438
  204   2HD   LYS  55          2HD       LYS  55  -2.356 -16.569   1.951
  205   1HE   LYS  55          1HE       LYS  55  -3.116 -18.362   0.492
  206   2HE   LYS  55          2HE       LYS  55  -3.360 -16.792  -0.268
  207   1HZ   LYS  55          1HZ       LYS  55  -1.538 -17.143  -1.698
  208   2HZ   LYS  55          2HZ       LYS  55  -2.428 -18.585  -1.729
  209   3HZ   LYS  55          3HZ       LYS  55  -0.995 -18.492  -0.825
  210    H    GLN  56           H        GLN  56   1.025 -11.241   1.274
  211    HA   GLN  56           HA       GLN  56   1.239 -10.942   4.106
  212   1HB   GLN  56          1HB       GLN  56   3.452 -11.941   3.601
  213   2HB   GLN  56          2HB       GLN  56   3.762 -10.651   2.448
  214   1HG   GLN  56          1HG       GLN  56   4.906 -10.301   4.582
  215   2HG   GLN  56          2HG       GLN  56   3.758  -9.014   4.224
  216   1HE2  GLN  56          1HE2      GLN  56   1.944  -8.774   5.492
  217   2HE2  GLN  56          2HE2      GLN  56   1.755  -9.585   7.012
  218    H    VAL  57           H        VAL  57   2.256  -9.582   0.989
  219    HA   VAL  57           HA       VAL  57   1.341  -6.952   1.712
  220    HB   VAL  57           HB       VAL  57   3.069  -7.292   0.275
  221   1HG1  VAL  57          1HG1      VAL  57   2.524  -9.266  -0.935
  222   2HG1  VAL  57          2HG1      VAL  57   2.558  -7.936  -2.090
  223   3HG1  VAL  57          3HG1      VAL  57   1.014  -8.564  -1.516
  224   1HG2  VAL  57          1HG2      VAL  57   2.374  -5.676  -1.387
  225   2HG2  VAL  57          2HG2      VAL  57   1.792  -5.245   0.221
  226   3HG2  VAL  57          3HG2      VAL  57   0.685  -5.953  -0.956
  227    H    ILE  58           H        ILE  58   0.101  -9.722  -0.053
  228    HA   ILE  58           HA       ILE  58  -2.508  -8.367  -0.277
  229    HB   ILE  58           HB       ILE  58  -3.085  -9.981  -1.776
  230   1HG1  ILE  58          1HG1      ILE  58  -0.180 -10.792  -1.726
  231   2HG1  ILE  58          2HG1      ILE  58  -1.493 -11.741  -1.034
  232   1HG2  ILE  58          1HG2      ILE  58  -0.646  -8.320  -2.359
  233   2HG2  ILE  58          2HG2      ILE  58  -2.334  -7.849  -2.549
  234   3HG2  ILE  58          3HG2      ILE  58  -1.642  -9.088  -3.594
  235   1HD1  ILE  58          1HD1      ILE  58  -0.853 -12.583  -3.206
  236   2HD1  ILE  58          2HD1      ILE  58  -1.169 -11.007  -3.933
  237   3HD1  ILE  58          3HD1      ILE  58  -2.496 -11.944  -3.250
  238    H    GLY  59           H        GLY  59  -4.339  -9.882  -0.188
  239   1HA   GLY  59          1HA       GLY  59  -5.511 -11.626   0.826
  240   2HA   GLY  59          2HA       GLY  59  -3.992 -12.230   1.475
  241    H    LYS  60           H        LYS  60  -4.338  -8.930   1.989
  242    HA   LYS  60           HA       LYS  60  -4.609  -9.305   4.817
  243   1HB   LYS  60          1HB       LYS  60  -3.119  -7.603   3.832
  244   2HB   LYS  60          2HB       LYS  60  -4.514  -6.798   3.130
  245   1HG   LYS  60          1HG       LYS  60  -3.848  -5.582   5.066
  246   2HG   LYS  60          2HG       LYS  60  -5.357  -6.413   5.450
  247   1HD   LYS  60          1HD       LYS  60  -4.258  -8.032   6.757
  248   2HD   LYS  60          2HD       LYS  60  -2.669  -7.589   6.117
  249   1HE   LYS  60          1HE       LYS  60  -3.080  -5.303   7.183
  250   2HE   LYS  60          2HE       LYS  60  -4.406  -6.075   8.046
  251   1HZ   LYS  60          1HZ       LYS  60  -1.530  -6.802   8.186
  252   2HZ   LYS  60          2HZ       LYS  60  -2.771  -7.700   8.915
  253   3HZ   LYS  60          3HZ       LYS  60  -2.466  -6.110   9.417
  254    H    ASN  61           H        ASN  61  -6.647 -10.230   4.983
  255    HA   ASN  61           HA       ASN  61  -8.878  -8.367   4.509
  256   1HB   ASN  61          1HB       ASN  61  -8.871 -11.391   4.378
  257   2HB   ASN  61          2HB       ASN  61 -10.328 -10.408   4.344
  258   1HD2  ASN  61          1HD2      ASN  61  -9.180  -8.304   2.738
  259   2HD2  ASN  61          2HD2      ASN  61  -9.030  -8.935   1.134
  260    H    PHE  62           H        PHE  62  -8.947  -7.445   6.472
  261    HA   PHE  62           HA       PHE  62  -9.906  -9.059   8.684
  262   1HB   PHE  62          1HB       PHE  62  -7.356  -7.438   8.836
  263   2HB   PHE  62          2HB       PHE  62  -8.260  -7.933  10.262
  264    HD1  PHE  62           HD1      PHE  62  -8.471 -10.358  10.798
  265    HD2  PHE  62           HD2      PHE  62  -5.928  -8.926   7.699
  266    HE1  PHE  62           HE1      PHE  62  -7.255 -12.498  10.811
  267    HE2  PHE  62           HE2      PHE  62  -4.705 -11.061   7.711
  268    HZ   PHE  62           HZ       PHE  62  -5.395 -12.864   9.285
  269    H    PHE  63           H        PHE  63 -10.991  -7.765  10.288
  270    HA   PHE  63           HA       PHE  63 -12.217  -5.410   9.385
  271   1HB   PHE  63          1HB       PHE  63 -11.841  -6.472  12.194
  272   2HB   PHE  63          2HB       PHE  63 -12.845  -5.078  11.807
  273    HD1  PHE  63           HD1      PHE  63 -14.847  -5.396  10.333
  274    HD2  PHE  63           HD2      PHE  63 -12.634  -8.664  11.920
  275    HE1  PHE  63           HE1      PHE  63 -16.745  -6.893   9.884
  276    HE2  PHE  63           HE2      PHE  63 -14.531 -10.169  11.475
  277    HZ   PHE  63           HZ       PHE  63 -16.595  -9.274  10.453
  278    H    LYS  64           H        LYS  64  -9.586  -5.879  11.711
  279    HA   LYS  64           HA       LYS  64  -8.110  -3.689  10.655
  280   1HB   LYS  64          1HB       LYS  64  -9.781  -2.487  12.080
  281   2HB   LYS  64          2HB       LYS  64  -9.161  -3.366  13.472
  282   1HG   LYS  64          1HG       LYS  64  -6.925  -2.374  13.034
  283   2HG   LYS  64          2HG       LYS  64  -7.656  -1.402  11.758
  284   1HD   LYS  64          1HD       LYS  64  -8.421  -1.349  14.675
  285   2HD   LYS  64          2HD       LYS  64  -7.441  -0.143  13.843
  286   1HE   LYS  64          1HE       LYS  64 -10.320  -0.823  13.249
  287   2HE   LYS  64          2HE       LYS  64  -9.741   0.616  14.085
  288   1HZ   LYS  64          1HZ       LYS  64  -8.348   0.726  11.796
  289   2HZ   LYS  64          2HZ       LYS  64  -9.823   1.516  12.058
  290   3HZ   LYS  64          3HZ       LYS  64  -9.796   0.022  11.256
  291    H    ASP  65           H        ASP  65  -6.006  -4.095  10.980
  292    HA   ASP  65           HA       ASP  65  -4.925  -5.044  13.409
  293   1HB   ASP  65          1HB       ASP  65  -5.801  -7.212  12.731
  294   2HB   ASP  65          2HB       ASP  65  -5.024  -7.063  11.156
  295    H    VAL  66           H        VAL  66  -3.028  -4.081  13.497
  296    HA   VAL  66           HA       VAL  66  -1.245  -4.117  11.223
  297    HB   VAL  66           HB       VAL  66  -2.662  -2.328  10.942
  298   1HG1  VAL  66          1HG1      VAL  66  -2.469  -0.360  12.355
  299   2HG1  VAL  66          2HG1      VAL  66  -1.426  -1.249  13.464
  300   3HG1  VAL  66          3HG1      VAL  66  -3.108  -1.735  13.257
  301   1HG2  VAL  66          1HG2      VAL  66  -0.474  -2.339   9.966
  302   2HG2  VAL  66          2HG2      VAL  66   0.223  -1.683  11.446
  303   3HG2  VAL  66          3HG2      VAL  66  -0.895  -0.709  10.491
  304    H    ALA  67           H        ALA  67  -1.145  -5.387  13.669
  305    HA   ALA  67           HA       ALA  67   0.148  -5.845  15.464
  306   1HB   ALA  67          1HB       ALA  67   2.455  -5.128  15.463
  307   2HB   ALA  67          2HB       ALA  67   2.102  -3.898  14.249
  308   3HB   ALA  67          3HB       ALA  67   1.973  -5.607  13.835
  309    HA   PRO  68           HA       PRO  68  -1.805  -2.724  17.959
  310   1HB   PRO  68          1HB       PRO  68  -0.746  -4.457  20.131
  311   2HB   PRO  68          2HB       PRO  68  -2.389  -3.871  19.852
  312   1HG   PRO  68          1HG       PRO  68  -1.751  -6.394  19.320
  313   2HG   PRO  68          2HG       PRO  68  -2.837  -5.488  18.251
  314   1HD   PRO  68          1HD       PRO  68   0.045  -6.183  17.876
  315   2HD   PRO  68          2HD       PRO  68  -1.270  -6.135  16.685
  316    H    CYS  69           H        CYS  69   1.553  -3.685  18.372
  317    HA   CYS  69           HA       CYS  69   1.959  -1.567  20.330
  318   1HB   CYS  69          1HB       CYS  69   3.881  -3.638  19.273
  319   2HB   CYS  69          2HB       CYS  69   4.251  -2.467  20.532
  320    H    THR  70           H        THR  70   2.233  -1.910  16.954
  321    HA   THR  70           HA       THR  70   4.288   0.198  16.884
  322    HB   THR  70           HB       THR  70   4.503  -0.553  14.608
  323    HG1  THR  70           HG1      THR  70   2.605  -1.969  14.779
  324   1HG2  THR  70          1HG2      THR  70   6.200  -0.782  16.311
  325   2HG2  THR  70          2HG2      THR  70   6.091  -2.265  15.363
  326   3HG2  THR  70          3HG2      THR  70   5.377  -2.194  16.975
  327    H    ASP  71           H        ASP  71   4.246   1.519  14.855
  328    HA   ASP  71           HA       ASP  71   1.619   1.848  13.632
  329   1HB   ASP  71          1HB       ASP  71   1.445   4.188  14.055
  330   2HB   ASP  71          2HB       ASP  71   1.778   3.440  15.611
  331    H    SER  72           H        SER  72   1.726   2.944  11.609
  332    HA   SER  72           HA       SER  72   2.599   3.083   9.523
  333   1HB   SER  72          1HB       SER  72   3.684   5.103  10.542
  334   2HB   SER  72          2HB       SER  72   5.099   4.113  10.897
  335    HG   SER  72           HG       SER  72   5.715   4.387   8.913
  336    HA   PRO  73           HA       PRO  73   4.640  -1.023  10.115
  337   1HB   PRO  73          1HB       PRO  73   3.302  -2.198   8.033
  338   2HB   PRO  73          2HB       PRO  73   2.687  -2.129   9.688
  339   1HG   PRO  73          1HG       PRO  73   2.025  -0.392   7.344
  340   2HG   PRO  73          2HG       PRO  73   0.946  -1.070   8.578
  341   1HD   PRO  73          1HD       PRO  73   1.764   1.495   8.650
  342   2HD   PRO  73          2HD       PRO  73   1.495   0.551  10.130
  343    H    GLU  74           H        GLU  74   3.831   0.299   6.904
  344    HA   GLU  74           HA       GLU  74   6.532   0.522   6.093
  345   1HB   GLU  74          1HB       GLU  74   6.386  -1.215   4.257
  346   2HB   GLU  74          2HB       GLU  74   6.577  -1.835   5.889
  347   1HG   GLU  74          1HG       GLU  74   4.049  -2.128   5.906
  348   2HG   GLU  74          2HG       GLU  74   4.120  -1.848   4.167
  349    H    PHE  75           H        PHE  75   3.254  -0.064   4.823
  350    HA   PHE  75           HA       PHE  75   3.691   2.092   2.890
  351   1HB   PHE  75          1HB       PHE  75   1.394   0.129   3.059
  352   2HB   PHE  75          2HB       PHE  75   1.676   1.289   1.765
  353    HD1  PHE  75           HD1      PHE  75   1.909  -2.043   2.565
  354    HD2  PHE  75           HD2      PHE  75   4.207   1.069   0.794
  355    HE1  PHE  75           HE1      PHE  75   3.246  -3.721   1.361
  356    HE2  PHE  75           HE2      PHE  75   5.547  -0.604  -0.415
  357    HZ   PHE  75           HZ       PHE  75   5.044  -3.022  -0.133
  358    H    TYR  76           H        TYR  76   3.421   3.944   4.089
  359    HA   TYR  76           HA       TYR  76   0.680   4.600   4.738
  360   1HB   TYR  76          1HB       TYR  76   1.578   3.573   6.838
  361   2HB   TYR  76          2HB       TYR  76   2.804   4.836   6.885
  362    HD1  TYR  76           HD1      TYR  76   2.230   7.101   7.523
  363    HD2  TYR  76           HD2      TYR  76  -0.762   4.087   7.289
  364    HE1  TYR  76           HE1      TYR  76   0.665   8.573   8.717
  365    HE2  TYR  76           HE2      TYR  76  -2.338   5.551   8.479
  366    HH   TYR  76           HH       TYR  76  -2.319   7.469   9.977
  367    H    GLY  77           H        GLY  77   0.437   6.448   3.635
  368   1HA   GLY  77          1HA       GLY  77   2.473   8.540   4.083
  369   2HA   GLY  77          2HA       GLY  77   1.758   8.278   2.493
  370    H    LYS  78           H        LYS  78   0.914   9.008   5.864
  371    HA   LYS  78           HA       LYS  78  -0.880  10.027   6.820
  372   1HB   LYS  78          1HB       LYS  78  -0.625  11.543   4.237
  373   2HB   LYS  78          2HB       LYS  78  -1.968  11.875   5.322
  374   1HG   LYS  78          1HG       LYS  78  -0.200  13.452   5.725
  375   2HG   LYS  78          2HG       LYS  78  -0.360  12.384   7.118
  376   1HD   LYS  78          1HD       LYS  78   1.544  11.051   6.265
  377   2HD   LYS  78          2HD       LYS  78   1.723  12.201   4.939
  378   1HE   LYS  78          1HE       LYS  78   3.316  12.721   6.674
  379   2HE   LYS  78          2HE       LYS  78   2.101  13.997   6.590
  380   1HZ   LYS  78          1HZ       LYS  78   2.175  11.783   8.576
  381   2HZ   LYS  78          2HZ       LYS  78   0.976  12.981   8.491
  382   3HZ   LYS  78          3HZ       LYS  78   2.571  13.407   8.872
  383    H    PHE  79           H        PHE  79  -1.315   7.586   5.754
  384    HA   PHE  79           HA       PHE  79  -3.311   7.264   3.851
  385   1HB   PHE  79          1HB       PHE  79  -1.800   5.480   4.760
  386   2HB   PHE  79          2HB       PHE  79  -2.780   5.457   6.219
  387    HD1  PHE  79           HD1      PHE  79  -4.790   4.229   6.316
  388    HD2  PHE  79           HD2      PHE  79  -2.822   4.809   2.587
  389    HE1  PHE  79           HE1      PHE  79  -6.272   2.560   5.280
  390    HE2  PHE  79           HE2      PHE  79  -4.304   3.147   1.542
  391    HZ   PHE  79           HZ       PHE  79  -6.029   2.020   2.887
  392    H    LYS  80           H        LYS  80  -3.546   7.869   7.328
  393    HA   LYS  80           HA       LYS  80  -6.252   7.234   7.700
  394   1HB   LYS  80          1HB       LYS  80  -4.647   7.647   9.537
  395   2HB   LYS  80          2HB       LYS  80  -4.611   9.351   9.109
  396   1HG   LYS  80          1HG       LYS  80  -6.980   9.547   9.663
  397   2HG   LYS  80          2HG       LYS  80  -7.024   7.833  10.084
  398   1HD   LYS  80          1HD       LYS  80  -6.805   9.148  12.101
  399   2HD   LYS  80          2HD       LYS  80  -5.305   8.260  11.818
  400   1HE   LYS  80          1HE       LYS  80  -4.364  10.303  10.763
  401   2HE   LYS  80          2HE       LYS  80  -5.829  11.169  11.219
  402   1HZ   LYS  80          1HZ       LYS  80  -3.873   9.912  13.064
  403   2HZ   LYS  80          2HZ       LYS  80  -5.321  10.651  13.553
  404   3HZ   LYS  80          3HZ       LYS  80  -4.102  11.572  12.817
  405    H    GLU  81           H        GLU  81  -4.675  10.118   6.499
  406    HA   GLU  81           HA       GLU  81  -7.149  11.630   6.436
  407   1HB   GLU  81          1HB       GLU  81  -5.158  12.845   7.037
  408   2HB   GLU  81          2HB       GLU  81  -4.316  12.280   5.603
  409   1HG   GLU  81          1HG       GLU  81  -5.648  13.628   4.185
  410   2HG   GLU  81          2HG       GLU  81  -6.760  14.016   5.498
  411    H    GLY  82           H        GLY  82  -4.952   9.992   4.258
  412   1HA   GLY  82          1HA       GLY  82  -5.847  10.884   1.820
  413   2HA   GLY  82          2HA       GLY  82  -5.134   9.322   2.116
  414    H    VAL  83           H        VAL  83  -6.944   8.255   3.822
  415    HA   VAL  83           HA       VAL  83  -8.893   7.266   1.972
  416    HB   VAL  83           HB       VAL  83  -8.585   6.965   4.810
  417   1HG1  VAL  83          1HG1      VAL  83  -9.947   4.946   4.457
  418   2HG1  VAL  83          2HG1      VAL  83 -10.203   5.418   2.778
  419   3HG1  VAL  83          3HG1      VAL  83 -10.852   6.411   4.082
  420   1HG2  VAL  83          1HG2      VAL  83  -7.512   4.875   4.177
  421   2HG2  VAL  83          2HG2      VAL  83  -6.638   6.271   3.543
  422   3HG2  VAL  83          3HG2      VAL  83  -7.663   5.311   2.475
  423    H    ALA  84           H        ALA  84  -9.066   9.238   4.932
  424    HA   ALA  84           HA       ALA  84 -11.923   9.126   4.936
  425   1HB   ALA  84          1HB       ALA  84 -10.667   9.173   7.039
  426   2HB   ALA  84          2HB       ALA  84 -11.801  10.520   6.930
  427   3HB   ALA  84          3HB       ALA  84 -10.082  10.788   6.646
  428    H    SER  85           H        SER  85  -9.489  11.434   3.984
  429    HA   SER  85           HA       SER  85 -11.390  13.492   3.374
  430   1HB   SER  85          1HB       SER  85  -8.543  13.037   2.472
  431   2HB   SER  85          2HB       SER  85  -9.499  14.434   1.974
  432    HG   SER  85           HG       SER  85  -9.781  14.855   4.271
  433    H    GLY  86           H        GLY  86 -10.258  10.624   1.825
  434   1HA   GLY  86          1HA       GLY  86 -11.325   9.462   0.134
  435   2HA   GLY  86          2HA       GLY  86 -12.436  10.813  -0.052
  436    H    ASN  87           H        ASN  87  -8.945  11.050  -0.168
  437    HA   ASN  87           HA       ASN  87  -8.874  11.059  -3.030
  438   1HB   ASN  87          1HB       ASN  87  -8.157  13.408  -3.331
  439   2HB   ASN  87          2HB       ASN  87  -9.814  13.279  -2.758
  440   1HD2  ASN  87          1HD2      ASN  87 -10.338  14.053  -0.732
  441   2HD2  ASN  87          2HD2      ASN  87  -9.248  15.023   0.207
  442    H    LEU  88           H        LEU  88  -7.500   9.477  -1.447
  443    HA   LEU  88           HA       LEU  88  -4.899  10.447  -0.829
  444   1HB   LEU  88          1HB       LEU  88  -6.297   8.233  -0.155
  445   2HB   LEU  88          2HB       LEU  88  -5.198   7.576  -1.357
  446    HG   LEU  88           HG       LEU  88  -4.393   9.179   1.010
  447   1HD1  LEU  88          1HD1      LEU  88  -4.309   6.195   0.592
  448   2HD1  LEU  88          2HD1      LEU  88  -5.338   7.065   1.730
  449   3HD1  LEU  88          3HD1      LEU  88  -3.590   7.045   1.960
  450   1HD2  LEU  88          1HD2      LEU  88  -2.749   7.574  -0.934
  451   2HD2  LEU  88          2HD2      LEU  88  -2.126   8.357   0.519
  452   3HD2  LEU  88          3HD2      LEU  88  -2.788   9.330  -0.794
  453    H    ASN  89           H        ASN  89  -4.201  11.453  -2.780
  454    HA   ASN  89           HA       ASN  89  -2.930   9.489  -4.507
  455   1HB   ASN  89          1HB       ASN  89  -3.584  10.582  -6.571
  456   2HB   ASN  89          2HB       ASN  89  -5.029  10.157  -5.669
  457   1HD2  ASN  89          1HD2      ASN  89  -6.239  11.811  -4.684
  458   2HD2  ASN  89          2HD2      ASN  89  -6.120  13.447  -5.220
  459    H    THR  90           H        THR  90  -0.874   9.884  -3.881
  460    HA   THR  90           HA       THR  90   0.355  12.296  -4.753
  461    HB   THR  90           HB       THR  90  -0.747  12.967  -2.815
  462    HG1  THR  90           HG1      THR  90   1.765  13.378  -2.006
  463   1HG2  THR  90          1HG2      THR  90  -0.578  10.986  -1.445
  464   2HG2  THR  90          2HG2      THR  90   0.240  12.333  -0.656
  465   3HG2  THR  90          3HG2      THR  90   1.182  11.085  -1.472
  466    H    MET  91           H        MET  91   2.634  12.344  -4.294
  467    HA   MET  91           HA       MET  91   3.732   9.666  -3.814
  468   1HB   MET  91          1HB       MET  91   5.812  10.557  -4.857
  469   2HB   MET  91          2HB       MET  91   4.427  10.542  -5.939
  470   1HG   MET  91          1HG       MET  91   4.107  12.936  -5.548
  471   2HG   MET  91          2HG       MET  91   5.496  12.939  -4.464
  472   1HE   MET  91          1HE       MET  91   6.802  14.900  -7.580
  473   2HE   MET  91          2HE       MET  91   6.584  14.924  -5.831
  474   3HE   MET  91          3HE       MET  91   5.177  14.935  -6.894
  475    H    PHE  92           H        PHE  92   5.093   9.281  -2.194
  476    HA   PHE  92           HA       PHE  92   6.218  11.459  -0.629
  477   1HB   PHE  92          1HB       PHE  92   4.104  11.145   0.497
  478   2HB   PHE  92          2HB       PHE  92   4.304   9.397   0.495
  479    HD1  PHE  92           HD1      PHE  92   5.818  12.517   1.816
  480    HD2  PHE  92           HD2      PHE  92   5.247   8.334   2.332
  481    HE1  PHE  92           HE1      PHE  92   6.865  12.653   4.035
  482    HE2  PHE  92           HE2      PHE  92   6.297   8.461   4.554
  483    HZ   PHE  92           HZ       PHE  92   7.107  10.592   5.412
  484    H    GLU  93           H        GLU  93   8.246  10.927  -0.053
  485    HA   GLU  93           HA       GLU  93   9.019   8.156  -0.498
  486   1HB   GLU  93          1HB       GLU  93  11.368   9.026  -0.422
  487   2HB   GLU  93          2HB       GLU  93  10.384   9.605  -1.752
  488   1HG   GLU  93          1HG       GLU  93   9.985  11.683  -0.338
  489   2HG   GLU  93          2HG       GLU  93  11.302  11.094   0.678
  490    H    TYR  94           H        TYR  94   9.800   6.851   0.975
  491    HA   TYR  94           HA       TYR  94   9.490   7.746   3.758
  492   1HB   TYR  94          1HB       TYR  94   7.912   5.992   2.739
  493   2HB   TYR  94          2HB       TYR  94   9.296   4.912   2.727
  494    HD1  TYR  94           HD1      TYR  94   9.600   3.505   4.537
  495    HD2  TYR  94           HD2      TYR  94   7.395   7.105   5.079
  496    HE1  TYR  94           HE1      TYR  94   9.043   2.812   6.829
  497    HE2  TYR  94           HE2      TYR  94   6.837   6.425   7.377
  498    HH   TYR  94           HH       TYR  94   8.338   3.729   8.914
  499    H    THR  95           H        THR  95  11.555   8.334   4.227
  500    HA   THR  95           HA       THR  95  13.748   6.570   3.489
  501    HB   THR  95           HB       THR  95  13.885   8.978   5.033
  502    HG1  THR  95           HG1      THR  95  12.747   8.799   2.721
  503   1HG2  THR  95          1HG2      THR  95  15.895   7.574   4.867
  504   2HG2  THR  95          2HG2      THR  95  16.075   9.092   3.987
  505   3HG2  THR  95          3HG2      THR  95  15.753   7.595   3.110
  506    H    PHE  96           H        PHE  96  15.184   5.705   4.997
  507    HA   PHE  96           HA       PHE  96  14.032   4.706   7.360
  508   1HB   PHE  96          1HB       PHE  96  16.451   3.967   7.826
  509   2HB   PHE  96          2HB       PHE  96  15.659   3.327   6.392
  510    HD1  PHE  96           HD1      PHE  96  18.427   5.255   7.666
  511    HD2  PHE  96           HD2      PHE  96  16.235   4.273   4.152
  512    HE1  PHE  96           HE1      PHE  96  20.300   6.040   6.280
  513    HE2  PHE  96           HE2      PHE  96  18.103   5.056   2.759
  514    HZ   PHE  96           HZ       PHE  96  20.141   5.940   3.825
  515    H    ASP  97           H        ASP  97  13.528   5.966   8.998
  516    HA   ASP  97           HA       ASP  97  15.682   7.439  10.304
  517   1HB   ASP  97          1HB       ASP  97  14.334   9.065   8.918
  518   2HB   ASP  97          2HB       ASP  97  12.937   8.658   9.911
  519    H    TYR  98           H        TYR  98  15.337   5.253  11.319
  520    HA   TYR  98           HA       TYR  98  14.214   5.421  13.847
  521   1HB   TYR  98          1HB       TYR  98  12.073   5.350  12.345
  522   2HB   TYR  98          2HB       TYR  98  12.471   3.649  12.127
  523    HD1  TYR  98           HD1      TYR  98  11.264   2.218  13.461
  524    HD2  TYR  98           HD2      TYR  98  12.305   6.040  15.008
  525    HE1  TYR  98           HE1      TYR  98  10.105   1.677  15.561
  526    HE2  TYR  98           HE2      TYR  98  11.143   5.514  17.110
  527    HH   TYR  98           HH       TYR  98   9.223   3.949  17.810
  528    H    GLN  99           H        GLN  99  13.385   2.542  13.890
  529    HA   GLN  99           HA       GLN  99  16.002   1.381  13.961
  530   1HB   GLN  99          1HB       GLN  99  14.844  -0.675  14.675
  531   2HB   GLN  99          2HB       GLN  99  14.375   0.723  15.626
  532   1HG   GLN  99          1HG       GLN  99  12.313  -0.099  15.306
  533   2HG   GLN  99          2HG       GLN  99  12.431   0.769  13.777
  534   1HE2  GLN  99          1HE2      GLN  99  12.603  -0.379  11.877
  535   2HE2  GLN  99          2HE2      GLN  99  12.409  -2.093  11.791
  536    H    MET 100           H        MET 100  13.930   1.978  11.485
  537    HA   MET 100           HA       MET 100  14.180  -0.379   9.919
  538   1HB   MET 100          1HB       MET 100  12.425   1.314   9.524
  539   2HB   MET 100          2HB       MET 100  13.656   2.476   9.052
  540   1HG   MET 100          1HG       MET 100  12.599   1.565   7.095
  541   2HG   MET 100          2HG       MET 100  14.279   1.038   7.168
  542   1HE   MET 100          1HE       MET 100  11.199  -0.376   9.241
  543   2HE   MET 100          2HE       MET 100  10.645  -1.641   8.142
  544   3HE   MET 100          3HE       MET 100  10.542   0.052   7.661
  545    H    THR 101           H        THR 101  15.730  -0.982   8.501
  546    HA   THR 101           HA       THR 101  18.275   0.337   8.712
  547    HB   THR 101           HB       THR 101  18.857  -1.386   7.143
  548    HG1  THR 101           HG1      THR 101  17.323  -3.059   7.040
  549   1HG2  THR 101          1HG2      THR 101  17.731  -1.984   9.871
  550   2HG2  THR 101          2HG2      THR 101  19.363  -1.418   9.516
  551   3HG2  THR 101          3HG2      THR 101  18.848  -3.018   8.978
  552    HA   PRO 102           HA       PRO 102  18.587   2.697   5.027
  553   1HB   PRO 102          1HB       PRO 102  20.648   0.888   3.883
  554   2HB   PRO 102          2HB       PRO 102  20.703   2.632   4.164
  555   1HG   PRO 102          1HG       PRO 102  22.017   0.971   5.769
  556   2HG   PRO 102          2HG       PRO 102  21.172   2.386   6.426
  557   1HD   PRO 102          1HD       PRO 102  20.357  -0.492   6.452
  558   2HD   PRO 102          2HD       PRO 102  20.183   0.743   7.717
  559    H    THR 103           H        THR 103  16.471   1.943   4.356
  560    HA   THR 103           HA       THR 103  16.682   0.920   1.616
  561    HB   THR 103           HB       THR 103  14.554   0.365   3.485
  562    HG1  THR 103           HG1      THR 103  16.580  -0.761   3.889
  563   1HG2  THR 103          1HG2      THR 103  13.823   0.525   1.169
  564   2HG2  THR 103          2HG2      THR 103  13.829  -1.152   1.713
  565   3HG2  THR 103          3HG2      THR 103  15.123  -0.559   0.674
  566    H    LYS 104           H        LYS 104  16.416   2.910   0.675
  567    HA   LYS 104           HA       LYS 104  14.298   4.655   1.670
  568   1HB   LYS 104          1HB       LYS 104  16.516   5.630   1.229
  569   2HB   LYS 104          2HB       LYS 104  16.377   5.174  -0.463
  570   1HG   LYS 104          1HG       LYS 104  14.539   6.680  -0.780
  571   2HG   LYS 104          2HG       LYS 104  14.480   7.034   0.946
  572   1HD   LYS 104          1HD       LYS 104  16.738   8.008   0.801
  573   2HD   LYS 104          2HD       LYS 104  16.744   7.698  -0.938
  574   1HE   LYS 104          1HE       LYS 104  14.665   9.377   0.451
  575   2HE   LYS 104          2HE       LYS 104  16.138  10.045  -0.247
  576   1HZ   LYS 104          1HZ       LYS 104  15.454   9.502  -2.392
  577   2HZ   LYS 104          2HZ       LYS 104  14.034  10.074  -1.655
  578   3HZ   LYS 104          3HZ       LYS 104  14.281   8.404  -1.862
  579    H    VAL 105           H        VAL 105  12.364   4.102   0.963
  580    HA   VAL 105           HA       VAL 105  11.991   3.646  -1.912
  581    HB   VAL 105           HB       VAL 105   9.989   2.665  -1.355
  582   1HG1  VAL 105          1HG1      VAL 105  11.993   1.360  -1.827
  583   2HG1  VAL 105          2HG1      VAL 105  11.011   0.578  -0.588
  584   3HG1  VAL 105          3HG1      VAL 105  12.468   1.461  -0.130
  585   1HG2  VAL 105          1HG2      VAL 105  11.003   2.891   1.467
  586   2HG2  VAL 105          2HG2      VAL 105   9.636   1.907   0.947
  587   3HG2  VAL 105          3HG2      VAL 105   9.562   3.663   0.800
  588    H    LYS 106           H        LYS 106   9.832   4.349  -2.713
  589    HA   LYS 106           HA       LYS 106   8.608   6.443  -1.085
  590   1HB   LYS 106          1HB       LYS 106   8.645   8.121  -2.779
  591   2HB   LYS 106          2HB       LYS 106  10.292   7.566  -2.549
  592   1HG   LYS 106          1HG       LYS 106  10.112   6.204  -4.575
  593   2HG   LYS 106          2HG       LYS 106   8.461   6.785  -4.805
  594   1HD   LYS 106          1HD       LYS 106  10.976   8.454  -4.802
  595   2HD   LYS 106          2HD       LYS 106   9.975   8.062  -6.200
  596   1HE   LYS 106          1HE       LYS 106   8.122   9.322  -5.264
  597   2HE   LYS 106          2HE       LYS 106   9.054   9.645  -3.802
  598   1HZ   LYS 106          1HZ       LYS 106   9.133  11.554  -5.222
  599   2HZ   LYS 106          2HZ       LYS 106   9.655  10.631  -6.542
  600   3HZ   LYS 106          3HZ       LYS 106  10.673  10.850  -5.201
  601    H    VAL 107           H        VAL 107   6.471   6.873  -1.554
  602    HA   VAL 107           HA       VAL 107   5.204   4.765  -3.143
  603    HB   VAL 107           HB       VAL 107   3.210   5.499  -2.164
  604   1HG1  VAL 107          1HG1      VAL 107   4.426   3.528  -1.413
  605   2HG1  VAL 107          2HG1      VAL 107   3.733   4.376  -0.031
  606   3HG1  VAL 107          3HG1      VAL 107   5.454   4.528  -0.387
  607   1HG2  VAL 107          1HG2      VAL 107   3.891   7.745  -1.493
  608   2HG2  VAL 107          2HG2      VAL 107   5.026   7.049  -0.335
  609   3HG2  VAL 107          3HG2      VAL 107   3.295   6.790  -0.135
  610    H    HIS 108           H        HIS 108   3.958   5.177  -4.842
  611    HA   HIS 108           HA       HIS 108   2.937   7.923  -5.088
  612   1HB   HIS 108          1HB       HIS 108   4.385   7.150  -7.022
  613   2HB   HIS 108          2HB       HIS 108   3.187   5.898  -7.334
  614    HD1  HIS 108           HD1      HIS 108   2.056   6.628  -9.431
  615    HD2  HIS 108           HD2      HIS 108   2.528   9.752  -6.719
  616    HE1  HIS 108           HE1      HIS 108   0.854   8.595 -10.439
  617    HE2  HIS 108           HE2      HIS 108   1.000  10.417  -8.701
  618    H    MET 109           H        MET 109   1.067   7.816  -4.075
  619    HA   MET 109           HA       MET 109  -0.580   5.402  -4.372
  620   1HB   MET 109          1HB       MET 109  -0.657   7.618  -2.308
  621   2HB   MET 109          2HB       MET 109  -1.821   6.304  -2.393
  622   1HG   MET 109          1HG       MET 109  -0.051   4.686  -1.992
  623   2HG   MET 109          2HG       MET 109   1.136   5.986  -1.944
  624   1HE   MET 109          1HE       MET 109   1.926   4.907   0.400
  625   2HE   MET 109          2HE       MET 109   0.623   3.721   0.369
  626   3HE   MET 109          3HE       MET 109   0.863   4.729   1.795
  627    H    LYS 110           H        LYS 110  -2.741   5.578  -4.997
  628    HA   LYS 110           HA       LYS 110  -3.707   8.215  -5.677
  629   1HB   LYS 110          1HB       LYS 110  -4.125   7.733  -8.020
  630   2HB   LYS 110          2HB       LYS 110  -2.406   7.604  -7.679
  631   1HG   LYS 110          1HG       LYS 110  -2.536   5.203  -7.686
  632   2HG   LYS 110          2HG       LYS 110  -4.291   5.265  -7.856
  633   1HD   LYS 110          1HD       LYS 110  -3.949   6.469 -10.028
  634   2HD   LYS 110          2HD       LYS 110  -2.220   6.147  -9.864
  635   1HE   LYS 110          1HE       LYS 110  -2.673   3.747  -9.817
  636   2HE   LYS 110          2HE       LYS 110  -4.401   4.063  -9.966
  637   1HZ   LYS 110          1HZ       LYS 110  -3.919   5.154 -12.116
  638   2HZ   LYS 110          2HZ       LYS 110  -3.531   3.509 -12.103
  639   3HZ   LYS 110          3HZ       LYS 110  -2.299   4.666 -11.976
  640    H    LYS 111           H        LYS 111  -5.757   8.285  -5.084
  641    HA   LYS 111           HA       LYS 111  -7.415   6.183  -4.554
  642   1HB   LYS 111          1HB       LYS 111  -7.861   8.462  -3.960
  643   2HB   LYS 111          2HB       LYS 111  -7.936   8.936  -5.644
  644   1HG   LYS 111          1HG       LYS 111  -9.959   7.551  -5.924
  645   2HG   LYS 111          2HG       LYS 111  -9.899   7.161  -4.203
  646   1HD   LYS 111          1HD       LYS 111 -10.174   9.490  -3.628
  647   2HD   LYS 111          2HD       LYS 111 -10.105   9.948  -5.330
  648   1HE   LYS 111          1HE       LYS 111 -12.164   8.700  -5.753
  649   2HE   LYS 111          2HE       LYS 111 -12.220   8.201  -4.063
  650   1HZ   LYS 111          1HZ       LYS 111 -13.687  10.058  -4.421
  651   2HZ   LYS 111          2HZ       LYS 111 -12.435  10.984  -5.086
  652   3HZ   LYS 111          3HZ       LYS 111 -12.397  10.558  -3.448
  653    H    ALA 112           H        ALA 112  -7.843   4.558  -5.831
  654    HA   ALA 112           HA       ALA 112  -7.404   4.295  -8.520
  655   1HB   ALA 112          1HB       ALA 112  -9.504   2.888  -6.872
  656   2HB   ALA 112          2HB       ALA 112  -7.815   2.409  -7.037
  657   3HB   ALA 112          3HB       ALA 112  -8.889   2.351  -8.434
  658    H    LEU 113           H        LEU 113  -8.480   4.921 -10.332
  659    HA   LEU 113           HA       LEU 113 -10.477   6.917 -10.055
  660   1HB   LEU 113          1HB       LEU 113  -9.177   5.581 -12.395
  661   2HB   LEU 113          2HB       LEU 113 -10.574   6.607 -12.648
  662    HG   LEU 113           HG       LEU 113  -8.523   7.844 -13.048
  663   1HD1  LEU 113          1HD1      LEU 113  -8.906   9.743 -11.563
  664   2HD1  LEU 113          2HD1      LEU 113  -9.881   8.723 -10.503
  665   3HD1  LEU 113          3HD1      LEU 113 -10.425   9.062 -12.145
  666   1HD2  LEU 113          1HD2      LEU 113  -6.987   6.619 -11.641
  667   2HD2  LEU 113          2HD2      LEU 113  -7.824   7.174 -10.193
  668   3HD2  LEU 113          3HD2      LEU 113  -6.959   8.329 -11.208
  669    H    SER 114           H        SER 114 -10.756   3.600 -10.006
  670    HA   SER 114           HA       SER 114 -13.330   3.344 -11.200
  671   1HB   SER 114          1HB       SER 114 -13.309   1.203  -9.721
  672   2HB   SER 114          2HB       SER 114 -12.142   1.330 -11.037
  673    HG   SER 114           HG       SER 114 -11.584   0.860  -8.557
  674    H    GLY 115           H        GLY 115 -12.137   3.821  -7.879
  675   1HA   GLY 115          1HA       GLY 115 -13.687   5.564  -6.783
  676   2HA   GLY 115          2HA       GLY 115 -14.912   4.336  -7.041
  677    H    ASP 116           H        ASP 116 -13.494   5.666  -4.670
  678    HA   ASP 116           HA       ASP 116 -12.836   5.136  -2.557
  679   1HB   ASP 116          1HB       ASP 116 -15.134   3.303  -3.144
  680   2HB   ASP 116          2HB       ASP 116 -14.399   3.369  -1.543
  681    H    SER 117           H        SER 117 -10.926   4.179  -4.012
  682    HA   SER 117           HA       SER 117  -9.880   2.101  -2.348
  683   1HB   SER 117          1HB       SER 117  -9.104   0.847  -4.499
  684   2HB   SER 117          2HB       SER 117 -10.693   0.520  -3.812
  685    HG   SER 117           HG       SER 117 -11.500   2.128  -5.341
  686    H    TYR 118           H        TYR 118  -7.528   1.944  -2.693
  687    HA   TYR 118           HA       TYR 118  -6.461   4.272  -4.138
  688   1HB   TYR 118          1HB       TYR 118  -5.692   3.673  -1.271
  689   2HB   TYR 118          2HB       TYR 118  -5.197   5.054  -2.254
  690    HD1  TYR 118           HD1      TYR 118  -7.687   3.686  -0.088
  691    HD2  TYR 118           HD2      TYR 118  -6.870   6.777  -2.859
  692    HE1  TYR 118           HE1      TYR 118  -9.590   4.966   0.808
  693    HE2  TYR 118           HE2      TYR 118  -8.777   8.084  -1.986
  694    HH   TYR 118           HH       TYR 118 -10.847   7.731  -0.747
  695    H    TRP 119           H        TRP 119  -4.518   3.935  -5.110
  696    HA   TRP 119           HA       TRP 119  -3.397   1.273  -4.870
  697   1HB   TRP 119          1HB       TRP 119  -2.880   3.587  -6.725
  698   2HB   TRP 119          2HB       TRP 119  -1.939   2.083  -6.757
  699    HD1  TRP 119           HD1      TRP 119  -5.661   3.190  -7.148
  700    HE1  TRP 119           HE1      TRP 119  -6.744   1.546  -8.838
  701    HE3  TRP 119           HE3      TRP 119  -1.675   0.124  -7.967
  702    HZ2  TRP 119           HZ2      TRP 119  -5.966  -0.772 -10.297
  703    HZ3  TRP 119           HZ3      TRP 119  -1.895  -1.742  -9.495
  704    HH2  TRP 119           HH2      TRP 119  -3.998  -2.195 -10.663
  705    H    VAL 120           H        VAL 120  -1.130   0.982  -4.818
  706    HA   VAL 120           HA       VAL 120   0.458   3.070  -3.505
  707    HB   VAL 120           HB       VAL 120   0.298   0.290  -2.766
  708   1HG1  VAL 120          1HG1      VAL 120   2.538   1.252  -2.552
  709   2HG1  VAL 120          2HG1      VAL 120   1.810   0.983  -0.969
  710   3HG1  VAL 120          3HG1      VAL 120   1.873   2.611  -1.646
  711   1HG2  VAL 120          1HG2      VAL 120  -0.606   1.140  -0.664
  712   2HG2  VAL 120          2HG2      VAL 120  -1.673   1.478  -2.027
  713   3HG2  VAL 120          3HG2      VAL 120  -0.670   2.764  -1.352
  714    H    PHE 121           H        PHE 121   1.705   3.353  -5.344
  715    HA   PHE 121           HA       PHE 121   3.166   1.023  -6.391
  716   1HB   PHE 121          1HB       PHE 121   3.189   3.904  -7.333
  717   2HB   PHE 121          2HB       PHE 121   3.986   2.559  -8.128
  718    HD1  PHE 121           HD1      PHE 121   0.695   3.997  -7.276
  719    HD2  PHE 121           HD2      PHE 121   2.814   1.149  -9.620
  720    HE1  PHE 121           HE1      PHE 121  -1.336   3.582  -8.599
  721    HE2  PHE 121           HE2      PHE 121   0.785   0.730 -10.946
  722    HZ   PHE 121           HZ       PHE 121  -1.263   1.990 -10.493
  723    H    VAL 122           H        VAL 122   5.011   0.550  -5.303
  724    HA   VAL 122           HA       VAL 122   6.486   2.803  -4.108
  725    HB   VAL 122           HB       VAL 122   7.503   1.266  -2.746
  726   1HG1  VAL 122          1HG1      VAL 122   5.589   2.595  -2.044
  727   2HG1  VAL 122          2HG1      VAL 122   5.540   0.990  -1.315
  728   3HG1  VAL 122          3HG1      VAL 122   4.492   1.369  -2.683
  729   1HG2  VAL 122          1HG2      VAL 122   7.261  -0.764  -4.042
  730   2HG2  VAL 122          2HG2      VAL 122   5.506  -0.667  -3.902
  731   3HG2  VAL 122          3HG2      VAL 122   6.492  -0.941  -2.466
  732    H    LYS 123           H        LYS 123   8.730   2.910  -4.233
  733    HA   LYS 123           HA       LYS 123  10.206   0.851  -5.560
  734   1HB   LYS 123          1HB       LYS 123  11.065   2.241  -7.402
  735   2HB   LYS 123          2HB       LYS 123   9.340   1.949  -7.536
  736   1HG   LYS 123          1HG       LYS 123   8.909   4.196  -6.635
  737   2HG   LYS 123          2HG       LYS 123  10.651   4.484  -6.577
  738   1HD   LYS 123          1HD       LYS 123  10.769   4.085  -9.012
  739   2HD   LYS 123          2HD       LYS 123   9.019   3.879  -9.045
  740   1HE   LYS 123          1HE       LYS 123   8.729   6.171  -8.261
  741   2HE   LYS 123          2HE       LYS 123  10.480   6.379  -8.206
  742   1HZ   LYS 123          1HZ       LYS 123   9.655   7.317 -10.232
  743   2HZ   LYS 123          2HZ       LYS 123   8.817   5.894 -10.624
  744   3HZ   LYS 123          3HZ       LYS 123  10.512   5.903 -10.624
  745    H    ARG 124           H        ARG 124  12.415   1.034  -5.292
  746    HA   ARG 124           HA       ARG 124  13.091   2.768  -3.063
  747   1HB   ARG 124          1HB       ARG 124  15.220   1.342  -3.049
  748   2HB   ARG 124          2HB       ARG 124  13.710   0.574  -2.587
  749   1HG   ARG 124          1HG       ARG 124  13.539  -0.440  -4.806
  750   2HG   ARG 124          2HG       ARG 124  15.051   0.343  -5.278
  751   1HD   ARG 124          1HD       ARG 124  16.277  -0.886  -3.625
  752   2HD   ARG 124          2HD       ARG 124  14.791  -1.548  -2.948
  753    HE   ARG 124           HE       ARG 124  14.658  -2.490  -5.439
  754   1HH1  ARG 124          1HH1      ARG 124  17.432  -2.277  -3.316
  755   2HH1  ARG 124          2HH1      ARG 124  18.121  -3.781  -3.840
  756   1HH2  ARG 124          1HH2      ARG 124  15.562  -4.491  -6.140
  757   2HH2  ARG 124          2HH2      ARG 124  17.068  -5.033  -5.448
  758    H    VAL 125           H        VAL 125  13.684   4.719  -3.635
  759    HA   VAL 125           HA       VAL 125  16.062   4.995  -5.273
  760    HB   VAL 125           HB       VAL 125  14.477   5.305  -6.755
  761   1HG1  VAL 125          1HG1      VAL 125  12.720   6.997  -6.541
  762   2HG1  VAL 125          2HG1      VAL 125  13.193   7.265  -4.863
  763   3HG1  VAL 125          3HG1      VAL 125  12.541   5.703  -5.358
  764   1HG2  VAL 125          1HG2      VAL 125  15.567   7.939  -5.808
  765   2HG2  VAL 125          2HG2      VAL 125  14.895   7.623  -7.407
  766   3HG2  VAL 125          3HG2      VAL 125  16.361   6.791  -6.887
  767    H2   HC4 169           H2       HC4 169   3.275  -5.856  23.645
  768    H3   HC4 169           H3       HC4 169   4.754  -6.374  25.145
  769    H2'  HC4 169           H2'      HC4 169   6.838  -6.366  26.362
  770    H3'  HC4 169           H3'      HC4 169   9.208  -5.799  26.645
  771    H5'  HC4 169           H5'      HC4 169   8.996  -3.295  23.206
  772    H6'  HC4 169           H6'      HC4 169   6.662  -3.955  22.878
  773   'HO4  HC4 169          'HO4      HC4 169  11.073  -4.885  25.426
  Start of MODEL    5
    1    H    LEU  26           H        LEU  26   6.714  -5.885 -13.328
    2    HA   LEU  26           HA       LEU  26   8.346  -4.441 -14.395
    3   1HB   LEU  26          1HB       LEU  26   6.811  -3.634 -16.165
    4   2HB   LEU  26          2HB       LEU  26   5.911  -2.740 -14.956
    5    HG   LEU  26           HG       LEU  26   7.987  -1.408 -14.498
    6   1HD1  LEU  26          1HD1      LEU  26   9.756  -1.441 -16.187
    7   2HD1  LEU  26          2HD1      LEU  26   8.973  -2.807 -16.979
    8   3HD1  LEU  26          3HD1      LEU  26   9.626  -2.989 -15.351
    9   1HD2  LEU  26          1HD2      LEU  26   7.762  -0.012 -16.486
   10   2HD2  LEU  26          2HD2      LEU  26   6.185  -0.556 -15.913
   11   3HD2  LEU  26          3HD2      LEU  26   6.924  -1.320 -17.320
   12    H    ALA  27           H        ALA  27   9.363  -3.730 -12.684
   13    HA   ALA  27           HA       ALA  27   9.899  -2.671 -10.765
   14   1HB   ALA  27          1HB       ALA  27   8.634  -0.772  -9.989
   15   2HB   ALA  27          2HB       ALA  27   7.254  -1.243 -10.981
   16   3HB   ALA  27          3HB       ALA  27   8.754  -0.721 -11.748
   17    H    PHE  28           H        PHE  28   9.743  -2.997  -8.581
   18    HA   PHE  28           HA       PHE  28   7.603  -4.819  -7.715
   19   1HB   PHE  28          1HB       PHE  28  10.344  -4.252  -6.568
   20   2HB   PHE  28          2HB       PHE  28   9.147  -5.267  -5.774
   21    HD1  PHE  28           HD1      PHE  28  11.473  -4.994  -8.591
   22    HD2  PHE  28           HD2      PHE  28   8.652  -7.467  -6.585
   23    HE1  PHE  28           HE1      PHE  28  12.299  -6.945  -9.839
   24    HE2  PHE  28           HE2      PHE  28   9.473  -9.423  -7.829
   25    HZ   PHE  28           HZ       PHE  28  11.300  -9.162  -9.459
   26    H    GLY  29           H        GLY  29   5.944  -3.712  -6.874
   27   1HA   GLY  29          1HA       GLY  29   5.683  -2.689  -4.474
   28   2HA   GLY  29          2HA       GLY  29   6.519  -1.345  -5.234
   29    H    ALA  30           H        ALA  30   4.273  -3.183  -7.160
   30    HA   ALA  30           HA       ALA  30   2.489  -0.835  -7.029
   31   1HB   ALA  30          1HB       ALA  30   1.762  -1.420  -9.291
   32   2HB   ALA  30          2HB       ALA  30   2.827  -2.826  -9.284
   33   3HB   ALA  30          3HB       ALA  30   3.511  -1.201  -9.229
   34    H    ILE  31           H        ILE  31   0.895  -1.309  -5.626
   35    HA   ILE  31           HA       ILE  31  -0.713  -3.685  -6.180
   36    HB   ILE  31           HB       ILE  31   0.570  -4.296  -4.532
   37   1HG1  ILE  31          1HG1      ILE  31  -2.187  -3.582  -3.637
   38   2HG1  ILE  31          2HG1      ILE  31  -1.621  -5.077  -4.374
   39   1HG2  ILE  31          1HG2      ILE  31   0.650  -3.104  -2.365
   40   2HG2  ILE  31          2HG2      ILE  31  -0.211  -1.761  -3.118
   41   3HG2  ILE  31          3HG2      ILE  31   1.399  -2.204  -3.684
   42   1HD1  ILE  31          1HD1      ILE  31  -0.880  -4.059  -1.645
   43   2HD1  ILE  31          2HD1      ILE  31  -0.277  -5.540  -2.388
   44   3HD1  ILE  31          3HD1      ILE  31  -1.991  -5.380  -2.005
   45    H    GLN  32           H        GLN  32  -2.886  -3.460  -5.845
   46    HA   GLN  32           HA       GLN  32  -3.751  -0.725  -5.188
   47   1HB   GLN  32          1HB       GLN  32  -5.021  -0.652  -7.037
   48   2HB   GLN  32          2HB       GLN  32  -4.057  -2.007  -7.588
   49   1HG   GLN  32          1HG       GLN  32  -6.082  -2.885  -7.971
   50   2HG   GLN  32          2HG       GLN  32  -5.942  -3.350  -6.274
   51   1HE2  GLN  32          1HE2      GLN  32  -7.512  -1.288  -8.573
   52   2HE2  GLN  32          2HE2      GLN  32  -8.698  -0.636  -7.492
   53    H    LEU  33           H        LEU  33  -5.147  -0.467  -3.566
   54    HA   LEU  33           HA       LEU  33  -6.582  -2.839  -2.577
   55   1HB   LEU  33          1HB       LEU  33  -6.072  -2.096  -0.247
   56   2HB   LEU  33          2HB       LEU  33  -4.710  -2.725  -1.149
   57    HG   LEU  33           HG       LEU  33  -4.179  -0.229  -1.634
   58   1HD1  LEU  33          1HD1      LEU  33  -6.250   0.704  -0.752
   59   2HD1  LEU  33          2HD1      LEU  33  -4.852   1.297   0.145
   60   3HD1  LEU  33          3HD1      LEU  33  -5.878   0.042   0.840
   61   1HD2  LEU  33          1HD2      LEU  33  -2.805  -1.742  -0.297
   62   2HD2  LEU  33          2HD2      LEU  33  -3.806  -1.404   1.115
   63   3HD2  LEU  33          3HD2      LEU  33  -2.839  -0.119   0.391
   64    H    ASP  34           H        ASP  34  -8.364  -2.360  -1.165
   65    HA   ASP  34           HA       ASP  34  -9.883  -0.149  -2.228
   66   1HB   ASP  34          1HB       ASP  34 -11.719  -0.966  -0.781
   67   2HB   ASP  34          2HB       ASP  34 -11.076  -2.213  -1.838
   68    H    GLY  35           H        GLY  35 -10.988   1.396  -0.927
   69   1HA   GLY  35          1HA       GLY  35  -9.157   2.694   0.862
   70   2HA   GLY  35          2HA       GLY  35 -10.728   3.297   0.357
   71    H    ASP  36           H        ASP  36 -10.284   0.147   1.765
   72    HA   ASP  36           HA       ASP  36 -11.531   1.117   4.251
   73   1HB   ASP  36          1HB       ASP  36 -12.712  -0.535   2.435
   74   2HB   ASP  36          2HB       ASP  36 -11.951  -1.705   3.514
   75    H    GLY  37           H        GLY  37  -9.253  -1.062   2.705
   76   1HA   GLY  37          1HA       GLY  37  -7.095  -1.003   4.045
   77   2HA   GLY  37          2HA       GLY  37  -8.090  -1.599   5.365
   78    H    ASN  38           H        ASN  38  -8.823  -2.747   2.190
   79    HA   ASN  38           HA       ASN  38  -7.354  -5.248   2.755
   80   1HB   ASN  38          1HB       ASN  38 -10.040  -5.109   1.381
   81   2HB   ASN  38          2HB       ASN  38  -9.180  -6.549   1.915
   82   1HD2  ASN  38          1HD2      ASN  38 -11.204  -3.922   2.821
   83   2HD2  ASN  38          2HD2      ASN  38 -11.549  -4.465   4.430
   84    H    ILE  39           H        ILE  39  -6.796  -6.489   0.882
   85    HA   ILE  39           HA       ILE  39  -5.916  -4.756  -1.251
   86    HB   ILE  39           HB       ILE  39  -5.703  -7.599  -0.854
   87   1HG1  ILE  39          1HG1      ILE  39  -4.646  -6.486   0.944
   88   2HG1  ILE  39          2HG1      ILE  39  -3.402  -7.006  -0.180
   89   1HG2  ILE  39          1HG2      ILE  39  -3.858  -7.400  -2.472
   90   2HG2  ILE  39          2HG2      ILE  39  -4.275  -5.704  -2.726
   91   3HG2  ILE  39          3HG2      ILE  39  -5.410  -6.971  -3.194
   92   1HD1  ILE  39          1HD1      ILE  39  -3.235  -4.733  -1.045
   93   2HD1  ILE  39          2HD1      ILE  39  -2.937  -4.793   0.692
   94   3HD1  ILE  39          3HD1      ILE  39  -4.487  -4.213   0.079
   95    H    LEU  40           H        LEU  40  -6.644  -4.765  -3.346
   96    HA   LEU  40           HA       LEU  40  -8.899  -6.569  -3.944
   97   1HB   LEU  40          1HB       LEU  40  -8.117  -3.962  -5.264
   98   2HB   LEU  40          2HB       LEU  40  -9.446  -4.984  -5.773
   99    HG   LEU  40           HG       LEU  40  -9.227  -3.550  -3.132
  100   1HD1  LEU  40          1HD1      LEU  40 -11.137  -2.255  -3.971
  101   2HD1  LEU  40          2HD1      LEU  40 -11.015  -3.094  -5.517
  102   3HD1  LEU  40          3HD1      LEU  40  -9.703  -2.046  -4.977
  103   1HD2  LEU  40          1HD2      LEU  40 -11.503  -4.345  -2.730
  104   2HD2  LEU  40          2HD2      LEU  40 -10.378  -5.692  -2.905
  105   3HD2  LEU  40          3HD2      LEU  40 -11.452  -5.262  -4.235
  106    H    GLN  41           H        GLN  41  -6.078  -5.036  -5.452
  107    HA   GLN  41           HA       GLN  41  -5.585  -7.552  -6.881
  108   1HB   GLN  41          1HB       GLN  41  -6.624  -6.053  -8.491
  109   2HB   GLN  41          2HB       GLN  41  -5.470  -4.786  -8.099
  110   1HG   GLN  41          1HG       GLN  41  -4.916  -5.871 -10.204
  111   2HG   GLN  41          2HG       GLN  41  -3.657  -6.128  -8.999
  112   1HE2  GLN  41          1HE2      GLN  41  -2.857  -7.944  -9.990
  113   2HE2  GLN  41          2HE2      GLN  41  -3.709  -9.450 -10.015
  114    H    TYR  42           H        TYR  42  -3.686  -8.295  -6.303
  115    HA   TYR  42           HA       TYR  42  -1.564  -6.406  -5.540
  116   1HB   TYR  42          1HB       TYR  42  -2.155  -7.989  -3.770
  117   2HB   TYR  42          2HB       TYR  42  -1.921  -9.341  -4.869
  118    HD1  TYR  42           HD1      TYR  42  -0.161 -10.574  -4.005
  119    HD2  TYR  42           HD2      TYR  42   0.229  -6.341  -4.255
  120    HE1  TYR  42           HE1      TYR  42   2.185 -10.751  -3.290
  121    HE2  TYR  42           HE2      TYR  42   2.579  -6.511  -3.540
  122    HH   TYR  42           HH       TYR  42   4.255  -9.485  -3.424
  123    H    ASN  43           H        ASN  43  -0.041  -6.086  -7.009
  124    HA   ASN  43           HA       ASN  43   0.230  -8.022  -9.190
  125   1HB   ASN  43          1HB       ASN  43   1.161  -5.149  -8.988
  126   2HB   ASN  43          2HB       ASN  43   1.407  -6.191 -10.385
  127   1HD2  ASN  43          1HD2      ASN  43  -0.053  -3.662 -10.101
  128   2HD2  ASN  43          2HD2      ASN  43  -1.651  -3.979 -10.673
  129    H    ALA  44           H        ALA  44   1.622  -9.545  -8.542
  130    HA   ALA  44           HA       ALA  44   4.206  -8.670  -7.439
  131   1HB   ALA  44          1HB       ALA  44   2.937 -10.163  -5.972
  132   2HB   ALA  44          2HB       ALA  44   4.435 -10.915  -6.521
  133   3HB   ALA  44          3HB       ALA  44   2.896 -11.383  -7.247
  134    H    ALA  45           H        ALA  45   6.113  -9.488  -8.282
  135    HA   ALA  45           HA       ALA  45   5.873 -10.488 -11.029
  136   1HB   ALA  45          1HB       ALA  45   7.134  -8.413 -10.767
  137   2HB   ALA  45          2HB       ALA  45   8.174  -9.719 -11.334
  138   3HB   ALA  45          3HB       ALA  45   8.234  -9.216  -9.646
  139    H    GLU  46           H        GLU  46   6.791 -12.361 -11.667
  140    HA   GLU  46           HA       GLU  46   7.685 -14.431 -11.598
  141   1HB   GLU  46          1HB       GLU  46   9.138 -13.381  -9.165
  142   2HB   GLU  46          2HB       GLU  46   9.438 -14.954  -9.895
  143   1HG   GLU  46          1HG       GLU  46  10.114 -13.873 -11.972
  144   2HG   GLU  46          2HG       GLU  46   9.791 -12.292 -11.263
  145    H    GLY  47           H        GLY  47   8.020 -16.347  -9.820
  146   1HA   GLY  47          1HA       GLY  47   5.347 -16.523  -8.613
  147   2HA   GLY  47          2HA       GLY  47   6.333 -17.888  -9.109
  148    H    ASP  48           H        ASP  48   5.875 -18.757  -7.008
  149    HA   ASP  48           HA       ASP  48   6.880 -17.410  -4.690
  150   1HB   ASP  48          1HB       ASP  48   6.334 -19.562  -3.511
  151   2HB   ASP  48          2HB       ASP  48   4.983 -18.807  -4.344
  152    H    ILE  49           H        ILE  49   8.978 -17.037  -5.420
  153    HA   ILE  49           HA       ILE  49  10.763 -19.311  -4.854
  154    HB   ILE  49           HB       ILE  49  12.378 -17.992  -6.028
  155   1HG1  ILE  49          1HG1      ILE  49   9.854 -16.755  -7.128
  156   2HG1  ILE  49          2HG1      ILE  49  11.118 -15.913  -6.236
  157   1HG2  ILE  49          1HG2      ILE  49  11.652 -19.031  -8.126
  158   2HG2  ILE  49          2HG2      ILE  49  10.064 -19.328  -7.416
  159   3HG2  ILE  49          3HG2      ILE  49  11.492 -20.122  -6.749
  160   1HD1  ILE  49          1HD1      ILE  49  11.268 -15.524  -8.638
  161   2HD1  ILE  49          2HD1      ILE  49  11.465 -17.255  -8.906
  162   3HD1  ILE  49          3HD1      ILE  49  12.696 -16.352  -8.024
  163    H    THR  50           H        THR  50  10.231 -15.844  -4.589
  164    HA   THR  50           HA       THR  50  12.296 -15.652  -2.534
  165    HB   THR  50           HB       THR  50  12.328 -14.108  -4.159
  166    HG1  THR  50           HG1      THR  50  11.493 -13.212  -1.589
  167   1HG2  THR  50          1HG2      THR  50  10.134 -13.924  -4.986
  168   2HG2  THR  50          2HG2      THR  50  10.495 -12.375  -4.231
  169   3HG2  THR  50          3HG2      THR  50   9.482 -13.545  -3.389
  170    H    GLY  51           H        GLY  51  10.393 -17.218  -1.657
  171   1HA   GLY  51          1HA       GLY  51   9.401 -17.189   0.556
  172   2HA   GLY  51          2HA       GLY  51   8.829 -15.560   0.213
  173    H    ARG  52           H        ARG  52   7.932 -18.747   0.383
  174    HA   ARG  52           HA       ARG  52   6.072 -18.760  -1.814
  175   1HB   ARG  52          1HB       ARG  52   6.758 -20.683   0.368
  176   2HB   ARG  52          2HB       ARG  52   5.253 -20.889  -0.518
  177   1HG   ARG  52          1HG       ARG  52   6.616 -20.831  -2.630
  178   2HG   ARG  52          2HG       ARG  52   8.049 -20.925  -1.608
  179   1HD   ARG  52          1HD       ARG  52   7.611 -23.089  -0.965
  180   2HD   ARG  52          2HD       ARG  52   5.873 -22.927  -1.227
  181    HE   ARG  52           HE       ARG  52   6.848 -22.693  -3.725
  182   1HH1  ARG  52          1HH1      ARG  52   7.408 -25.068  -1.199
  183   2HH1  ARG  52          2HH1      ARG  52   7.706 -26.368  -2.316
  184   1HH2  ARG  52          1HH2      ARG  52   7.207 -24.412  -5.188
  185   2HH2  ARG  52          2HH2      ARG  52   7.570 -26.000  -4.582
  186    H    ASP  53           H        ASP  53   4.439 -17.391  -1.703
  187    HA   ASP  53           HA       ASP  53   2.735 -17.482   0.700
  188   1HB   ASP  53          1HB       ASP  53   3.748 -15.227  -0.039
  189   2HB   ASP  53          2HB       ASP  53   2.650 -15.325  -1.412
  190    HA   PRO  54           HA       PRO  54  -0.015 -19.646  -2.070
  191   1HB   PRO  54          1HB       PRO  54  -2.130 -19.861  -0.399
  192   2HB   PRO  54          2HB       PRO  54  -0.670 -20.839  -0.212
  193   1HG   PRO  54          1HG       PRO  54  -1.485 -18.354   1.247
  194   2HG   PRO  54          2HG       PRO  54  -0.767 -19.843   1.889
  195   1HD   PRO  54          1HD       PRO  54   0.675 -17.591   1.408
  196   2HD   PRO  54          2HD       PRO  54   1.362 -19.223   1.282
  197    H    LYS  55           H        LYS  55  -0.311 -16.462  -1.044
  198    HA   LYS  55           HA       LYS  55  -2.759 -16.097  -2.648
  199   1HB   LYS  55          1HB       LYS  55  -1.889 -14.280  -0.403
  200   2HB   LYS  55          2HB       LYS  55  -3.441 -14.311  -1.231
  201   1HG   LYS  55          1HG       LYS  55  -3.953 -16.469  -0.247
  202   2HG   LYS  55          2HG       LYS  55  -2.376 -16.499   0.544
  203   1HD   LYS  55          1HD       LYS  55  -4.630 -14.563   1.046
  204   2HD   LYS  55          2HD       LYS  55  -4.035 -15.811   2.140
  205   1HE   LYS  55          1HE       LYS  55  -2.554 -13.349   1.225
  206   2HE   LYS  55          2HE       LYS  55  -3.205 -13.653   2.832
  207   1HZ   LYS  55          1HZ       LYS  55  -1.658 -15.592   2.951
  208   2HZ   LYS  55          2HZ       LYS  55  -0.899 -14.080   2.907
  209   3HZ   LYS  55          3HZ       LYS  55  -0.934 -15.044   1.515
  210    H    GLN  56           H        GLN  56  -1.641 -15.703  -4.559
  211    HA   GLN  56           HA       GLN  56   0.396 -13.673  -4.697
  212   1HB   GLN  56          1HB       GLN  56  -1.116 -15.078  -6.911
  213   2HB   GLN  56          2HB       GLN  56   0.303 -14.063  -7.131
  214   1HG   GLN  56          1HG       GLN  56   1.620 -15.631  -5.784
  215   2HG   GLN  56          2HG       GLN  56   0.200 -16.662  -5.611
  216   1HE2  GLN  56          1HE2      GLN  56   2.680 -15.533  -7.742
  217   2HE2  GLN  56          2HE2      GLN  56   2.407 -16.679  -9.006
  218    H    VAL  57           H        VAL  57  -3.015 -13.806  -4.882
  219    HA   VAL  57           HA       VAL  57  -3.077 -10.930  -5.501
  220    HB   VAL  57           HB       VAL  57  -5.218 -12.799  -5.879
  221   1HG1  VAL  57          1HG1      VAL  57  -5.948 -10.528  -5.667
  222   2HG1  VAL  57          2HG1      VAL  57  -6.008 -10.974  -7.370
  223   3HG1  VAL  57          3HG1      VAL  57  -4.687  -9.975  -6.768
  224   1HG2  VAL  57          1HG2      VAL  57  -3.409 -13.512  -7.305
  225   2HG2  VAL  57          2HG2      VAL  57  -3.190 -11.858  -7.880
  226   3HG2  VAL  57          3HG2      VAL  57  -4.676 -12.732  -8.254
  227    H    ILE  58           H        ILE  58  -4.678  -9.726  -4.275
  228    HA   ILE  58           HA       ILE  58  -5.314  -9.043  -2.222
  229    HB   ILE  58           HB       ILE  58  -7.194  -9.629  -3.201
  230   1HG1  ILE  58          1HG1      ILE  58  -7.140 -10.469  -0.313
  231   2HG1  ILE  58          2HG1      ILE  58  -7.253  -8.819  -0.914
  232   1HG2  ILE  58          1HG2      ILE  58  -8.305 -11.775  -2.865
  233   2HG2  ILE  58          2HG2      ILE  58  -6.871 -12.394  -2.048
  234   3HG2  ILE  58          3HG2      ILE  58  -6.797 -11.967  -3.758
  235   1HD1  ILE  58          1HD1      ILE  58  -9.289 -10.992  -1.336
  236   2HD1  ILE  58          2HD1      ILE  58  -9.405  -9.335  -1.929
  237   3HD1  ILE  58          3HD1      ILE  58  -9.415  -9.655  -0.193
  238    H    GLY  59           H        GLY  59  -3.298  -9.578  -1.303
  239   1HA   GLY  59          1HA       GLY  59  -2.913 -11.883   0.304
  240   2HA   GLY  59          2HA       GLY  59  -2.014 -10.376   0.427
  241    H    LYS  60           H        LYS  60  -4.496  -8.819   0.844
  242    HA   LYS  60           HA       LYS  60  -4.802  -9.454   3.680
  243   1HB   LYS  60          1HB       LYS  60  -4.035  -7.206   3.205
  244   2HB   LYS  60          2HB       LYS  60  -5.372  -6.953   2.092
  245   1HG   LYS  60          1HG       LYS  60  -5.798  -5.804   4.168
  246   2HG   LYS  60          2HG       LYS  60  -6.944  -7.134   3.984
  247   1HD   LYS  60          1HD       LYS  60  -5.549  -8.520   5.454
  248   2HD   LYS  60          2HD       LYS  60  -4.440  -7.163   5.671
  249   1HE   LYS  60          1HE       LYS  60  -7.339  -7.287   6.481
  250   2HE   LYS  60          2HE       LYS  60  -5.944  -7.301   7.554
  251   1HZ   LYS  60          1HZ       LYS  60  -6.965  -5.129   7.482
  252   2HZ   LYS  60          2HZ       LYS  60  -6.761  -5.044   5.797
  253   3HZ   LYS  60          3HZ       LYS  60  -5.409  -5.058   6.814
  254    H    ASN  61           H        ASN  61  -6.293 -11.101   3.517
  255    HA   ASN  61           HA       ASN  61  -8.912 -10.424   2.391
  256   1HB   ASN  61          1HB       ASN  61  -7.889 -12.662   1.857
  257   2HB   ASN  61          2HB       ASN  61  -8.025 -13.076   3.562
  258   1HD2  ASN  61          1HD2      ASN  61  -9.224 -14.363   1.265
  259   2HD2  ASN  61          2HD2      ASN  61 -10.938 -14.321   1.523
  260    H    PHE  62           H        PHE  62  -9.939  -9.151   3.789
  261    HA   PHE  62           HA       PHE  62 -10.764 -10.266   6.324
  262   1HB   PHE  62          1HB       PHE  62  -8.502  -8.875   6.513
  263   2HB   PHE  62          2HB       PHE  62  -9.602  -7.505   6.452
  264    HD1  PHE  62           HD1      PHE  62 -10.933  -6.912   8.334
  265    HD2  PHE  62           HD2      PHE  62  -8.642 -10.498   8.360
  266    HE1  PHE  62           HE1      PHE  62 -11.316  -7.138  10.754
  267    HE2  PHE  62           HE2      PHE  62  -9.018 -10.727  10.777
  268    HZ   PHE  62           HZ       PHE  62 -10.360  -9.047  11.977
  269    H    PHE  63           H        PHE  63 -12.360  -8.573   7.360
  270    HA   PHE  63           HA       PHE  63 -13.964  -7.445   5.221
  271   1HB   PHE  63          1HB       PHE  63 -15.026  -8.631   7.139
  272   2HB   PHE  63          2HB       PHE  63 -14.450  -7.355   8.207
  273    HD1  PHE  63           HD1      PHE  63 -15.935  -5.682   8.738
  274    HD2  PHE  63           HD2      PHE  63 -16.358  -7.714   5.025
  275    HE1  PHE  63           HE1      PHE  63 -17.963  -4.372   8.258
  276    HE2  PHE  63           HE2      PHE  63 -18.384  -6.409   4.534
  277    HZ   PHE  63           HZ       PHE  63 -19.190  -4.735   6.151
  278    H    LYS  64           H        LYS  64 -12.870  -6.139   8.332
  279    HA   LYS  64           HA       LYS  64 -11.296  -4.096   7.200
  280   1HB   LYS  64          1HB       LYS  64 -12.608  -2.136   7.927
  281   2HB   LYS  64          2HB       LYS  64 -13.423  -3.037   6.660
  282   1HG   LYS  64          1HG       LYS  64 -14.817  -4.117   8.418
  283   2HG   LYS  64          2HG       LYS  64 -14.070  -3.034   9.596
  284   1HD   LYS  64          1HD       LYS  64 -16.221  -2.151   8.852
  285   2HD   LYS  64          2HD       LYS  64 -14.901  -1.099   8.340
  286   1HE   LYS  64          1HE       LYS  64 -14.975  -2.035   6.109
  287   2HE   LYS  64          2HE       LYS  64 -16.219  -3.181   6.605
  288   1HZ   LYS  64          1HZ       LYS  64 -17.173  -1.321   5.429
  289   2HZ   LYS  64          2HZ       LYS  64 -16.500  -0.226   6.532
  290   3HZ   LYS  64          3HZ       LYS  64 -17.696  -1.311   7.040
  291    H    ASP  65           H        ASP  65 -10.008  -3.127   8.781
  292    HA   ASP  65           HA       ASP  65 -10.505  -3.742  11.573
  293   1HB   ASP  65          1HB       ASP  65  -8.518  -5.071  11.900
  294   2HB   ASP  65          2HB       ASP  65  -9.463  -5.822  10.616
  295    H    VAL  66           H        VAL  66  -8.564  -3.050  12.902
  296    HA   VAL  66           HA       VAL  66  -7.035  -0.893  11.635
  297    HB   VAL  66           HB       VAL  66  -7.090   0.196  13.728
  298   1HG1  VAL  66          1HG1      VAL  66  -9.615  -0.111  12.112
  299   2HG1  VAL  66          2HG1      VAL  66  -8.280   0.993  11.777
  300   3HG1  VAL  66          3HG1      VAL  66  -9.273   1.219  13.218
  301   1HG2  VAL  66          1HG2      VAL  66  -8.988  -0.230  15.174
  302   2HG2  VAL  66          2HG2      VAL  66  -7.925  -1.637  15.103
  303   3HG2  VAL  66          3HG2      VAL  66  -9.437  -1.626  14.195
  304    H    ALA  67           H        ALA  67  -6.173  -3.545  12.028
  305    HA   ALA  67           HA       ALA  67  -3.920  -3.107  13.789
  306   1HB   ALA  67          1HB       ALA  67  -5.845  -5.344  14.402
  307   2HB   ALA  67          2HB       ALA  67  -5.627  -3.881  15.363
  308   3HB   ALA  67          3HB       ALA  67  -4.306  -5.040  15.207
  309    HA   PRO  68           HA       PRO  68  -2.587  -5.821  10.340
  310   1HB   PRO  68          1HB       PRO  68  -0.052  -4.425  10.852
  311   2HB   PRO  68          2HB       PRO  68  -0.945  -4.598   9.338
  312   1HG   PRO  68          1HG       PRO  68  -0.784  -2.245  10.638
  313   2HG   PRO  68          2HG       PRO  68  -2.231  -2.724   9.729
  314   1HD   PRO  68          1HD       PRO  68  -1.736  -2.797  12.685
  315   2HD   PRO  68          2HD       PRO  68  -3.198  -2.307  11.800
  316    H    CYS  69           H        CYS  69  -2.505  -7.734  11.420
  317    HA   CYS  69           HA       CYS  69  -1.092  -8.055  13.874
  318   1HB   CYS  69          1HB       CYS  69  -2.680  -9.879  12.113
  319   2HB   CYS  69          2HB       CYS  69  -1.687 -10.556  13.402
  320    H    THR  70           H        THR  70  -0.673  -9.917  10.848
  321    HA   THR  70           HA       THR  70   1.990 -10.634  11.726
  322    HB   THR  70           HB       THR  70   1.953 -11.710   9.559
  323    HG1  THR  70           HG1      THR  70   0.213 -11.236   8.442
  324   1HG2  THR  70          1HG2      THR  70   1.787 -12.798  11.736
  325   2HG2  THR  70          2HG2      THR  70   0.717 -13.550  10.554
  326   3HG2  THR  70          3HG2      THR  70   0.057 -12.461  11.775
  327    H    ASP  71           H        ASP  71   0.481  -8.831   9.095
  328    HA   ASP  71           HA       ASP  71   2.701  -8.438   7.473
  329   1HB   ASP  71          1HB       ASP  71   0.390  -6.528   7.871
  330   2HB   ASP  71          2HB       ASP  71   1.455  -6.604   6.470
  331    H    SER  72           H        SER  72   4.558  -7.574   7.982
  332    HA   SER  72           HA       SER  72   4.735  -5.560  10.067
  333   1HB   SER  72          1HB       SER  72   6.906  -7.032   8.565
  334   2HB   SER  72          2HB       SER  72   7.169  -5.935   9.923
  335    HG   SER  72           HG       SER  72   5.313  -7.931  10.372
  336    HA   PRO  73           HA       PRO  73   6.691  -3.199   6.197
  337   1HB   PRO  73          1HB       PRO  73   4.987  -4.435   4.101
  338   2HB   PRO  73          2HB       PRO  73   6.669  -3.905   4.016
  339   1HG   PRO  73          1HG       PRO  73   6.071  -6.491   4.128
  340   2HG   PRO  73          2HG       PRO  73   7.467  -5.843   5.010
  341   1HD   PRO  73          1HD       PRO  73   4.765  -6.614   6.035
  342   2HD   PRO  73          2HD       PRO  73   6.365  -6.865   6.766
  343    H    GLU  74           H        GLU  74   5.708  -1.374   6.800
  344    HA   GLU  74           HA       GLU  74   2.807  -1.090   6.396
  345   1HB   GLU  74          1HB       GLU  74   4.685   0.539   8.121
  346   2HB   GLU  74          2HB       GLU  74   2.933   0.705   8.054
  347   1HG   GLU  74          1HG       GLU  74   2.568  -1.252   9.210
  348   2HG   GLU  74          2HG       GLU  74   4.139  -1.925   8.779
  349    H    PHE  75           H        PHE  75   2.521  -0.305   4.380
  350    HA   PHE  75           HA       PHE  75   4.218   1.944   3.528
  351   1HB   PHE  75          1HB       PHE  75   2.721  -0.122   1.925
  352   2HB   PHE  75          2HB       PHE  75   3.406   1.331   1.205
  353    HD1  PHE  75           HD1      PHE  75   4.062  -1.995   2.402
  354    HD2  PHE  75           HD2      PHE  75   5.879   1.700   1.328
  355    HE1  PHE  75           HE1      PHE  75   6.235  -3.130   2.172
  356    HE2  PHE  75           HE2      PHE  75   8.052   0.571   1.093
  357    HZ   PHE  75           HZ       PHE  75   8.230  -1.850   1.515
  358    H    TYR  76           H        TYR  76   1.651   1.884   5.152
  359    HA   TYR  76           HA       TYR  76  -0.208   3.334   3.479
  360   1HB   TYR  76          1HB       TYR  76  -0.223   2.811   6.464
  361   2HB   TYR  76          2HB       TYR  76  -1.540   3.550   5.559
  362    HD1  TYR  76           HD1      TYR  76   0.183   0.429   6.354
  363    HD2  TYR  76           HD2      TYR  76  -2.917   2.205   4.049
  364    HE1  TYR  76           HE1      TYR  76  -0.760  -1.801   5.918
  365    HE2  TYR  76           HE2      TYR  76  -3.872  -0.018   3.604
  366    HH   TYR  76           HH       TYR  76  -2.890  -2.806   5.293
  367    H    GLY  77           H        GLY  77  -0.085   5.475   3.115
  368   1HA   GLY  77          1HA       GLY  77   1.789   7.002   4.803
  369   2HA   GLY  77          2HA       GLY  77   1.382   7.385   3.134
  370    H    LYS  78           H        LYS  78   0.354   7.549   6.462
  371    HA   LYS  78           HA       LYS  78  -1.264   8.736   7.543
  372   1HB   LYS  78          1HB       LYS  78  -1.119  10.489   5.076
  373   2HB   LYS  78          2HB       LYS  78  -1.884  10.934   6.595
  374   1HG   LYS  78          1HG       LYS  78   1.050  10.384   6.174
  375   2HG   LYS  78          2HG       LYS  78   0.301  11.967   6.389
  376   1HD   LYS  78          1HD       LYS  78  -0.514  11.151   8.630
  377   2HD   LYS  78          2HD       LYS  78   0.506   9.731   8.398
  378   1HE   LYS  78          1HE       LYS  78   1.440  12.599   8.471
  379   2HE   LYS  78          2HE       LYS  78   1.628  11.416   9.764
  380   1HZ   LYS  78          1HZ       LYS  78   3.662  11.615   8.520
  381   2HZ   LYS  78          2HZ       LYS  78   2.866  11.275   7.067
  382   3HZ   LYS  78          3HZ       LYS  78   3.000  10.077   8.256
  383    H    PHE  79           H        PHE  79  -2.136   6.514   6.268
  384    HA   PHE  79           HA       PHE  79  -3.985   6.762   4.199
  385   1HB   PHE  79          1HB       PHE  79  -2.904   4.644   4.996
  386   2HB   PHE  79          2HB       PHE  79  -4.000   4.656   6.372
  387    HD1  PHE  79           HD1      PHE  79  -6.239   3.905   6.163
  388    HD2  PHE  79           HD2      PHE  79  -3.797   4.348   2.707
  389    HE1  PHE  79           HE1      PHE  79  -7.907   2.684   4.829
  390    HE2  PHE  79           HE2      PHE  79  -5.464   3.134   1.367
  391    HZ   PHE  79           HZ       PHE  79  -7.521   2.303   2.426
  392    H    LYS  80           H        LYS  80  -4.339   7.386   7.586
  393    HA   LYS  80           HA       LYS  80  -7.159   6.953   7.764
  394   1HB   LYS  80          1HB       LYS  80  -5.328   8.566   9.551
  395   2HB   LYS  80          2HB       LYS  80  -6.979   8.103   9.941
  396   1HG   LYS  80          1HG       LYS  80  -6.358   5.759   9.931
  397   2HG   LYS  80          2HG       LYS  80  -4.712   6.181   9.450
  398   1HD   LYS  80          1HD       LYS  80  -4.467   7.470  11.541
  399   2HD   LYS  80          2HD       LYS  80  -6.080   6.947  12.028
  400   1HE   LYS  80          1HE       LYS  80  -3.772   5.102  11.431
  401   2HE   LYS  80          2HE       LYS  80  -4.262   5.610  13.045
  402   1HZ   LYS  80          1HZ       LYS  80  -5.122   3.408  12.360
  403   2HZ   LYS  80          2HZ       LYS  80  -6.052   4.169  11.160
  404   3HZ   LYS  80          3HZ       LYS  80  -6.337   4.507  12.795
  405    H    GLU  81           H        GLU  81  -5.091   9.676   7.053
  406    HA   GLU  81           HA       GLU  81  -7.344  11.502   6.910
  407   1HB   GLU  81          1HB       GLU  81  -5.195  12.325   7.757
  408   2HB   GLU  81          2HB       GLU  81  -4.418  11.895   6.242
  409   1HG   GLU  81          1HG       GLU  81  -4.886  14.297   6.447
  410   2HG   GLU  81          2HG       GLU  81  -5.682  13.558   5.059
  411    H    GLY  82           H        GLY  82  -5.387   9.530   4.837
  412   1HA   GLY  82          1HA       GLY  82  -5.816  10.723   2.392
  413   2HA   GLY  82          2HA       GLY  82  -5.516   9.018   2.642
  414    H    VAL  83           H        VAL  83  -7.720   8.428   4.202
  415    HA   VAL  83           HA       VAL  83  -9.728   7.969   2.244
  416    HB   VAL  83           HB       VAL  83  -9.801   7.921   5.115
  417   1HG1  VAL  83          1HG1      VAL  83 -12.040   7.998   4.136
  418   2HG1  VAL  83          2HG1      VAL  83 -11.690   6.387   4.759
  419   3HG1  VAL  83          3HG1      VAL  83 -11.609   6.698   3.026
  420   1HG2  VAL  83          1HG2      VAL  83  -8.060   6.509   4.246
  421   2HG2  VAL  83          2HG2      VAL  83  -9.164   5.835   3.044
  422   3HG2  VAL  83          3HG2      VAL  83  -9.424   5.513   4.760
  423    H    ALA  84           H        ALA  84  -9.477  10.209   4.976
  424    HA   ALA  84           HA       ALA  84 -12.163  11.160   4.636
  425   1HB   ALA  84          1HB       ALA  84  -9.974  12.217   6.420
  426   2HB   ALA  84          2HB       ALA  84 -11.149  10.978   6.862
  427   3HB   ALA  84          3HB       ALA  84 -11.688  12.620   6.515
  428    H    SER  85           H        SER  85  -8.971  12.174   3.695
  429    HA   SER  85           HA       SER  85  -9.597  14.768   2.804
  430   1HB   SER  85          1HB       SER  85  -7.629  12.764   1.671
  431   2HB   SER  85          2HB       SER  85  -7.719  14.450   1.161
  432    HG   SER  85           HG       SER  85  -7.513  13.928   3.903
  433    H    GLY  86           H        GLY  86 -10.254  11.617   1.438
  434   1HA   GLY  86          1HA       GLY  86 -12.386  11.379   0.351
  435   2HA   GLY  86          2HA       GLY  86 -12.178  12.986  -0.323
  436    H    ASN  87           H        ASN  87  -9.253  11.813  -0.697
  437    HA   ASN  87           HA       ASN  87  -9.490   9.964  -2.792
  438   1HB   ASN  87          1HB       ASN  87  -8.921  11.403  -4.730
  439   2HB   ASN  87          2HB       ASN  87 -10.509  11.759  -4.072
  440   1HD2  ASN  87          1HD2      ASN  87 -10.828  13.726  -2.974
  441   2HD2  ASN  87          2HD2      ASN  87  -9.739  15.055  -3.170
  442    H    LEU  88           H        LEU  88  -7.966   9.612  -0.886
  443    HA   LEU  88           HA       LEU  88  -5.497  10.501  -0.427
  444   1HB   LEU  88          1HB       LEU  88  -6.739   8.286   0.216
  445   2HB   LEU  88          2HB       LEU  88  -5.770   7.601  -1.074
  446    HG   LEU  88           HG       LEU  88  -4.693   9.094   1.257
  447   1HD1  LEU  88          1HD1      LEU  88  -5.753   7.055   2.022
  448   2HD1  LEU  88          2HD1      LEU  88  -4.001   6.893   2.132
  449   3HD1  LEU  88          3HD1      LEU  88  -4.876   6.122   0.810
  450   1HD2  LEU  88          1HD2      LEU  88  -3.204   9.143  -0.655
  451   2HD2  LEU  88          2HD2      LEU  88  -3.306   7.389  -0.793
  452   3HD2  LEU  88          3HD2      LEU  88  -2.536   8.118   0.615
  453    H    ASN  89           H        ASN  89  -4.284  11.476  -2.022
  454    HA   ASN  89           HA       ASN  89  -3.006   9.617  -3.842
  455   1HB   ASN  89          1HB       ASN  89  -3.461  10.781  -5.837
  456   2HB   ASN  89          2HB       ASN  89  -5.006  10.737  -4.998
  457   1HD2  ASN  89          1HD2      ASN  89  -5.747  12.651  -3.950
  458   2HD2  ASN  89          2HD2      ASN  89  -5.216  14.207  -4.497
  459    H    THR  90           H        THR  90  -0.990   9.754  -2.985
  460    HA   THR  90           HA       THR  90   0.245  12.414  -2.975
  461    HB   THR  90           HB       THR  90   1.454  11.573  -1.045
  462    HG1  THR  90           HG1      THR  90   0.665   9.585  -0.661
  463   1HG2  THR  90          1HG2      THR  90  -1.386  12.554  -0.922
  464   2HG2  THR  90          2HG2      THR  90   0.064  13.548  -1.058
  465   3HG2  THR  90          3HG2      THR  90  -0.226  12.606   0.404
  466    H    MET  91           H        MET  91   2.486  12.446  -3.195
  467    HA   MET  91           HA       MET  91   3.843   9.869  -3.429
  468   1HB   MET  91          1HB       MET  91   5.067  10.507  -5.421
  469   2HB   MET  91          2HB       MET  91   3.345  10.525  -5.744
  470   1HG   MET  91          1HG       MET  91   4.893  13.010  -5.078
  471   2HG   MET  91          2HG       MET  91   4.734  12.399  -6.722
  472   1HE   MET  91          1HE       MET  91   3.886  15.340  -5.800
  473   2HE   MET  91          2HE       MET  91   2.360  15.519  -6.671
  474   3HE   MET  91          3HE       MET  91   3.743  14.753  -7.456
  475    H    PHE  92           H        PHE  92   5.898   9.857  -2.688
  476    HA   PHE  92           HA       PHE  92   7.334  12.240  -2.000
  477   1HB   PHE  92          1HB       PHE  92   5.607  12.246  -0.233
  478   2HB   PHE  92          2HB       PHE  92   6.055  10.607   0.216
  479    HD1  PHE  92           HD1      PHE  92   7.243  14.108   0.127
  480    HD2  PHE  92           HD2      PHE  92   7.831  10.199   1.705
  481    HE1  PHE  92           HE1      PHE  92   8.865  15.007   1.741
  482    HE2  PHE  92           HE2      PHE  92   9.461  11.094   3.318
  483    HZ   PHE  92           HZ       PHE  92   9.977  13.498   3.340
  484    H    GLU  93           H        GLU  93   9.486  11.743  -1.648
  485    HA   GLU  93           HA       GLU  93  10.169   8.921  -1.904
  486   1HB   GLU  93          1HB       GLU  93  11.899  11.406  -1.957
  487   2HB   GLU  93          2HB       GLU  93  12.491   9.769  -2.203
  488   1HG   GLU  93          1HG       GLU  93  11.209   9.541  -4.213
  489   2HG   GLU  93          2HG       GLU  93  10.422  11.095  -3.935
  490    H    TYR  94           H        TYR  94  10.403   7.766  -0.123
  491    HA   TYR  94           HA       TYR  94  11.093   9.172   2.368
  492   1HB   TYR  94          1HB       TYR  94   8.711   8.468   2.222
  493   2HB   TYR  94          2HB       TYR  94   9.240   6.801   2.034
  494    HD1  TYR  94           HD1      TYR  94   9.809   5.481   3.920
  495    HD2  TYR  94           HD2      TYR  94   9.164   9.659   4.381
  496    HE1  TYR  94           HE1      TYR  94   9.798   5.200   6.363
  497    HE2  TYR  94           HE2      TYR  94   9.152   9.393   6.826
  498    HH   TYR  94           HH       TYR  94  10.235   6.628   8.386
  499    H    THR  95           H        THR  95  13.089   8.606   2.949
  500    HA   THR  95           HA       THR  95  14.075   5.929   2.440
  501    HB   THR  95           HB       THR  95  15.847   6.716   3.880
  502    HG1  THR  95           HG1      THR  95  14.334   8.614   4.454
  503   1HG2  THR  95          1HG2      THR  95  16.825   7.878   1.974
  504   2HG2  THR  95          2HG2      THR  95  15.233   7.995   1.225
  505   3HG2  THR  95          3HG2      THR  95  15.979   6.414   1.468
  506    H    PHE  96           H        PHE  96  14.659   4.440   4.031
  507    HA   PHE  96           HA       PHE  96  12.849   4.349   6.235
  508   1HB   PHE  96          1HB       PHE  96  15.107   2.558   5.351
  509   2HB   PHE  96          2HB       PHE  96  14.192   2.253   6.823
  510    HD1  PHE  96           HD1      PHE  96  12.006   1.350   6.757
  511    HD2  PHE  96           HD2      PHE  96  13.968   2.472   3.152
  512    HE1  PHE  96           HE1      PHE  96  10.265   0.201   5.454
  513    HE2  PHE  96           HE2      PHE  96  12.234   1.319   1.844
  514    HZ   PHE  96           HZ       PHE  96  10.375   0.184   2.995
  515    H    ASP  97           H        ASP  97  13.366   4.278   8.465
  516    HA   ASP  97           HA       ASP  97  15.094   6.424   9.181
  517   1HB   ASP  97          1HB       ASP  97  12.920   5.827  10.317
  518   2HB   ASP  97          2HB       ASP  97  13.751   4.454  11.041
  519    H    TYR  98           H        TYR  98  15.077   3.324  10.865
  520    HA   TYR  98           HA       TYR  98  17.828   2.794  10.122
  521   1HB   TYR  98          1HB       TYR  98  16.984   3.341  12.962
  522   2HB   TYR  98          2HB       TYR  98  18.367   2.316  12.595
  523    HD1  TYR  98           HD1      TYR  98  20.273   3.328  11.236
  524    HD2  TYR  98           HD2      TYR  98  17.199   5.670  13.009
  525    HE1  TYR  98           HE1      TYR  98  21.714   5.318  11.093
  526    HE2  TYR  98           HE2      TYR  98  18.625   7.664  12.863
  527    HH   TYR  98           HH       TYR  98  21.106   8.132  12.791
  528    H    GLN  99           H        GLN  99  16.840   1.062   9.035
  529    HA   GLN  99           HA       GLN  99  15.687  -1.031  10.749
  530   1HB   GLN  99          1HB       GLN  99  15.779  -1.301   7.778
  531   2HB   GLN  99          2HB       GLN  99  14.546  -1.835   8.912
  532   1HG   GLN  99          1HG       GLN  99  15.019   1.011   8.051
  533   2HG   GLN  99          2HG       GLN  99  13.756  -0.048   7.434
  534   1HE2  GLN  99          1HE2      GLN  99  13.121  -1.217  10.007
  535   2HE2  GLN  99          2HE2      GLN  99  12.297   0.007  10.915
  536    H    MET 100           H        MET 100  18.049  -0.446   8.216
  537    HA   MET 100           HA       MET 100  20.174  -1.757   9.408
  538   1HB   MET 100          1HB       MET 100  18.898  -3.838   8.944
  539   2HB   MET 100          2HB       MET 100  18.879  -3.425   7.235
  540   1HG   MET 100          1HG       MET 100  20.584  -5.104   7.824
  541   2HG   MET 100          2HG       MET 100  21.252  -3.653   7.083
  542   1HE   MET 100          1HE       MET 100  20.537  -5.441  10.518
  543   2HE   MET 100          2HE       MET 100  19.973  -3.791  10.781
  544   3HE   MET 100          3HE       MET 100  21.396  -4.386  11.638
  545    H    THR 101           H        THR 101  18.689  -1.461   6.212
  546    HA   THR 101           HA       THR 101  21.057   0.042   5.315
  547    HB   THR 101           HB       THR 101  18.938  -1.157   3.773
  548    HG1  THR 101           HG1      THR 101  20.722  -2.733   3.421
  549   1HG2  THR 101          1HG2      THR 101  20.570  -0.953   1.964
  550   2HG2  THR 101          2HG2      THR 101  21.681  -0.126   3.058
  551   3HG2  THR 101          3HG2      THR 101  20.143   0.623   2.629
  552    HA   PRO 102           HA       PRO 102  18.299   3.611   5.120
  553   1HB   PRO 102          1HB       PRO 102  20.288   4.816   3.334
  554   2HB   PRO 102          2HB       PRO 102  19.788   5.323   4.950
  555   1HG   PRO 102          1HG       PRO 102  22.221   4.265   4.463
  556   2HG   PRO 102          2HG       PRO 102  21.364   4.008   5.995
  557   1HD   PRO 102          1HD       PRO 102  21.622   2.174   3.637
  558   2HD   PRO 102          2HD       PRO 102  21.729   1.802   5.371
  559    H    THR 103           H        THR 103  17.290   1.731   3.600
  560    HA   THR 103           HA       THR 103  17.499   1.890   0.832
  561    HB   THR 103           HB       THR 103  15.073   1.399   2.266
  562    HG1  THR 103           HG1      THR 103  16.712  -0.734   1.835
  563   1HG2  THR 103          1HG2      THR 103  14.770  -0.227   0.482
  564   2HG2  THR 103          2HG2      THR 103  16.316   0.243  -0.228
  565   3HG2  THR 103          3HG2      THR 103  14.978   1.392  -0.182
  566    H    LYS 104           H        LYS 104  16.685   3.210  -0.686
  567    HA   LYS 104           HA       LYS 104  14.986   5.418   0.226
  568   1HB   LYS 104          1HB       LYS 104  17.190   6.043  -0.702
  569   2HB   LYS 104          2HB       LYS 104  16.762   5.250  -2.210
  570   1HG   LYS 104          1HG       LYS 104  14.858   6.816  -2.446
  571   2HG   LYS 104          2HG       LYS 104  15.426   7.660  -1.004
  572   1HD   LYS 104          1HD       LYS 104  17.527   8.186  -2.102
  573   2HD   LYS 104          2HD       LYS 104  17.037   7.268  -3.528
  574   1HE   LYS 104          1HE       LYS 104  16.730   9.647  -3.902
  575   2HE   LYS 104          2HE       LYS 104  15.172   8.822  -3.873
  576   1HZ   LYS 104          1HZ       LYS 104  15.250  10.954  -2.622
  577   2HZ   LYS 104          2HZ       LYS 104  16.322  10.228  -1.524
  578   3HZ   LYS 104          3HZ       LYS 104  14.752   9.628  -1.699
  579    H    VAL 105           H        VAL 105  12.935   4.781  -0.105
  580    HA   VAL 105           HA       VAL 105  12.243   3.900  -2.806
  581    HB   VAL 105           HB       VAL 105  10.267   3.152  -1.963
  582   1HG1  VAL 105          1HG1      VAL 105  11.226   1.198  -0.819
  583   2HG1  VAL 105          2HG1      VAL 105  12.756   2.058  -0.660
  584   3HG1  VAL 105          3HG1      VAL 105  12.138   1.643  -2.259
  585   1HG2  VAL 105          1HG2      VAL 105   9.959   2.873   0.429
  586   2HG2  VAL 105          2HG2      VAL 105  10.046   4.578  -0.013
  587   3HG2  VAL 105          3HG2      VAL 105  11.435   3.788   0.733
  588    H    LYS 106           H        LYS 106  10.170   4.685  -3.588
  589    HA   LYS 106           HA       LYS 106   9.401   7.205  -2.296
  590   1HB   LYS 106          1HB       LYS 106   9.015   8.289  -4.382
  591   2HB   LYS 106          2HB       LYS 106  10.635   7.619  -4.439
  592   1HG   LYS 106          1HG       LYS 106   9.910   5.833  -5.865
  593   2HG   LYS 106          2HG       LYS 106   8.222   6.327  -5.690
  594   1HD   LYS 106          1HD       LYS 106   8.849   8.530  -6.685
  595   2HD   LYS 106          2HD       LYS 106  10.450   7.865  -7.013
  596   1HE   LYS 106          1HE       LYS 106   9.456   6.137  -8.412
  597   2HE   LYS 106          2HE       LYS 106   7.846   6.765  -8.057
  598   1HZ   LYS 106          1HZ       LYS 106   8.637   7.553 -10.198
  599   2HZ   LYS 106          2HZ       LYS 106  10.005   8.245  -9.465
  600   3HZ   LYS 106          3HZ       LYS 106   8.462   8.850  -9.119
  601    H    VAL 107           H        VAL 107   7.249   7.601  -2.116
  602    HA   VAL 107           HA       VAL 107   5.587   5.265  -2.741
  603    HB   VAL 107           HB       VAL 107   3.968   6.304  -1.380
  604   1HG1  VAL 107          1HG1      VAL 107   5.120   5.515   0.657
  605   2HG1  VAL 107          2HG1      VAL 107   6.648   5.497  -0.224
  606   3HG1  VAL 107          3HG1      VAL 107   5.345   4.406  -0.696
  607   1HG2  VAL 107          1HG2      VAL 107   4.704   7.917   0.248
  608   2HG2  VAL 107          2HG2      VAL 107   4.877   8.578  -1.380
  609   3HG2  VAL 107          3HG2      VAL 107   6.297   7.999  -0.505
  610    H    HIS 108           H        HIS 108   3.861   5.370  -3.988
  611    HA   HIS 108           HA       HIS 108   2.601   7.970  -4.351
  612   1HB   HIS 108          1HB       HIS 108   4.063   7.394  -6.378
  613   2HB   HIS 108          2HB       HIS 108   2.936   6.077  -6.683
  614    HD1  HIS 108           HD1      HIS 108   2.606   7.496  -8.985
  615    HD2  HIS 108           HD2      HIS 108   1.089   9.188  -5.507
  616    HE1  HIS 108           HE1      HIS 108   0.973   9.252  -9.743
  617    HE2  HIS 108           HE2      HIS 108   0.258  10.419  -7.619
  618    H    MET 109           H        MET 109   0.898   7.526  -3.190
  619    HA   MET 109           HA       MET 109  -0.655   5.121  -3.856
  620   1HB   MET 109          1HB       MET 109  -1.690   5.403  -1.577
  621   2HB   MET 109          2HB       MET 109   0.003   4.942  -1.560
  622   1HG   MET 109          1HG       MET 109  -0.832   7.806  -1.298
  623   2HG   MET 109          2HG       MET 109  -0.803   6.723   0.090
  624   1HE   MET 109          1HE       MET 109   2.962   5.700   0.268
  625   2HE   MET 109          2HE       MET 109   1.609   4.849  -0.481
  626   3HE   MET 109          3HE       MET 109   1.401   5.628   1.087
  627    H    LYS 110           H        LYS 110  -2.655   5.472  -4.706
  628    HA   LYS 110           HA       LYS 110  -3.710   8.169  -4.525
  629   1HB   LYS 110          1HB       LYS 110  -3.767   8.571  -6.890
  630   2HB   LYS 110          2HB       LYS 110  -2.107   8.217  -6.432
  631   1HG   LYS 110          1HG       LYS 110  -2.279   5.992  -7.333
  632   2HG   LYS 110          2HG       LYS 110  -3.998   6.215  -7.659
  633   1HD   LYS 110          1HD       LYS 110  -1.726   7.737  -8.931
  634   2HD   LYS 110          2HD       LYS 110  -2.703   6.485  -9.697
  635   1HE   LYS 110          1HE       LYS 110  -3.730   9.125  -8.662
  636   2HE   LYS 110          2HE       LYS 110  -3.414   8.742 -10.353
  637   1HZ   LYS 110          1HZ       LYS 110  -5.089   6.960 -10.174
  638   2HZ   LYS 110          2HZ       LYS 110  -5.737   8.500  -9.921
  639   3HZ   LYS 110          3HZ       LYS 110  -5.454   7.477  -8.601
  640    H    LYS 111           H        LYS 111  -5.850   8.317  -4.900
  641    HA   LYS 111           HA       LYS 111  -7.489   6.163  -4.600
  642   1HB   LYS 111          1HB       LYS 111  -8.092   8.450  -4.218
  643   2HB   LYS 111          2HB       LYS 111  -7.927   8.819  -5.923
  644   1HG   LYS 111          1HG       LYS 111  -9.782   6.981  -6.183
  645   2HG   LYS 111          2HG       LYS 111 -10.109   7.385  -4.495
  646   1HD   LYS 111          1HD       LYS 111 -11.500   8.837  -5.692
  647   2HD   LYS 111          2HD       LYS 111 -10.083   9.824  -5.291
  648   1HE   LYS 111          1HE       LYS 111 -10.715  10.174  -7.607
  649   2HE   LYS 111          2HE       LYS 111  -9.147   9.375  -7.510
  650   1HZ   LYS 111          1HZ       LYS 111 -10.404   8.316  -9.200
  651   2HZ   LYS 111          2HZ       LYS 111 -11.759   8.142  -8.200
  652   3HZ   LYS 111          3HZ       LYS 111 -10.356   7.241  -7.889
  653    H    ALA 112           H        ALA 112  -8.067   4.572  -5.833
  654    HA   ALA 112           HA       ALA 112  -7.171   4.192  -8.477
  655   1HB   ALA 112          1HB       ALA 112  -9.332   2.718  -6.969
  656   2HB   ALA 112          2HB       ALA 112  -7.606   2.359  -6.912
  657   3HB   ALA 112          3HB       ALA 112  -8.499   2.153  -8.419
  658    H    LEU 113           H        LEU 113  -8.355   4.125 -10.424
  659    HA   LEU 113           HA       LEU 113 -10.422   6.108 -10.603
  660   1HB   LEU 113          1HB       LEU 113 -10.413   5.526 -13.038
  661   2HB   LEU 113          2HB       LEU 113  -8.874   6.059 -12.397
  662    HG   LEU 113           HG       LEU 113  -8.321   3.541 -12.207
  663   1HD1  LEU 113          1HD1      LEU 113 -10.587   2.713 -12.625
  664   2HD1  LEU 113          2HD1      LEU 113  -9.428   2.102 -13.805
  665   3HD1  LEU 113          3HD1      LEU 113 -10.534   3.404 -14.248
  666   1HD2  LEU 113          1HD2      LEU 113  -7.511   3.512 -14.503
  667   2HD2  LEU 113          2HD2      LEU 113  -7.245   5.085 -13.746
  668   3HD2  LEU 113          3HD2      LEU 113  -8.565   4.871 -14.898
  669    H    SER 114           H        SER 114 -10.478   2.940  -9.710
  670    HA   SER 114           HA       SER 114 -12.951   2.170 -10.950
  671   1HB   SER 114          1HB       SER 114 -12.752   0.301  -9.150
  672   2HB   SER 114          2HB       SER 114 -11.567   0.350 -10.457
  673    HG   SER 114           HG       SER 114 -11.255   0.885  -7.746
  674    H    GLY 115           H        GLY 115 -12.001   3.909  -8.113
  675   1HA   GLY 115          1HA       GLY 115 -14.094   5.286  -7.463
  676   2HA   GLY 115          2HA       GLY 115 -14.728   3.706  -7.029
  677    H    ASP 116           H        ASP 116 -14.739   3.497  -4.903
  678    HA   ASP 116           HA       ASP 116 -12.948   5.006  -3.239
  679   1HB   ASP 116          1HB       ASP 116 -15.282   4.718  -2.576
  680   2HB   ASP 116          2HB       ASP 116 -15.064   2.974  -2.501
  681    H    SER 117           H        SER 117 -11.048   4.076  -4.074
  682    HA   SER 117           HA       SER 117  -9.948   2.057  -2.381
  683   1HB   SER 117          1HB       SER 117  -9.127   0.747  -4.440
  684   2HB   SER 117          2HB       SER 117 -10.770   0.470  -3.876
  685    HG   SER 117           HG       SER 117 -11.538   1.300  -5.663
  686    H    TYR 118           H        TYR 118  -7.604   1.959  -2.696
  687    HA   TYR 118           HA       TYR 118  -6.525   4.201  -4.257
  688   1HB   TYR 118          1HB       TYR 118  -5.720   3.769  -1.371
  689   2HB   TYR 118          2HB       TYR 118  -5.311   5.126  -2.420
  690    HD1  TYR 118           HD1      TYR 118  -7.687   3.764  -0.111
  691    HD2  TYR 118           HD2      TYR 118  -7.054   6.751  -3.045
  692    HE1  TYR 118           HE1      TYR 118  -9.615   5.022   0.777
  693    HE2  TYR 118           HE2      TYR 118  -8.978   8.030  -2.179
  694    HH   TYR 118           HH       TYR 118 -10.511   7.225   0.809
  695    H    TRP 119           H        TRP 119  -4.457   3.870  -5.053
  696    HA   TRP 119           HA       TRP 119  -3.466   1.156  -4.840
  697   1HB   TRP 119          1HB       TRP 119  -2.628   3.543  -6.478
  698   2HB   TRP 119          2HB       TRP 119  -1.801   1.977  -6.532
  699    HD1  TRP 119           HD1      TRP 119  -5.379   3.378  -7.180
  700    HE1  TRP 119           HE1      TRP 119  -6.364   2.021  -9.157
  701    HE3  TRP 119           HE3      TRP 119  -1.539   0.115  -7.915
  702    HZ2  TRP 119           HZ2      TRP 119  -5.584  -0.154 -10.789
  703    HZ3  TRP 119           HZ3      TRP 119  -1.712  -1.554  -9.670
  704    HH2  TRP 119           HH2      TRP 119  -3.695  -1.701 -11.100
  705    H    VAL 120           H        VAL 120  -1.194   0.809  -4.593
  706    HA   VAL 120           HA       VAL 120   0.287   2.841  -3.069
  707    HB   VAL 120           HB       VAL 120   0.203   0.000  -2.585
  708   1HG1  VAL 120          1HG1      VAL 120   1.608   0.604  -0.655
  709   2HG1  VAL 120          2HG1      VAL 120   1.670   2.269  -1.227
  710   3HG1  VAL 120          3HG1      VAL 120   2.401   0.980  -2.183
  711   1HG2  VAL 120          1HG2      VAL 120  -1.839   1.062  -1.830
  712   2HG2  VAL 120          2HG2      VAL 120  -0.904   2.299  -0.992
  713   3HG2  VAL 120          3HG2      VAL 120  -0.819   0.621  -0.461
  714    H    PHE 121           H        PHE 121   1.629   3.342  -4.783
  715    HA   PHE 121           HA       PHE 121   3.192   1.127  -5.946
  716   1HB   PHE 121          1HB       PHE 121   3.127   4.032  -6.768
  717   2HB   PHE 121          2HB       PHE 121   3.974   2.747  -7.597
  718    HD1  PHE 121           HD1      PHE 121   0.889   4.535  -7.247
  719    HD2  PHE 121           HD2      PHE 121   2.638   0.947  -8.717
  720    HE1  PHE 121           HE1      PHE 121  -1.064   4.182  -8.703
  721    HE2  PHE 121           HE2      PHE 121   0.689   0.585 -10.171
  722    HZ   PHE 121           HZ       PHE 121  -1.164   2.207 -10.167
  723    H    VAL 122           H        VAL 122   5.076   0.751  -4.935
  724    HA   VAL 122           HA       VAL 122   6.665   3.107  -4.149
  725    HB   VAL 122           HB       VAL 122   7.795   1.769  -2.661
  726   1HG1  VAL 122          1HG1      VAL 122   6.051   3.295  -1.941
  727   2HG1  VAL 122          2HG1      VAL 122   6.016   1.825  -0.969
  728   3HG1  VAL 122          3HG1      VAL 122   4.825   2.063  -2.247
  729   1HG2  VAL 122          1HG2      VAL 122   5.604  -0.218  -3.200
  730   2HG2  VAL 122          2HG2      VAL 122   6.764  -0.297  -1.874
  731   3HG2  VAL 122          3HG2      VAL 122   7.321  -0.432  -3.542
  732    H    LYS 123           H        LYS 123   8.932   2.931  -4.488
  733    HA   LYS 123           HA       LYS 123   9.953   0.554  -5.752
  734   1HB   LYS 123          1HB       LYS 123   8.899   1.958  -7.622
  735   2HB   LYS 123          2HB       LYS 123  10.197   3.111  -7.331
  736   1HG   LYS 123          1HG       LYS 123  11.845   1.342  -7.789
  737   2HG   LYS 123          2HG       LYS 123  10.526   0.228  -8.137
  738   1HD   LYS 123          1HD       LYS 123  11.294   1.002 -10.229
  739   2HD   LYS 123          2HD       LYS 123   9.786   1.864  -9.921
  740   1HE   LYS 123          1HE       LYS 123  10.985   3.839  -9.270
  741   2HE   LYS 123          2HE       LYS 123  12.526   2.983  -9.340
  742   1HZ   LYS 123          1HZ       LYS 123  10.752   3.654 -11.629
  743   2HZ   LYS 123          2HZ       LYS 123  12.112   2.649 -11.748
  744   3HZ   LYS 123          3HZ       LYS 123  12.298   4.280 -11.310
  745    H    ARG 124           H        ARG 124  12.018   0.262  -5.256
  746    HA   ARG 124           HA       ARG 124  13.335   2.352  -3.725
  747   1HB   ARG 124          1HB       ARG 124  14.944   0.645  -3.100
  748   2HB   ARG 124          2HB       ARG 124  13.313   0.037  -2.868
  749   1HG   ARG 124          1HG       ARG 124  13.484  -1.202  -4.975
  750   2HG   ARG 124          2HG       ARG 124  15.134  -0.607  -5.178
  751   1HD   ARG 124          1HD       ARG 124  15.646  -1.645  -2.932
  752   2HD   ARG 124          2HD       ARG 124  14.071  -2.431  -3.035
  753    HE   ARG 124           HE       ARG 124  15.905  -2.822  -5.268
  754   1HH1  ARG 124          1HH1      ARG 124  14.457  -4.086  -2.344
  755   2HH1  ARG 124          2HH1      ARG 124  14.911  -5.730  -2.661
  756   1HH2  ARG 124          1HH2      ARG 124  16.528  -4.985  -5.695
  757   2HH2  ARG 124          2HH2      ARG 124  16.108  -6.242  -4.560
  758    H    VAL 125           H        VAL 125  15.182   3.381  -4.294
  759    HA   VAL 125           HA       VAL 125  16.241   2.807  -6.968
  760    HB   VAL 125           HB       VAL 125  14.908   4.582  -7.093
  761   1HG1  VAL 125          1HG1      VAL 125  15.341   6.646  -5.854
  762   2HG1  VAL 125          2HG1      VAL 125  16.560   5.809  -4.894
  763   3HG1  VAL 125          3HG1      VAL 125  14.866   5.329  -4.782
  764   1HG2  VAL 125          1HG2      VAL 125  16.936   4.542  -8.413
  765   2HG2  VAL 125          2HG2      VAL 125  17.803   5.367  -7.117
  766   3HG2  VAL 125          3HG2      VAL 125  16.493   6.190  -7.963
  767    H2   HC4 169           H2       HC4 169  -3.700  -7.229  16.219
  768    H3   HC4 169           H3       HC4 169  -2.679  -6.415  17.956
  769    H2'  HC4 169           H2'      HC4 169  -1.018  -6.184  19.703
  770    H3'  HC4 169           H3'      HC4 169   0.824  -7.024  21.088
  771    H5'  HC4 169           H5'      HC4 169   1.273 -10.330  18.448
  772    H6'  HC4 169           H6'      HC4 169  -0.653  -9.551  17.155
  773   'HO4  HC4 169          'HO4      HC4 169   2.967  -9.394  19.970
  Start of MODEL    6
    1    H    LEU  26           H        LEU  26   7.493  -0.930 -14.721
    2    HA   LEU  26           HA       LEU  26   8.211  -2.303 -12.902
    3   1HB   LEU  26          1HB       LEU  26   5.756  -0.660 -12.248
    4   2HB   LEU  26          2HB       LEU  26   6.941  -1.207 -11.077
    5    HG   LEU  26           HG       LEU  26   7.507   0.693 -13.357
    6   1HD1  LEU  26          1HD1      LEU  26   7.634   2.408 -11.654
    7   2HD1  LEU  26          2HD1      LEU  26   7.247   1.229 -10.402
    8   3HD1  LEU  26          3HD1      LEU  26   6.043   1.645 -11.622
    9   1HD2  LEU  26          1HD2      LEU  26   9.647   1.039 -12.214
   10   2HD2  LEU  26          2HD2      LEU  26   9.454  -0.637 -12.726
   11   3HD2  LEU  26          3HD2      LEU  26   9.216  -0.201 -11.035
   12    H    ALA  27           H        ALA  27   7.996  -4.445 -12.689
   13    HA   ALA  27           HA       ALA  27   5.328  -5.557 -12.146
   14   1HB   ALA  27          1HB       ALA  27   6.295  -7.722 -12.632
   15   2HB   ALA  27          2HB       ALA  27   7.902  -7.008 -12.760
   16   3HB   ALA  27          3HB       ALA  27   6.659  -6.602 -13.944
   17    H    PHE  28           H        PHE  28   6.817  -3.966 -10.250
   18    HA   PHE  28           HA       PHE  28   6.575  -5.657  -7.963
   19   1HB   PHE  28          1HB       PHE  28   8.830  -6.312  -8.592
   20   2HB   PHE  28          2HB       PHE  28   9.315  -4.628  -8.749
   21    HD1  PHE  28           HD1      PHE  28  10.241  -3.505  -6.941
   22    HD2  PHE  28           HD2      PHE  28   8.091  -7.117  -6.275
   23    HE1  PHE  28           HE1      PHE  28  10.961  -3.496  -4.587
   24    HE2  PHE  28           HE2      PHE  28   8.806  -7.114  -3.921
   25    HZ   PHE  28           HZ       PHE  28  10.245  -5.301  -3.074
   26    H    GLY  29           H        GLY  29   6.051  -4.436  -6.202
   27   1HA   GLY  29          1HA       GLY  29   6.322  -2.528  -4.794
   28   2HA   GLY  29          2HA       GLY  29   6.806  -1.597  -6.201
   29    H    ALA  30           H        ALA  30   4.237  -3.246  -7.287
   30    HA   ALA  30           HA       ALA  30   2.494  -0.960  -6.672
   31   1HB   ALA  30          1HB       ALA  30   2.447  -2.807  -9.058
   32   2HB   ALA  30          2HB       ALA  30   3.104  -1.171  -9.025
   33   3HB   ALA  30          3HB       ALA  30   1.374  -1.434  -8.795
   34    H    ILE  31           H        ILE  31   0.918  -1.367  -5.283
   35    HA   ILE  31           HA       ILE  31  -0.636  -3.816  -5.658
   36    HB   ILE  31           HB       ILE  31   0.618  -4.262  -3.937
   37   1HG1  ILE  31          1HG1      ILE  31  -2.149  -3.485  -3.114
   38   2HG1  ILE  31          2HG1      ILE  31  -1.597  -5.025  -3.761
   39   1HG2  ILE  31          1HG2      ILE  31   0.736  -2.896  -1.916
   40   2HG2  ILE  31          2HG2      ILE  31  -0.250  -1.663  -2.700
   41   3HG2  ILE  31          3HG2      ILE  31   1.363  -2.024  -3.316
   42   1HD1  ILE  31          1HD1      ILE  31  -0.279  -5.409  -1.753
   43   2HD1  ILE  31          2HD1      ILE  31  -1.982  -5.160  -1.370
   44   3HD1  ILE  31          3HD1      ILE  31  -0.818  -3.862  -1.103
   45    H    GLN  32           H        GLN  32  -2.817  -3.605  -5.400
   46    HA   GLN  32           HA       GLN  32  -3.755  -0.859  -4.922
   47   1HB   GLN  32          1HB       GLN  32  -4.875  -0.903  -6.859
   48   2HB   GLN  32          2HB       GLN  32  -4.018  -2.381  -7.244
   49   1HG   GLN  32          1HG       GLN  32  -6.168  -3.000  -7.630
   50   2HG   GLN  32          2HG       GLN  32  -5.960  -3.517  -5.955
   51   1HE2  GLN  32          1HE2      GLN  32  -7.452  -1.197  -8.087
   52   2HE2  GLN  32          2HE2      GLN  32  -8.569  -0.557  -6.933
   53    H    LEU  33           H        LEU  33  -5.048  -0.614  -3.240
   54    HA   LEU  33           HA       LEU  33  -6.428  -3.018  -2.247
   55   1HB   LEU  33          1HB       LEU  33  -5.965  -2.262   0.074
   56   2HB   LEU  33          2HB       LEU  33  -4.563  -2.809  -0.813
   57    HG   LEU  33           HG       LEU  33  -4.140  -0.298  -1.279
   58   1HD1  LEU  33          1HD1      LEU  33  -4.938   1.211   0.451
   59   2HD1  LEU  33          2HD1      LEU  33  -5.914  -0.083   1.146
   60   3HD1  LEU  33          3HD1      LEU  33  -6.287   0.534  -0.463
   61   1HD2  LEU  33          1HD2      LEU  33  -2.728  -1.714   0.100
   62   2HD2  LEU  33          2HD2      LEU  33  -3.797  -1.456   1.478
   63   3HD2  LEU  33          3HD2      LEU  33  -2.886  -0.105   0.803
   64    H    ASP  34           H        ASP  34  -8.261  -2.665  -0.983
   65    HA   ASP  34           HA       ASP  34  -9.919  -0.573  -2.027
   66   1HB   ASP  34          1HB       ASP  34 -11.305  -2.333  -1.705
   67   2HB   ASP  34          2HB       ASP  34 -10.241  -3.065  -0.511
   68    H    GLY  35           H        GLY  35 -10.948   1.053  -0.854
   69   1HA   GLY  35          1HA       GLY  35  -9.129   2.276   1.029
   70   2HA   GLY  35          2HA       GLY  35 -10.537   3.024   0.294
   71    H    ASP  36           H        ASP  36 -10.537  -0.010   1.999
   72    HA   ASP  36           HA       ASP  36 -11.817   1.263   4.316
   73   1HB   ASP  36          1HB       ASP  36 -13.465   0.234   2.696
   74   2HB   ASP  36          2HB       ASP  36 -12.747  -1.328   3.078
   75    H    GLY  37           H        GLY  37  -9.804  -1.206   2.952
   76   1HA   GLY  37          1HA       GLY  37  -7.944  -1.622   4.715
   77   2HA   GLY  37          2HA       GLY  37  -9.273  -2.348   5.607
   78    H    ASN  38           H        ASN  38 -10.006  -2.921   2.500
   79    HA   ASN  38           HA       ASN  38  -9.092  -5.685   2.721
   80   1HB   ASN  38          1HB       ASN  38 -10.951  -4.410   0.695
   81   2HB   ASN  38          2HB       ASN  38 -10.688  -6.133   0.926
   82   1HD2  ASN  38          1HD2      ASN  38 -12.131  -3.245   2.231
   83   2HD2  ASN  38          2HD2      ASN  38 -13.184  -4.052   3.354
   84    H    ILE  39           H        ILE  39  -7.888  -6.752   1.103
   85    HA   ILE  39           HA       ILE  39  -6.373  -4.999  -0.683
   86    HB   ILE  39           HB       ILE  39  -6.276  -7.845  -0.357
   87   1HG1  ILE  39          1HG1      ILE  39  -5.832  -6.823   1.786
   88   2HG1  ILE  39          2HG1      ILE  39  -4.351  -7.456   1.073
   89   1HG2  ILE  39          1HG2      ILE  39  -4.375  -5.791  -1.502
   90   2HG2  ILE  39          2HG2      ILE  39  -5.295  -6.982  -2.422
   91   3HG2  ILE  39          3HG2      ILE  39  -4.022  -7.508  -1.318
   92   1HD1  ILE  39          1HD1      ILE  39  -3.989  -5.299   2.155
   93   2HD1  ILE  39          2HD1      ILE  39  -5.195  -4.560   1.100
   94   3HD1  ILE  39          3HD1      ILE  39  -3.701  -5.200   0.418
   95    H    LEU  40           H        LEU  40  -6.576  -5.084  -2.917
   96    HA   LEU  40           HA       LEU  40  -8.764  -6.809  -3.872
   97   1HB   LEU  40          1HB       LEU  40  -9.219  -4.379  -3.978
   98   2HB   LEU  40          2HB       LEU  40  -7.838  -4.190  -5.043
   99    HG   LEU  40           HG       LEU  40  -8.939  -5.597  -6.732
  100   1HD1  LEU  40          1HD1      LEU  40 -11.272  -6.248  -6.461
  101   2HD1  LEU  40          2HD1      LEU  40 -11.265  -5.613  -4.815
  102   3HD1  LEU  40          3HD1      LEU  40 -10.257  -7.000  -5.232
  103   1HD2  LEU  40          1HD2      LEU  40  -9.268  -3.176  -6.797
  104   2HD2  LEU  40          2HD2      LEU  40 -10.676  -3.336  -5.746
  105   3HD2  LEU  40          3HD2      LEU  40 -10.700  -4.034  -7.365
  106    H    GLN  41           H        GLN  41  -5.763  -5.254  -5.044
  107    HA   GLN  41           HA       GLN  41  -5.186  -7.672  -6.589
  108   1HB   GLN  41          1HB       GLN  41  -5.541  -4.936  -7.813
  109   2HB   GLN  41          2HB       GLN  41  -4.699  -6.252  -8.621
  110   1HG   GLN  41          1HG       GLN  41  -6.670  -7.560  -8.731
  111   2HG   GLN  41          2HG       GLN  41  -7.533  -6.466  -7.651
  112   1HE2  GLN  41          1HE2      GLN  41  -8.311  -4.532  -8.443
  113   2HE2  GLN  41          2HE2      GLN  41  -8.446  -4.208 -10.138
  114    H    TYR  42           H        TYR  42  -3.041  -7.909  -7.202
  115    HA   TYR  42           HA       TYR  42  -1.164  -5.932  -6.076
  116   1HB   TYR  42          1HB       TYR  42  -1.342  -7.959  -4.639
  117   2HB   TYR  42          2HB       TYR  42  -0.856  -8.947  -6.008
  118    HD1  TYR  42           HD1      TYR  42   1.354  -9.601  -6.074
  119    HD2  TYR  42           HD2      TYR  42   0.371  -5.938  -4.150
  120    HE1  TYR  42           HE1      TYR  42   3.716  -9.294  -5.470
  121    HE2  TYR  42           HE2      TYR  42   2.731  -5.621  -3.536
  122    HH   TYR  42           HH       TYR  42   5.240  -7.294  -4.917
  123    H    ASN  43           H        ASN  43   0.103  -5.104  -7.634
  124    HA   ASN  43           HA       ASN  43   0.295  -6.574 -10.174
  125   1HB   ASN  43          1HB       ASN  43   0.837  -3.663  -9.528
  126   2HB   ASN  43          2HB       ASN  43   1.142  -4.394 -11.094
  127   1HD2  ASN  43          1HD2      ASN  43  -1.656  -5.047  -9.044
  128   2HD2  ASN  43          2HD2      ASN  43  -2.813  -4.341 -10.116
  129    H    ALA  44           H        ALA  44   1.934  -8.006  -9.706
  130    HA   ALA  44           HA       ALA  44   4.588  -7.063  -9.990
  131   1HB   ALA  44          1HB       ALA  44   5.517  -7.702  -7.843
  132   2HB   ALA  44          2HB       ALA  44   3.918  -8.162  -7.260
  133   3HB   ALA  44          3HB       ALA  44   4.274  -6.471  -7.612
  134    H    ALA  45           H        ALA  45   6.117  -8.800 -10.167
  135    HA   ALA  45           HA       ALA  45   4.804 -11.344 -10.799
  136   1HB   ALA  45          1HB       ALA  45   6.813 -11.873 -12.067
  137   2HB   ALA  45          2HB       ALA  45   7.581 -10.389 -11.503
  138   3HB   ALA  45          3HB       ALA  45   6.170 -10.306 -12.557
  139    H    GLU  46           H        GLU  46   4.588 -12.175  -8.716
  140    HA   GLU  46           HA       GLU  46   7.131 -13.047  -7.509
  141   1HB   GLU  46          1HB       GLU  46   5.627 -11.448  -6.140
  142   2HB   GLU  46          2HB       GLU  46   4.540 -12.823  -5.981
  143   1HG   GLU  46          1HG       GLU  46   6.567 -14.095  -5.089
  144   2HG   GLU  46          2HG       GLU  46   7.333 -12.516  -4.936
  145    H    GLY  47           H        GLY  47   5.309 -14.144  -9.622
  146   1HA   GLY  47          1HA       GLY  47   4.021 -16.453  -8.523
  147   2HA   GLY  47          2HA       GLY  47   4.300 -16.126 -10.228
  148    H    ASP  48           H        ASP  48   5.892 -17.194  -7.270
  149    HA   ASP  48           HA       ASP  48   8.199 -18.214  -8.618
  150   1HB   ASP  48          1HB       ASP  48   8.289 -17.436  -6.288
  151   2HB   ASP  48          2HB       ASP  48   7.175 -18.712  -5.815
  152    H    ILE  49           H        ILE  49   7.812 -19.749 -10.054
  153    HA   ILE  49           HA       ILE  49   7.092 -21.652 -11.057
  154    HB   ILE  49           HB       ILE  49   7.115 -22.785  -8.420
  155   1HG1  ILE  49          1HG1      ILE  49   9.139 -21.396  -8.724
  156   2HG1  ILE  49          2HG1      ILE  49   9.498 -23.117  -8.698
  157   1HG2  ILE  49          1HG2      ILE  49   7.878 -24.739  -9.692
  158   2HG2  ILE  49          2HG2      ILE  49   7.752 -23.812 -11.187
  159   3HG2  ILE  49          3HG2      ILE  49   6.302 -24.183 -10.253
  160   1HD1  ILE  49          1HD1      ILE  49  10.803 -21.977 -10.394
  161   2HD1  ILE  49          2HD1      ILE  49   9.326 -21.383 -11.153
  162   3HD1  ILE  49          3HD1      ILE  49   9.676 -23.111 -11.138
  163    H    THR  50           H        THR  50   5.053 -20.022 -10.653
  164    HA   THR  50           HA       THR  50   2.814 -19.780 -10.419
  165    HB   THR  50           HB       THR  50   2.792 -22.653 -10.398
  166    HG1  THR  50           HG1      THR  50   3.012 -20.697 -12.475
  167   1HG2  THR  50          1HG2      THR  50   0.661 -21.607  -9.854
  168   2HG2  THR  50          2HG2      THR  50   0.625 -22.264 -11.490
  169   3HG2  THR  50          3HG2      THR  50   0.821 -20.530 -11.241
  170    H    GLY  51           H        GLY  51   3.318 -19.037  -8.241
  171   1HA   GLY  51          1HA       GLY  51   1.572 -20.277  -6.360
  172   2HA   GLY  51          2HA       GLY  51   3.259 -20.493  -5.919
  173    H    ARG  52           H        ARG  52   0.594 -18.499  -5.655
  174    HA   ARG  52           HA       ARG  52   2.283 -16.439  -4.431
  175   1HB   ARG  52          1HB       ARG  52   0.889 -14.691  -5.221
  176   2HB   ARG  52          2HB       ARG  52   1.220 -15.713  -6.610
  177   1HG   ARG  52          1HG       ARG  52  -0.983 -16.770  -6.331
  178   2HG   ARG  52          2HG       ARG  52  -1.317 -15.670  -4.992
  179   1HD   ARG  52          1HD       ARG  52  -0.889 -13.776  -6.605
  180   2HD   ARG  52          2HD       ARG  52  -0.884 -14.981  -7.890
  181    HE   ARG  52           HE       ARG  52  -3.240 -15.236  -6.350
  182   1HH1  ARG  52          1HH1      ARG  52  -1.760 -13.213  -8.799
  183   2HH1  ARG  52          2HH1      ARG  52  -3.268 -12.534  -9.330
  184   1HH2  ARG  52          1HH2      ARG  52  -5.220 -14.362  -7.055
  185   2HH2  ARG  52          2HH2      ARG  52  -5.238 -13.169  -8.323
  186    H    ASP  53           H        ASP  53   1.243 -15.329  -2.622
  187    HA   ASP  53           HA       ASP  53  -0.476 -17.204  -1.167
  188   1HB   ASP  53          1HB       ASP  53   1.566 -16.507  -0.018
  189   2HB   ASP  53          2HB       ASP  53   1.096 -14.816  -0.176
  190    HA   PRO  54           HA       PRO  54  -3.742 -14.153  -1.648
  191   1HB   PRO  54          1HB       PRO  54  -5.754 -15.911  -1.769
  192   2HB   PRO  54          2HB       PRO  54  -4.647 -15.694  -3.127
  193   1HG   PRO  54          1HG       PRO  54  -4.861 -17.933  -1.215
  194   2HG   PRO  54          2HG       PRO  54  -4.220 -17.920  -2.865
  195   1HD   PRO  54          1HD       PRO  54  -2.762 -17.772  -0.388
  196   2HD   PRO  54          2HD       PRO  54  -2.117 -17.785  -2.040
  197    H    LYS  55           H        LYS  55  -2.549 -15.274   0.967
  198    HA   LYS  55           HA       LYS  55  -4.971 -15.278   2.608
  199   1HB   LYS  55          1HB       LYS  55  -2.180 -16.206   3.262
  200   2HB   LYS  55          2HB       LYS  55  -3.525 -16.219   4.395
  201   1HG   LYS  55          1HG       LYS  55  -4.710 -17.823   3.056
  202   2HG   LYS  55          2HG       LYS  55  -3.483 -17.729   1.791
  203   1HD   LYS  55          1HD       LYS  55  -1.823 -18.660   3.297
  204   2HD   LYS  55          2HD       LYS  55  -3.000 -18.685   4.612
  205   1HE   LYS  55          1HE       LYS  55  -3.317 -20.196   2.022
  206   2HE   LYS  55          2HE       LYS  55  -2.651 -20.890   3.498
  207   1HZ   LYS  55          1HZ       LYS  55  -4.735 -20.464   4.620
  208   2HZ   LYS  55          2HZ       LYS  55  -5.006 -21.398   3.235
  209   3HZ   LYS  55          3HZ       LYS  55  -5.382 -19.743   3.230
  210    H    GLN  56           H        GLN  56  -1.722 -14.046   2.572
  211    HA   GLN  56           HA       GLN  56  -2.471 -11.888   4.406
  212   1HB   GLN  56          1HB       GLN  56  -0.367 -13.159   4.799
  213   2HB   GLN  56          2HB       GLN  56   0.240 -12.588   3.252
  214   1HG   GLN  56          1HG       GLN  56   0.081 -10.271   4.079
  215   2HG   GLN  56          2HG       GLN  56  -0.429 -10.894   5.648
  216   1HE2  GLN  56          1HE2      GLN  56   1.324 -10.032   6.717
  217   2HE2  GLN  56          2HE2      GLN  56   2.928 -10.672   6.539
  218    H    VAL  57           H        VAL  57  -1.539 -12.500   1.104
  219    HA   VAL  57           HA       VAL  57  -1.840  -9.636   0.502
  220    HB   VAL  57           HB       VAL  57  -0.697 -11.712  -1.107
  221   1HG1  VAL  57          1HG1      VAL  57  -1.552  -9.802  -2.349
  222   2HG1  VAL  57          2HG1      VAL  57   0.212  -9.795  -2.332
  223   3HG1  VAL  57          3HG1      VAL  57  -0.683  -8.702  -1.277
  224   1HG2  VAL  57          1HG2      VAL  57   0.624  -9.721   0.717
  225   2HG2  VAL  57          2HG2      VAL  57   1.449 -10.750  -0.455
  226   3HG2  VAL  57          3HG2      VAL  57   0.605 -11.476   0.911
  227    H    ILE  58           H        ILE  58  -3.630  -9.058  -0.526
  228    HA   ILE  58           HA       ILE  58  -5.469  -9.041  -1.850
  229    HB   ILE  58           HB       ILE  58  -4.360 -11.495  -2.837
  230   1HG1  ILE  58          1HG1      ILE  58  -4.154  -8.660  -3.836
  231   2HG1  ILE  58          2HG1      ILE  58  -2.858  -9.573  -3.066
  232   1HG2  ILE  58          1HG2      ILE  58  -6.738 -11.313  -3.350
  233   2HG2  ILE  58          2HG2      ILE  58  -5.769 -11.040  -4.799
  234   3HG2  ILE  58          3HG2      ILE  58  -6.491  -9.674  -3.949
  235   1HD1  ILE  58          1HD1      ILE  58  -4.206 -10.305  -5.654
  236   2HD1  ILE  58          2HD1      ILE  58  -2.862 -11.160  -4.897
  237   3HD1  ILE  58          3HD1      ILE  58  -2.635  -9.518  -5.501
  238    H    GLY  59           H        GLY  59  -7.584  -9.822  -1.838
  239   1HA   GLY  59          1HA       GLY  59  -9.369 -11.167  -1.250
  240   2HA   GLY  59          2HA       GLY  59  -8.223 -12.448  -0.876
  241    H    LYS  60           H        LYS  60  -7.285  -9.692   0.683
  242    HA   LYS  60           HA       LYS  60  -8.081 -10.656   3.251
  243   1HB   LYS  60          1HB       LYS  60  -5.965  -9.543   3.090
  244   2HB   LYS  60          2HB       LYS  60  -6.687  -8.143   2.312
  245   1HG   LYS  60          1HG       LYS  60  -6.081  -7.670   4.623
  246   2HG   LYS  60          2HG       LYS  60  -7.825  -7.558   4.390
  247   1HD   LYS  60          1HD       LYS  60  -7.416  -8.704   6.455
  248   2HD   LYS  60          2HD       LYS  60  -8.020  -9.879   5.286
  249   1HE   LYS  60          1HE       LYS  60  -6.198 -10.853   6.502
  250   2HE   LYS  60          2HE       LYS  60  -5.693 -10.568   4.840
  251   1HZ   LYS  60          1HZ       LYS  60  -4.438  -8.671   5.511
  252   2HZ   LYS  60          2HZ       LYS  60  -4.027  -9.945   6.554
  253   3HZ   LYS  60          3HZ       LYS  60  -5.073  -8.722   7.083
  254    H    ASN  61           H        ASN  61 -10.230 -10.619   3.563
  255    HA   ASN  61           HA       ASN  61 -11.627  -8.082   3.075
  256   1HB   ASN  61          1HB       ASN  61 -12.617 -10.920   3.208
  257   2HB   ASN  61          2HB       ASN  61 -13.718  -9.560   3.410
  258   1HD2  ASN  61          1HD2      ASN  61 -14.061  -8.151   1.665
  259   2HD2  ASN  61          2HD2      ASN  61 -13.715  -8.622   0.041
  260    H    PHE  62           H        PHE  62 -11.342  -6.908   4.840
  261    HA   PHE  62           HA       PHE  62 -11.970  -8.140   7.443
  262   1HB   PHE  62          1HB       PHE  62  -9.543  -7.479   7.051
  263   2HB   PHE  62          2HB       PHE  62 -10.095  -5.809   6.986
  264    HD1  PHE  62           HD1      PHE  62 -10.532  -4.589   8.952
  265    HD2  PHE  62           HD2      PHE  62  -9.814  -8.779   9.179
  266    HE1  PHE  62           HE1      PHE  62 -10.370  -4.428  11.400
  267    HE2  PHE  62           HE2      PHE  62  -9.651  -8.620  11.630
  268    HZ   PHE  62           HZ       PHE  62  -9.853  -6.467  12.738
  269    H    PHE  63           H        PHE  63 -13.451  -7.083   8.698
  270    HA   PHE  63           HA       PHE  63 -14.707  -4.739   7.457
  271   1HB   PHE  63          1HB       PHE  63 -15.812  -6.655   9.522
  272   2HB   PHE  63          2HB       PHE  63 -16.687  -5.303   8.805
  273    HD1  PHE  63           HD1      PHE  63 -15.678  -8.728   8.439
  274    HD2  PHE  63           HD2      PHE  63 -17.170  -5.340   6.346
  275    HE1  PHE  63           HE1      PHE  63 -16.416 -10.192   6.606
  276    HE2  PHE  63           HE2      PHE  63 -17.912  -6.797   4.507
  277    HZ   PHE  63           HZ       PHE  63 -17.536  -9.227   4.635
  278    H    LYS  64           H        LYS  64 -15.420  -3.010   8.807
  279    HA   LYS  64           HA       LYS  64 -13.388  -2.123  10.546
  280   1HB   LYS  64          1HB       LYS  64 -15.024  -0.224  10.997
  281   2HB   LYS  64          2HB       LYS  64 -14.523  -0.456   9.328
  282   1HG   LYS  64          1HG       LYS  64 -16.906  -1.975   9.938
  283   2HG   LYS  64          2HG       LYS  64 -17.121  -0.257  10.282
  284   1HD   LYS  64          1HD       LYS  64 -16.023  -1.321   7.679
  285   2HD   LYS  64          2HD       LYS  64 -17.730  -0.958   7.946
  286   1HE   LYS  64          1HE       LYS  64 -17.158   1.366   8.446
  287   2HE   LYS  64          2HE       LYS  64 -15.450   1.004   8.198
  288   1HZ   LYS  64          1HZ       LYS  64 -15.811   0.626   5.914
  289   2HZ   LYS  64          2HZ       LYS  64 -16.644   2.061   6.274
  290   3HZ   LYS  64          3HZ       LYS  64 -17.499   0.611   6.089
  291    H    ASP  65           H        ASP  65 -13.046  -3.003  12.471
  292    HA   ASP  65           HA       ASP  65 -15.239  -3.737  14.210
  293   1HB   ASP  65          1HB       ASP  65 -13.496  -4.372  15.825
  294   2HB   ASP  65          2HB       ASP  65 -13.181  -5.085  14.248
  295    H    VAL  66           H        VAL  66 -12.453  -1.541  14.691
  296    HA   VAL  66           HA       VAL  66 -14.409   0.478  15.527
  297    HB   VAL  66           HB       VAL  66 -13.242  -0.170  17.312
  298   1HG1  VAL  66          1HG1      VAL  66 -11.227  -1.075  16.253
  299   2HG1  VAL  66          2HG1      VAL  66 -10.851   0.074  17.535
  300   3HG1  VAL  66          3HG1      VAL  66 -10.718   0.566  15.848
  301   1HG2  VAL  66          1HG2      VAL  66 -12.394   2.515  16.272
  302   2HG2  VAL  66          2HG2      VAL  66 -12.316   2.000  17.957
  303   3HG2  VAL  66          3HG2      VAL  66 -13.877   2.136  17.148
  304    H    ALA  67           H        ALA  67 -11.163  -0.012  14.173
  305    HA   ALA  67           HA       ALA  67 -11.465   1.276  11.790
  306   1HB   ALA  67          1HB       ALA  67 -10.487   3.486  12.098
  307   2HB   ALA  67          2HB       ALA  67 -10.375   3.214  13.838
  308   3HB   ALA  67          3HB       ALA  67 -11.956   3.334  13.063
  309    HA   PRO  68           HA       PRO  68  -7.410  -0.583  11.706
  310   1HB   PRO  68          1HB       PRO  68  -7.039   0.723   9.110
  311   2HB   PRO  68          2HB       PRO  68  -7.139  -0.998   9.492
  312   1HG   PRO  68          1HG       PRO  68  -9.107   0.290   8.170
  313   2HG   PRO  68          2HG       PRO  68  -9.436  -1.049   9.288
  314   1HD   PRO  68          1HD       PRO  68  -9.701   1.904   9.732
  315   2HD   PRO  68          2HD       PRO  68 -10.788   0.589  10.228
  316    H    CYS  69           H        CYS  69  -6.411   0.675  13.310
  317    HA   CYS  69           HA       CYS  69  -4.557   2.678  12.313
  318   1HB   CYS  69          1HB       CYS  69  -5.255   4.392  13.933
  319   2HB   CYS  69          2HB       CYS  69  -6.550   4.018  12.802
  320    H    THR  70           H        THR  70  -4.460   0.015  13.568
  321    HA   THR  70           HA       THR  70  -3.277   0.648  16.187
  322    HB   THR  70           HB       THR  70  -3.862  -1.929  15.070
  323    HG1  THR  70           HG1      THR  70  -5.487  -0.037  16.471
  324   1HG2  THR  70          1HG2      THR  70  -3.519  -0.846  17.862
  325   2HG2  THR  70          2HG2      THR  70  -2.379  -1.880  16.998
  326   3HG2  THR  70          3HG2      THR  70  -3.967  -2.501  17.446
  327    H    ASP  71           H        ASP  71  -2.631  -1.036  13.135
  328    HA   ASP  71           HA       ASP  71  -0.231  -2.276  13.824
  329   1HB   ASP  71          1HB       ASP  71  -1.511  -2.860  11.831
  330   2HB   ASP  71          2HB       ASP  71  -1.149  -1.295  11.115
  331    H    SER  72           H        SER  72   0.124   0.052  11.234
  332    HA   SER  72           HA       SER  72   1.437   2.147  12.467
  333   1HB   SER  72          1HB       SER  72   3.051   0.446  13.285
  334   2HB   SER  72          2HB       SER  72   3.379  -0.030  11.621
  335    HG   SER  72           HG       SER  72   4.912   1.408  11.849
  336    HA   PRO  73           HA       PRO  73   1.455   3.164   8.085
  337   1HB   PRO  73          1HB       PRO  73   2.520   5.757   8.815
  338   2HB   PRO  73          2HB       PRO  73   0.905   5.355   8.232
  339   1HG   PRO  73          1HG       PRO  73   1.426   6.219  10.773
  340   2HG   PRO  73          2HG       PRO  73   0.044   5.198  10.343
  341   1HD   PRO  73          1HD       PRO  73   2.660   4.425  11.575
  342   2HD   PRO  73          2HD       PRO  73   1.022   3.841  11.943
  343    H    GLU  74           H        GLU  74   3.364   1.560   8.209
  344    HA   GLU  74           HA       GLU  74   6.009   2.468   8.496
  345   1HB   GLU  74          1HB       GLU  74   5.271   0.074   8.487
  346   2HB   GLU  74          2HB       GLU  74   5.043   0.195   6.748
  347   1HG   GLU  74          1HG       GLU  74   7.417   0.682   6.468
  348   2HG   GLU  74          2HG       GLU  74   7.647   0.563   8.211
  349    H    PHE  75           H        PHE  75   4.196   1.783   5.509
  350    HA   PHE  75           HA       PHE  75   5.779   3.866   4.168
  351   1HB   PHE  75          1HB       PHE  75   5.528   2.521   2.066
  352   2HB   PHE  75          2HB       PHE  75   6.525   1.754   3.295
  353    HD1  PHE  75           HD1      PHE  75   5.762  -0.249   4.441
  354    HD2  PHE  75           HD2      PHE  75   3.381   1.614   1.448
  355    HE1  PHE  75           HE1      PHE  75   4.360  -2.268   4.309
  356    HE2  PHE  75           HE2      PHE  75   1.977  -0.399   1.308
  357    HZ   PHE  75           HZ       PHE  75   2.506  -2.368   2.713
  358    H    TYR  76           H        TYR  76   3.157   3.876   5.536
  359    HA   TYR  76           HA       TYR  76   1.308   4.384   3.324
  360   1HB   TYR  76          1HB       TYR  76   0.797   4.265   6.304
  361   2HB   TYR  76          2HB       TYR  76  -0.433   4.453   5.061
  362    HD1  TYR  76           HD1      TYR  76   1.901   2.121   6.660
  363    HD2  TYR  76           HD2      TYR  76  -1.147   2.560   3.721
  364    HE1  TYR  76           HE1      TYR  76   1.680  -0.322   6.536
  365    HE2  TYR  76           HE2      TYR  76  -1.375   0.111   3.588
  366    HH   TYR  76           HH       TYR  76   0.099  -1.988   5.885
  367    H    GLY  77           H        GLY  77   0.495   6.407   2.899
  368   1HA   GLY  77          1HA       GLY  77   1.821   8.599   4.347
  369   2HA   GLY  77          2HA       GLY  77   1.249   8.683   2.685
  370    H    LYS  78           H        LYS  78   0.304   8.660   6.050
  371    HA   LYS  78           HA       LYS  78  -1.516   9.447   7.167
  372   1HB   LYS  78          1HB       LYS  78  -2.110  11.033   4.663
  373   2HB   LYS  78          2HB       LYS  78  -2.630  11.400   6.300
  374   1HG   LYS  78          1HG       LYS  78   0.175  11.531   5.217
  375   2HG   LYS  78          2HG       LYS  78  -0.861  12.886   5.663
  376   1HD   LYS  78          1HD       LYS  78  -0.867  12.006   8.002
  377   2HD   LYS  78          2HD       LYS  78   0.325  10.808   7.494
  378   1HE   LYS  78          1HE       LYS  78   0.643  13.805   7.417
  379   2HE   LYS  78          2HE       LYS  78   1.423  12.696   8.541
  380   1HZ   LYS  78          1HZ       LYS  78   2.549  11.665   6.634
  381   2HZ   LYS  78          2HZ       LYS  78   2.939  13.307   6.805
  382   3HZ   LYS  78          3HZ       LYS  78   1.853  12.819   5.602
  383    H    PHE  79           H        PHE  79  -1.949   7.004   6.146
  384    HA   PHE  79           HA       PHE  79  -3.578   6.586   3.996
  385   1HB   PHE  79          1HB       PHE  79  -2.381   4.817   5.251
  386   2HB   PHE  79          2HB       PHE  79  -3.613   4.911   6.509
  387    HD1  PHE  79           HD1      PHE  79  -5.506   3.570   6.364
  388    HD2  PHE  79           HD2      PHE  79  -3.213   4.325   2.858
  389    HE1  PHE  79           HE1      PHE  79  -6.901   1.978   5.110
  390    HE2  PHE  79           HE2      PHE  79  -4.602   2.732   1.601
  391    HZ   PHE  79           HZ       PHE  79  -6.449   1.560   2.723
  392    H    LYS  80           H        LYS  80  -4.708   7.305   7.310
  393    HA   LYS  80           HA       LYS  80  -7.440   6.673   6.587
  394   1HB   LYS  80          1HB       LYS  80  -6.418   7.994   9.102
  395   2HB   LYS  80          2HB       LYS  80  -8.024   7.325   8.858
  396   1HG   LYS  80          1HG       LYS  80  -6.856   5.095   8.472
  397   2HG   LYS  80          2HG       LYS  80  -5.415   5.873   9.128
  398   1HD   LYS  80          1HD       LYS  80  -8.052   5.394  10.501
  399   2HD   LYS  80          2HD       LYS  80  -6.470   4.751  10.938
  400   1HE   LYS  80          1HE       LYS  80  -7.336   7.636  11.092
  401   2HE   LYS  80          2HE       LYS  80  -7.127   6.533  12.450
  402   1HZ   LYS  80          1HZ       LYS  80  -4.767   6.376  11.898
  403   2HZ   LYS  80          2HZ       LYS  80  -5.225   7.976  12.224
  404   3HZ   LYS  80          3HZ       LYS  80  -4.979   7.475  10.622
  405    H    GLU  81           H        GLU  81  -5.402   9.452   6.836
  406    HA   GLU  81           HA       GLU  81  -7.509  11.393   6.720
  407   1HB   GLU  81          1HB       GLU  81  -5.219  11.820   7.667
  408   2HB   GLU  81          2HB       GLU  81  -4.578  11.701   6.035
  409   1HG   GLU  81          1HG       GLU  81  -5.757  13.656   5.351
  410   2HG   GLU  81          2HG       GLU  81  -6.646  13.716   6.874
  411    H    GLY  82           H        GLY  82  -5.410   9.678   4.540
  412   1HA   GLY  82          1HA       GLY  82  -5.896  10.930   2.141
  413   2HA   GLY  82          2HA       GLY  82  -5.535   9.237   2.337
  414    H    VAL  83           H        VAL  83  -7.687   8.510   3.881
  415    HA   VAL  83           HA       VAL  83  -9.600   7.937   1.860
  416    HB   VAL  83           HB       VAL  83  -9.728   7.718   4.723
  417   1HG1  VAL  83          1HG1      VAL  83 -11.942   7.628   3.690
  418   2HG1  VAL  83          2HG1      VAL  83 -11.444   6.028   4.239
  419   3HG1  VAL  83          3HG1      VAL  83 -11.360   6.436   2.526
  420   1HG2  VAL  83          1HG2      VAL  83  -7.819   6.563   3.751
  421   2HG2  VAL  83          2HG2      VAL  83  -8.890   5.760   2.601
  422   3HG2  VAL  83          3HG2      VAL  83  -9.041   5.431   4.326
  423    H    ALA  84           H        ALA  84  -9.743   9.967   4.793
  424    HA   ALA  84           HA       ALA  84 -12.508  10.584   4.233
  425   1HB   ALA  84          1HB       ALA  84 -12.514  11.712   6.381
  426   2HB   ALA  84          2HB       ALA  84 -10.763  11.537   6.499
  427   3HB   ALA  84          3HB       ALA  84 -11.798  10.109   6.530
  428    H    SER  85           H        SER  85  -9.422  12.084   3.828
  429    HA   SER  85           HA       SER  85 -10.433  14.716   3.354
  430   1HB   SER  85          1HB       SER  85  -7.995  14.120   3.790
  431   2HB   SER  85          2HB       SER  85  -7.927  13.521   2.135
  432    HG   SER  85           HG       SER  85  -7.209  15.713   2.381
  433    H    GLY  86           H        GLY  86 -10.120  11.781   1.509
  434   1HA   GLY  86          1HA       GLY  86 -11.430  11.195  -0.324
  435   2HA   GLY  86          2HA       GLY  86 -11.948  12.869  -0.465
  436    H    ASN  87           H        ASN  87  -8.579  12.118  -0.211
  437    HA   ASN  87           HA       ASN  87  -8.145  12.172  -3.039
  438   1HB   ASN  87          1HB       ASN  87  -6.698  14.258  -2.950
  439   2HB   ASN  87          2HB       ASN  87  -8.434  14.526  -2.873
  440   1HD2  ASN  87          1HD2      ASN  87  -9.322  15.404  -1.072
  441   2HD2  ASN  87          2HD2      ASN  87  -8.400  16.001   0.267
  442    H    LEU  88           H        LEU  88  -7.449  10.218  -1.438
  443    HA   LEU  88           HA       LEU  88  -4.770  10.434  -0.513
  444   1HB   LEU  88          1HB       LEU  88  -6.737   8.634  -0.100
  445   2HB   LEU  88          2HB       LEU  88  -5.754   7.768  -1.269
  446    HG   LEU  88           HG       LEU  88  -4.742   8.986   1.249
  447   1HD1  LEU  88          1HD1      LEU  88  -6.267   7.168   1.785
  448   2HD1  LEU  88          2HD1      LEU  88  -4.607   6.657   2.097
  449   3HD1  LEU  88          3HD1      LEU  88  -5.437   6.109   0.642
  450   1HD2  LEU  88          1HD2      LEU  88  -3.030   8.771  -0.459
  451   2HD2  LEU  88          2HD2      LEU  88  -3.442   7.069  -0.676
  452   3HD2  LEU  88          3HD2      LEU  88  -2.740   7.621   0.846
  453    H    ASN  89           H        ASN  89  -4.025  11.477  -2.495
  454    HA   ASN  89           HA       ASN  89  -2.767   9.435  -4.146
  455   1HB   ASN  89          1HB       ASN  89  -4.636  10.075  -5.527
  456   2HB   ASN  89          2HB       ASN  89  -4.339  11.780  -5.234
  457   1HD2  ASN  89          1HD2      ASN  89  -2.658  12.815  -6.328
  458   2HD2  ASN  89          2HD2      ASN  89  -1.898  12.115  -7.714
  459    H    THR  90           H        THR  90  -0.772   9.762  -3.350
  460    HA   THR  90           HA       THR  90   0.389  12.433  -3.680
  461    HB   THR  90           HB       THR  90   0.662  10.744  -1.367
  462    HG1  THR  90           HG1      THR  90  -1.164  12.708  -2.114
  463   1HG2  THR  90          1HG2      THR  90   1.557  13.561  -1.941
  464   2HG2  THR  90          2HG2      THR  90   2.609  12.150  -1.829
  465   3HG2  THR  90          3HG2      THR  90   1.726  12.706  -0.406
  466    H    MET  91           H        MET  91   2.573  12.422  -4.161
  467    HA   MET  91           HA       MET  91   3.943   9.816  -4.100
  468   1HB   MET  91          1HB       MET  91   5.269  10.632  -6.095
  469   2HB   MET  91          2HB       MET  91   3.603  10.178  -6.407
  470   1HG   MET  91          1HG       MET  91   2.978  12.561  -6.351
  471   2HG   MET  91          2HG       MET  91   4.677  12.977  -6.123
  472   1HE   MET  91          1HE       MET  91   4.447  14.603  -8.285
  473   2HE   MET  91          2HE       MET  91   2.769  14.099  -8.468
  474   3HE   MET  91          3HE       MET  91   3.864  14.038  -9.850
  475    H    PHE  92           H        PHE  92   5.851   9.805  -3.114
  476    HA   PHE  92           HA       PHE  92   7.333  12.221  -2.598
  477   1HB   PHE  92          1HB       PHE  92   5.557  12.434  -0.921
  478   2HB   PHE  92          2HB       PHE  92   5.873  10.801  -0.352
  479    HD1  PHE  92           HD1      PHE  92   7.491  14.130  -0.723
  480    HD2  PHE  92           HD2      PHE  92   7.324  10.458   1.424
  481    HE1  PHE  92           HE1      PHE  92   9.077  15.028   0.931
  482    HE2  PHE  92           HE2      PHE  92   8.910  11.351   3.083
  483    HZ   PHE  92           HZ       PHE  92   9.788  13.638   2.837
  484    H    GLU  93           H        GLU  93   9.447  11.746  -2.019
  485    HA   GLU  93           HA       GLU  93  10.126   8.906  -1.996
  486   1HB   GLU  93          1HB       GLU  93  11.821  11.401  -2.242
  487   2HB   GLU  93          2HB       GLU  93  12.492   9.776  -2.137
  488   1HG   GLU  93          1HG       GLU  93  11.445   9.125  -4.171
  489   2HG   GLU  93          2HG       GLU  93  10.519  10.621  -4.242
  490    H    TYR  94           H        TYR  94  10.051   7.957  -0.110
  491    HA   TYR  94           HA       TYR  94  10.497   9.566   2.313
  492   1HB   TYR  94          1HB       TYR  94   8.196   8.741   1.991
  493   2HB   TYR  94          2HB       TYR  94   8.799   7.093   1.908
  494    HD1  TYR  94           HD1      TYR  94   8.595   5.817   3.815
  495    HD2  TYR  94           HD2      TYR  94   8.969  10.035   4.216
  496    HE1  TYR  94           HE1      TYR  94   8.380   5.596   6.254
  497    HE2  TYR  94           HE2      TYR  94   8.745   9.829   6.656
  498    HH   TYR  94           HH       TYR  94   7.961   8.351   8.319
  499    H    THR  95           H        THR  95  12.269   9.106   3.411
  500    HA   THR  95           HA       THR  95  13.561   6.519   3.099
  501    HB   THR  95           HB       THR  95  15.078   7.571   4.679
  502    HG1  THR  95           HG1      THR  95  13.842   9.364   5.247
  503   1HG2  THR  95          1HG2      THR  95  16.193   8.639   2.792
  504   2HG2  THR  95          2HG2      THR  95  14.705   8.535   1.851
  505   3HG2  THR  95          3HG2      THR  95  15.539   7.062   2.344
  506    H    PHE  96           H        PHE  96  14.083   5.190   4.831
  507    HA   PHE  96           HA       PHE  96  12.272   5.456   7.122
  508   1HB   PHE  96          1HB       PHE  96  13.815   3.101   6.024
  509   2HB   PHE  96          2HB       PHE  96  12.921   3.049   7.539
  510    HD1  PHE  96           HD1      PHE  96  10.587   2.706   7.562
  511    HD2  PHE  96           HD2      PHE  96  12.583   3.522   3.893
  512    HE1  PHE  96           HE1      PHE  96   8.543   2.118   6.322
  513    HE2  PHE  96           HE2      PHE  96  10.545   2.945   2.651
  514    HZ   PHE  96           HZ       PHE  96   8.506   2.221   3.898
  515    H    ASP  97           H        ASP  97  13.167   4.669   9.234
  516    HA   ASP  97           HA       ASP  97  15.568   6.154   9.805
  517   1HB   ASP  97          1HB       ASP  97  13.676   4.580  11.556
  518   2HB   ASP  97          2HB       ASP  97  15.110   5.388  12.178
  519    H    TYR  98           H        TYR  98  16.617   4.531   8.217
  520    HA   TYR  98           HA       TYR  98  18.013   2.546   9.874
  521   1HB   TYR  98          1HB       TYR  98  17.109   2.231   7.006
  522   2HB   TYR  98          2HB       TYR  98  18.260   1.155   7.791
  523    HD1  TYR  98           HD1      TYR  98  17.499  -0.246   9.721
  524    HD2  TYR  98           HD2      TYR  98  14.784   2.002   7.342
  525    HE1  TYR  98           HE1      TYR  98  15.635  -1.610  10.573
  526    HE2  TYR  98           HE2      TYR  98  12.914   0.650   8.185
  527    HH   TYR  98           HH       TYR  98  13.196  -1.451  10.853
  528    H    GLN  99           H        GLN  99  20.107   2.980   9.999
  529    HA   GLN  99           HA       GLN  99  21.280   4.761   7.990
  530   1HB   GLN  99          1HB       GLN  99  21.452   5.388  10.375
  531   2HB   GLN  99          2HB       GLN  99  22.358   3.910  10.677
  532   1HG   GLN  99          1HG       GLN  99  24.127   4.686   9.190
  533   2HG   GLN  99          2HG       GLN  99  23.216   6.163   8.871
  534   1HE2  GLN  99          1HE2      GLN  99  25.861   5.821  10.017
  535   2HE2  GLN  99          2HE2      GLN  99  25.812   6.572  11.577
  536    H    MET 100           H        MET 100  21.536   1.555   9.330
  537    HA   MET 100           HA       MET 100  24.051   0.802   8.345
  538   1HB   MET 100          1HB       MET 100  21.630  -0.994   8.636
  539   2HB   MET 100          2HB       MET 100  23.314  -1.493   8.617
  540   1HG   MET 100          1HG       MET 100  22.652  -1.571  10.859
  541   2HG   MET 100          2HG       MET 100  23.614  -0.104  10.703
  542   1HE   MET 100          1HE       MET 100  19.015  -0.220  11.077
  543   2HE   MET 100          2HE       MET 100  20.061  -1.638  11.153
  544   3HE   MET 100          3HE       MET 100  19.855  -0.774   9.630
  545    H    THR 101           H        THR 101  20.861   0.087   6.967
  546    HA   THR 101           HA       THR 101  22.086   0.183   4.298
  547    HB   THR 101           HB       THR 101  19.535  -0.905   5.067
  548    HG1  THR 101           HG1      THR 101  20.572  -2.732   5.522
  549   1HG2  THR 101          1HG2      THR 101  19.766  -2.071   2.950
  550   2HG2  THR 101          2HG2      THR 101  21.310  -1.270   2.661
  551   3HG2  THR 101          3HG2      THR 101  19.821  -0.324   2.705
  552    HA   PRO 102           HA       PRO 102  19.644   3.912   3.859
  553   1HB   PRO 102          1HB       PRO 102  20.106   3.651   0.977
  554   2HB   PRO 102          2HB       PRO 102  20.632   4.922   2.083
  555   1HG   PRO 102          1HG       PRO 102  22.354   3.150   0.994
  556   2HG   PRO 102          2HG       PRO 102  22.590   3.836   2.611
  557   1HD   PRO 102          1HD       PRO 102  21.532   1.147   1.827
  558   2HD   PRO 102          2HD       PRO 102  22.628   1.584   3.157
  559    H    THR 103           H        THR 103  17.686   2.737   4.420
  560    HA   THR 103           HA       THR 103  16.188   1.504   2.288
  561    HB   THR 103           HB       THR 103  15.249   2.423   4.840
  562    HG1  THR 103           HG1      THR 103  15.898  -0.111   4.928
  563   1HG2  THR 103          1HG2      THR 103  13.573   1.684   3.222
  564   2HG2  THR 103          2HG2      THR 103  13.744   0.524   4.540
  565   3HG2  THR 103          3HG2      THR 103  14.474   0.191   2.968
  566    H    LYS 104           H        LYS 104  15.856   3.008   0.755
  567    HA   LYS 104           HA       LYS 104  14.171   5.316   1.457
  568   1HB   LYS 104          1HB       LYS 104  16.333   6.099   0.699
  569   2HB   LYS 104          2HB       LYS 104  16.281   5.029  -0.693
  570   1HG   LYS 104          1HG       LYS 104  14.147   6.364  -1.323
  571   2HG   LYS 104          2HG       LYS 104  14.791   7.573  -0.212
  572   1HD   LYS 104          1HD       LYS 104  16.825   7.735  -1.482
  573   2HD   LYS 104          2HD       LYS 104  16.333   6.393  -2.518
  574   1HE   LYS 104          1HE       LYS 104  15.892   8.328  -3.772
  575   2HE   LYS 104          2HE       LYS 104  14.326   7.815  -3.149
  576   1HZ   LYS 104          1HZ       LYS 104  14.587  10.183  -2.920
  577   2HZ   LYS 104          2HZ       LYS 104  16.026   9.987  -2.044
  578   3HZ   LYS 104          3HZ       LYS 104  14.553   9.477  -1.377
  579    H    VAL 105           H        VAL 105  12.182   5.214   0.586
  580    HA   VAL 105           HA       VAL 105  11.916   3.790  -1.956
  581    HB   VAL 105           HB       VAL 105   9.716   3.403  -1.450
  582   1HG1  VAL 105          1HG1      VAL 105  10.195   1.515   0.025
  583   2HG1  VAL 105          2HG1      VAL 105  11.750   2.235   0.444
  584   3HG1  VAL 105          3HG1      VAL 105  11.444   1.697  -1.207
  585   1HG2  VAL 105          1HG2      VAL 105   9.314   5.086   0.238
  586   2HG2  VAL 105          2HG2      VAL 105  10.476   4.312   1.315
  587   3HG2  VAL 105          3HG2      VAL 105   8.984   3.477   0.879
  588    H    LYS 106           H        LYS 106  10.265   4.547  -3.338
  589    HA   LYS 106           HA       LYS 106   9.404   7.299  -2.791
  590   1HB   LYS 106          1HB       LYS 106  10.949   7.141  -4.730
  591   2HB   LYS 106          2HB       LYS 106   9.833   6.016  -5.496
  592   1HG   LYS 106          1HG       LYS 106   8.200   7.668  -5.801
  593   2HG   LYS 106          2HG       LYS 106   8.988   8.767  -4.668
  594   1HD   LYS 106          1HD       LYS 106  10.930   8.856  -6.255
  595   2HD   LYS 106          2HD       LYS 106   9.933   7.970  -7.413
  596   1HE   LYS 106          1HE       LYS 106   8.377   9.731  -7.579
  597   2HE   LYS 106          2HE       LYS 106   9.005  10.529  -6.137
  598   1HZ   LYS 106          1HZ       LYS 106  10.384  10.273  -8.757
  599   2HZ   LYS 106          2HZ       LYS 106  11.073  10.953  -7.363
  600   3HZ   LYS 106          3HZ       LYS 106   9.733  11.693  -8.091
  601    H    VAL 107           H        VAL 107   7.313   7.465  -2.422
  602    HA   VAL 107           HA       VAL 107   5.672   5.156  -3.176
  603    HB   VAL 107           HB       VAL 107   4.030   6.141  -1.796
  604   1HG1  VAL 107          1HG1      VAL 107   5.395   4.200  -1.203
  605   2HG1  VAL 107          2HG1      VAL 107   5.139   5.231   0.205
  606   3HG1  VAL 107          3HG1      VAL 107   6.686   5.261  -0.639
  607   1HG2  VAL 107          1HG2      VAL 107   4.963   8.407  -1.681
  608   2HG2  VAL 107          2HG2      VAL 107   6.358   7.775  -0.805
  609   3HG2  VAL 107          3HG2      VAL 107   4.750   7.675  -0.091
  610    H    HIS 108           H        HIS 108   3.930   5.281  -4.390
  611    HA   HIS 108           HA       HIS 108   2.731   7.917  -4.778
  612   1HB   HIS 108          1HB       HIS 108   4.001   7.317  -6.859
  613   2HB   HIS 108          2HB       HIS 108   2.998   5.876  -7.007
  614    HD1  HIS 108           HD1      HIS 108   1.391   6.295  -8.863
  615    HD2  HIS 108           HD2      HIS 108   1.918   9.652  -6.462
  616    HE1  HIS 108           HE1      HIS 108  -0.208   8.022  -9.743
  617    HE2  HIS 108           HE2      HIS 108   0.335  10.116  -8.458
  618    H    MET 109           H        MET 109   1.057   7.622  -3.525
  619    HA   MET 109           HA       MET 109  -0.571   5.202  -3.834
  620   1HB   MET 109          1HB       MET 109  -0.857   7.479  -1.848
  621   2HB   MET 109          2HB       MET 109  -1.811   6.005  -1.868
  622   1HG   MET 109          1HG       MET 109  -0.263   5.683  -0.165
  623   2HG   MET 109          2HG       MET 109   0.387   4.771  -1.525
  624   1HE   MET 109          1HE       MET 109   0.675   8.023   0.648
  625   2HE   MET 109          2HE       MET 109   0.436   8.686  -0.971
  626   3HE   MET 109          3HE       MET 109   1.989   8.881  -0.159
  627    H    LYS 110           H        LYS 110  -2.660   5.361  -4.661
  628    HA   LYS 110           HA       LYS 110  -3.484   8.032  -5.469
  629   1HB   LYS 110          1HB       LYS 110  -4.062   7.083  -7.777
  630   2HB   LYS 110          2HB       LYS 110  -2.376   7.469  -7.455
  631   1HG   LYS 110          1HG       LYS 110  -1.720   5.316  -7.561
  632   2HG   LYS 110          2HG       LYS 110  -3.221   4.708  -6.862
  633   1HD   LYS 110          1HD       LYS 110  -2.952   4.019  -9.199
  634   2HD   LYS 110          2HD       LYS 110  -4.369   5.042  -8.973
  635   1HE   LYS 110          1HE       LYS 110  -3.090   6.967  -9.803
  636   2HE   LYS 110          2HE       LYS 110  -1.694   5.920 -10.054
  637   1HZ   LYS 110          1HZ       LYS 110  -2.896   4.679 -11.687
  638   2HZ   LYS 110          2HZ       LYS 110  -3.026   6.327 -12.085
  639   3HZ   LYS 110          3HZ       LYS 110  -4.330   5.521 -11.362
  640    H    LYS 111           H        LYS 111  -5.497   8.291  -4.863
  641    HA   LYS 111           HA       LYS 111  -7.274   6.344  -4.169
  642   1HB   LYS 111          1HB       LYS 111  -7.560   8.645  -3.642
  643   2HB   LYS 111          2HB       LYS 111  -7.637   9.084  -5.338
  644   1HG   LYS 111          1HG       LYS 111  -9.752   7.895  -5.575
  645   2HG   LYS 111          2HG       LYS 111  -9.674   7.410  -3.878
  646   1HD   LYS 111          1HD       LYS 111  -9.843   9.685  -3.162
  647   2HD   LYS 111          2HD       LYS 111  -9.709  10.269  -4.823
  648   1HE   LYS 111          1HE       LYS 111 -11.833   9.294  -5.387
  649   2HE   LYS 111          2HE       LYS 111 -11.930   8.487  -3.824
  650   1HZ   LYS 111          1HZ       LYS 111 -13.317  10.463  -3.907
  651   2HZ   LYS 111          2HZ       LYS 111 -11.968  11.429  -4.244
  652   3HZ   LYS 111          3HZ       LYS 111 -12.094  10.637  -2.751
  653    H    ALA 112           H        ALA 112  -7.818   4.688  -5.383
  654    HA   ALA 112           HA       ALA 112  -7.322   4.390  -8.069
  655   1HB   ALA 112          1HB       ALA 112  -9.429   2.973  -6.441
  656   2HB   ALA 112          2HB       ALA 112  -7.727   2.522  -6.550
  657   3HB   ALA 112          3HB       ALA 112  -8.759   2.421  -7.977
  658    H    LEU 113           H        LEU 113  -8.306   5.110  -9.863
  659    HA   LEU 113           HA       LEU 113 -10.618   6.752  -9.707
  660   1HB   LEU 113          1HB       LEU 113  -9.079   5.599 -12.024
  661   2HB   LEU 113          2HB       LEU 113 -10.545   6.530 -12.265
  662    HG   LEU 113           HG       LEU 113  -8.698   7.999 -12.601
  663   1HD1  LEU 113          1HD1      LEU 113 -10.608   8.927 -11.379
  664   2HD1  LEU 113          2HD1      LEU 113  -9.092   9.718 -10.949
  665   3HD1  LEU 113          3HD1      LEU 113  -9.812   8.537  -9.854
  666   1HD2  LEU 113          1HD2      LEU 113  -6.989   6.691 -11.423
  667   2HD2  LEU 113          2HD2      LEU 113  -7.674   7.200  -9.879
  668   3HD2  LEU 113          3HD2      LEU 113  -6.955   8.392 -10.963
  669    H    SER 114           H        SER 114 -10.196   3.460  -9.690
  670    HA   SER 114           HA       SER 114 -12.645   2.608 -10.844
  671   1HB   SER 114          1HB       SER 114 -11.085   1.270  -8.621
  672   2HB   SER 114          2HB       SER 114 -12.185   0.504  -9.769
  673    HG   SER 114           HG       SER 114 -10.691   0.562 -11.291
  674    H    GLY 115           H        GLY 115 -11.716   4.010  -7.802
  675   1HA   GLY 115          1HA       GLY 115 -13.265   5.167  -6.439
  676   2HA   GLY 115          2HA       GLY 115 -14.543   4.130  -7.052
  677    H    ASP 116           H        ASP 116 -13.588   4.874  -4.296
  678    HA   ASP 116           HA       ASP 116 -13.559   3.926  -2.244
  679   1HB   ASP 116          1HB       ASP 116 -14.932   1.696  -3.752
  680   2HB   ASP 116          2HB       ASP 116 -14.853   1.802  -1.996
  681    H    SER 117           H        SER 117 -11.215   3.664  -3.640
  682    HA   SER 117           HA       SER 117  -9.879   1.652  -2.150
  683   1HB   SER 117          1HB       SER 117  -8.950   0.523  -4.267
  684   2HB   SER 117          2HB       SER 117 -10.557   0.068  -3.715
  685    HG   SER 117           HG       SER 117 -11.456   1.360  -5.302
  686    H    TYR 118           H        TYR 118  -7.550   1.720  -2.513
  687    HA   TYR 118           HA       TYR 118  -6.574   4.060  -4.008
  688   1HB   TYR 118          1HB       TYR 118  -5.737   3.544  -1.141
  689   2HB   TYR 118          2HB       TYR 118  -5.322   4.927  -2.153
  690    HD1  TYR 118           HD1      TYR 118  -7.731   3.487   0.086
  691    HD2  TYR 118           HD2      TYR 118  -7.043   6.595  -2.708
  692    HE1  TYR 118           HE1      TYR 118  -9.647   4.729   1.018
  693    HE2  TYR 118           HE2      TYR 118  -8.959   7.854  -1.801
  694    HH   TYR 118           HH       TYR 118 -10.966   7.491  -0.534
  695    H    TRP 119           H        TRP 119  -4.519   3.764  -4.891
  696    HA   TRP 119           HA       TRP 119  -3.471   1.060  -4.643
  697   1HB   TRP 119          1HB       TRP 119  -2.768   3.360  -6.458
  698   2HB   TRP 119          2HB       TRP 119  -1.989   1.770  -6.519
  699    HD1  TRP 119           HD1      TRP 119  -5.594   3.225  -6.902
  700    HE1  TRP 119           HE1      TRP 119  -6.757   1.880  -8.786
  701    HE3  TRP 119           HE3      TRP 119  -1.865  -0.096  -7.949
  702    HZ2  TRP 119           HZ2      TRP 119  -6.146  -0.304 -10.477
  703    HZ3  TRP 119           HZ3      TRP 119  -2.213  -1.765  -9.683
  704    HH2  TRP 119           HH2      TRP 119  -4.312  -1.877 -10.943
  705    H    VAL 120           H        VAL 120  -1.184   0.770  -4.512
  706    HA   VAL 120           HA       VAL 120   0.328   2.875  -3.120
  707    HB   VAL 120           HB       VAL 120   0.189   0.079  -2.444
  708   1HG1  VAL 120          1HG1      VAL 120   1.743   2.375  -1.241
  709   2HG1  VAL 120          2HG1      VAL 120   2.431   1.046  -2.174
  710   3HG1  VAL 120          3HG1      VAL 120   1.674   0.728  -0.613
  711   1HG2  VAL 120          1HG2      VAL 120  -0.813   2.530  -1.019
  712   2HG2  VAL 120          2HG2      VAL 120  -0.756   0.903  -0.344
  713   3HG2  VAL 120          3HG2      VAL 120  -1.797   1.248  -1.726
  714    H    PHE 121           H        PHE 121   1.835   3.276  -4.675
  715    HA   PHE 121           HA       PHE 121   3.305   0.964  -5.780
  716   1HB   PHE 121          1HB       PHE 121   3.194   3.816  -6.766
  717   2HB   PHE 121          2HB       PHE 121   4.143   2.533  -7.490
  718    HD1  PHE 121           HD1      PHE 121   0.647   3.460  -6.654
  719    HD2  PHE 121           HD2      PHE 121   3.237   1.256  -9.208
  720    HE1  PHE 121           HE1      PHE 121  -1.269   2.857  -8.076
  721    HE2  PHE 121           HE2      PHE 121   1.327   0.654 -10.631
  722    HZ   PHE 121           HZ       PHE 121  -0.889   1.492 -10.134
  723    H    VAL 122           H        VAL 122   5.257   0.592  -4.909
  724    HA   VAL 122           HA       VAL 122   6.717   2.895  -3.791
  725    HB   VAL 122           HB       VAL 122   7.854   1.418  -2.459
  726   1HG1  VAL 122          1HG1      VAL 122   4.854   1.483  -2.178
  727   2HG1  VAL 122          2HG1      VAL 122   5.984   2.717  -1.624
  728   3HG1  VAL 122          3HG1      VAL 122   5.995   1.117  -0.883
  729   1HG2  VAL 122          1HG2      VAL 122   6.926  -0.803  -2.051
  730   2HG2  VAL 122          2HG2      VAL 122   7.565  -0.646  -3.685
  731   3HG2  VAL 122          3HG2      VAL 122   5.824  -0.585  -3.412
  732    H    LYS 123           H        LYS 123   9.003   2.814  -3.885
  733    HA   LYS 123           HA       LYS 123  10.259   0.938  -5.697
  734   1HB   LYS 123          1HB       LYS 123   9.401   2.678  -7.209
  735   2HB   LYS 123          2HB       LYS 123  10.207   3.911  -6.252
  736   1HG   LYS 123          1HG       LYS 123  12.375   2.682  -6.800
  737   2HG   LYS 123          2HG       LYS 123  11.431   1.831  -8.028
  738   1HD   LYS 123          1HD       LYS 123  10.779   4.021  -8.979
  739   2HD   LYS 123          2HD       LYS 123  11.819   4.815  -7.797
  740   1HE   LYS 123          1HE       LYS 123  12.666   2.923  -9.985
  741   2HE   LYS 123          2HE       LYS 123  12.975   4.655  -9.903
  742   1HZ   LYS 123          1HZ       LYS 123  14.267   4.174  -7.816
  743   2HZ   LYS 123          2HZ       LYS 123  14.943   3.569  -9.246
  744   3HZ   LYS 123          3HZ       LYS 123  14.128   2.523  -8.193
  745    H    ARG 124           H        ARG 124  12.038   0.334  -4.568
  746    HA   ARG 124           HA       ARG 124  13.191   2.079  -2.598
  747   1HB   ARG 124          1HB       ARG 124  14.084  -0.615  -3.632
  748   2HB   ARG 124          2HB       ARG 124  14.920   0.269  -2.365
  749   1HG   ARG 124          1HG       ARG 124  12.647   0.270  -1.161
  750   2HG   ARG 124          2HG       ARG 124  12.222  -1.012  -2.298
  751   1HD   ARG 124          1HD       ARG 124  13.059  -2.009  -0.272
  752   2HD   ARG 124          2HD       ARG 124  14.226  -2.266  -1.568
  753    HE   ARG 124           HE       ARG 124  14.958   0.067  -0.239
  754   1HH1  ARG 124          1HH1      ARG 124  14.763  -3.370   0.394
  755   2HH1  ARG 124          2HH1      ARG 124  15.988  -3.334   1.631
  756   1HH2  ARG 124          1HH2      ARG 124  16.606   0.097   1.380
  757   2HH2  ARG 124          2HH2      ARG 124  17.034  -1.383   2.178
  758    H    VAL 125           H        VAL 125  14.687   3.506  -2.863
  759    HA   VAL 125           HA       VAL 125  15.838   5.051  -4.090
  760    HB   VAL 125           HB       VAL 125  17.273   3.976  -2.823
  761   1HG1  VAL 125          1HG1      VAL 125  18.702   2.161  -3.628
  762   2HG1  VAL 125          2HG1      VAL 125  17.707   2.033  -5.080
  763   3HG1  VAL 125          3HG1      VAL 125  17.011   1.672  -3.500
  764   1HG2  VAL 125          1HG2      VAL 125  18.104   5.718  -4.231
  765   2HG2  VAL 125          2HG2      VAL 125  18.366   4.574  -5.549
  766   3HG2  VAL 125          3HG2      VAL 125  19.318   4.449  -4.070
  767    H2   HC4 169           H2       HC4 169  -9.464   4.389  13.900
  768    H3   HC4 169           H3       HC4 169 -10.746   6.129  13.887
  769    H2'  HC4 169           H2'      HC4 169 -11.600   8.312  14.449
  770    H3'  HC4 169           H3'      HC4 169 -11.416  10.541  15.459
  771    H5'  HC4 169           H5'      HC4 169  -7.754   9.379  17.299
  772    H6'  HC4 169           H6'      HC4 169  -7.905   7.191  16.210
  773   'HO4  HC4 169          'HO4      HC4 169 -10.352  11.562  17.411
  Start of MODEL    7
    1    H    LEU  26           H        LEU  26   9.289  -5.769 -15.111
    2    HA   LEU  26           HA       LEU  26   7.439  -4.224 -15.180
    3   1HB   LEU  26          1HB       LEU  26   6.002  -6.578 -16.417
    4   2HB   LEU  26          2HB       LEU  26   5.224  -5.116 -15.842
    5    HG   LEU  26           HG       LEU  26   7.166  -5.318 -18.146
    6   1HD1  LEU  26          1HD1      LEU  26   4.220  -4.693 -18.066
    7   2HD1  LEU  26          2HD1      LEU  26   4.941  -6.201 -18.625
    8   3HD1  LEU  26          3HD1      LEU  26   5.242  -4.701 -19.503
    9   1HD2  LEU  26          1HD2      LEU  26   5.719  -2.917 -17.032
   10   2HD2  LEU  26          2HD2      LEU  26   6.667  -2.948 -18.518
   11   3HD2  LEU  26          3HD2      LEU  26   7.456  -3.209 -16.962
   12    H    ALA  27           H        ALA  27   5.664  -4.370 -13.592
   13    HA   ALA  27           HA       ALA  27   4.920  -4.877 -11.521
   14   1HB   ALA  27          1HB       ALA  27   4.880  -7.192 -10.744
   15   2HB   ALA  27          2HB       ALA  27   5.936  -7.662 -12.075
   16   3HB   ALA  27          3HB       ALA  27   4.313  -7.060 -12.410
   17    H    PHE  28           H        PHE  28   5.649  -4.805  -9.420
   18    HA   PHE  28           HA       PHE  28   8.254  -5.530  -8.587
   19   1HB   PHE  28          1HB       PHE  28   8.900  -3.619 -10.025
   20   2HB   PHE  28          2HB       PHE  28   7.822  -2.572  -9.111
   21    HD1  PHE  28           HD1      PHE  28  10.946  -4.513  -8.974
   22    HD2  PHE  28           HD2      PHE  28   8.461  -1.675  -7.010
   23    HE1  PHE  28           HE1      PHE  28  12.774  -4.005  -7.407
   24    HE2  PHE  28           HE2      PHE  28  10.283  -1.161  -5.441
   25    HZ   PHE  28           HZ       PHE  28  12.446  -2.330  -5.641
   26    H    GLY  29           H        GLY  29   6.215  -2.692  -7.958
   27   1HA   GLY  29          1HA       GLY  29   5.275  -3.851  -5.458
   28   2HA   GLY  29          2HA       GLY  29   6.265  -2.401  -5.325
   29    H    ALA  30           H        ALA  30   3.606  -3.486  -7.418
   30    HA   ALA  30           HA       ALA  30   2.273  -0.913  -6.863
   31   1HB   ALA  30          1HB       ALA  30   2.256  -2.518  -9.424
   32   2HB   ALA  30          2HB       ALA  30   3.074  -0.977  -9.159
   33   3HB   ALA  30          3HB       ALA  30   1.312  -1.060  -9.130
   34    H    ILE  31           H        ILE  31   0.656  -1.371  -5.499
   35    HA   ILE  31           HA       ILE  31  -1.089  -3.626  -6.179
   36    HB   ILE  31           HB       ILE  31   0.178  -4.352  -4.615
   37   1HG1  ILE  31          1HG1      ILE  31  -2.373  -4.520  -4.416
   38   2HG1  ILE  31          2HG1      ILE  31  -1.324  -5.198  -3.197
   39   1HG2  ILE  31          1HG2      ILE  31   0.490  -3.268  -2.420
   40   2HG2  ILE  31          2HG2      ILE  31  -0.353  -1.848  -3.043
   41   3HG2  ILE  31          3HG2      ILE  31   1.183  -2.347  -3.753
   42   1HD1  ILE  31          1HD1      ILE  31  -2.772  -2.566  -3.003
   43   2HD1  ILE  31          2HD1      ILE  31  -1.700  -3.246  -1.779
   44   3HD1  ILE  31          3HD1      ILE  31  -3.209  -4.064  -2.182
   45    H    GLN  32           H        GLN  32  -3.216  -3.311  -5.965
   46    HA   GLN  32           HA       GLN  32  -4.051  -0.632  -5.122
   47   1HB   GLN  32          1HB       GLN  32  -6.132  -1.051  -6.415
   48   2HB   GLN  32          2HB       GLN  32  -4.673  -1.024  -7.387
   49   1HG   GLN  32          1HG       GLN  32  -4.719  -3.335  -7.726
   50   2HG   GLN  32          2HG       GLN  32  -5.914  -3.587  -6.451
   51   1HE2  GLN  32          1HE2      GLN  32  -8.068  -3.023  -6.852
   52   2HE2  GLN  32          2HE2      GLN  32  -8.681  -2.823  -8.459
   53    H    LEU  33           H        LEU  33  -4.800  -0.494  -3.212
   54    HA   LEU  33           HA       LEU  33  -6.489  -2.678  -2.134
   55   1HB   LEU  33          1HB       LEU  33  -5.687  -2.012   0.118
   56   2HB   LEU  33          2HB       LEU  33  -4.457  -2.729  -0.897
   57    HG   LEU  33           HG       LEU  33  -3.746  -0.292  -1.407
   58   1HD1  LEU  33          1HD1      LEU  33  -4.189   1.305   0.368
   59   2HD1  LEU  33          2HD1      LEU  33  -5.259   0.149   1.162
   60   3HD1  LEU  33          3HD1      LEU  33  -5.691   0.812  -0.414
   61   1HD2  LEU  33          1HD2      LEU  33  -2.428  -1.896  -0.120
   62   2HD2  LEU  33          2HD2      LEU  33  -3.332  -1.475   1.335
   63   3HD2  LEU  33          3HD2      LEU  33  -2.304  -0.272   0.556
   64    H    ASP  34           H        ASP  34  -7.986  -1.865  -0.422
   65    HA   ASP  34           HA       ASP  34  -8.935   0.804  -1.238
   66   1HB   ASP  34          1HB       ASP  34 -11.071   0.229  -0.100
   67   2HB   ASP  34          2HB       ASP  34 -10.683  -0.812  -1.462
   68    H    GLY  35           H        GLY  35  -9.708   2.272   0.346
   69   1HA   GLY  35          1HA       GLY  35  -7.897   2.497   2.569
   70   2HA   GLY  35          2HA       GLY  35  -9.171   3.632   2.141
   71    H    ASP  36           H        ASP  36 -10.190   0.432   2.316
   72    HA   ASP  36           HA       ASP  36 -11.531   0.940   4.864
   73   1HB   ASP  36          1HB       ASP  36 -12.097  -0.926   2.555
   74   2HB   ASP  36          2HB       ASP  36 -12.957  -1.036   4.098
   75    H    GLY  37           H        GLY  37  -8.998  -0.794   3.441
   76   1HA   GLY  37          1HA       GLY  37  -7.361  -1.691   5.000
   77   2HA   GLY  37          2HA       GLY  37  -8.698  -2.322   5.948
   78    H    ASN  38           H        ASN  38  -9.246  -2.710   2.637
   79    HA   ASN  38           HA       ASN  38  -8.432  -5.540   2.873
   80   1HB   ASN  38          1HB       ASN  38 -10.659  -4.224   1.320
   81   2HB   ASN  38          2HB       ASN  38 -10.125  -5.864   0.986
   82   1HD2  ASN  38          1HD2      ASN  38 -10.191  -4.549   4.220
   83   2HD2  ASN  38          2HD2      ASN  38 -11.518  -5.506   4.785
   84    H    ILE  39           H        ILE  39  -7.277  -6.515   1.251
   85    HA   ILE  39           HA       ILE  39  -6.003  -4.735  -0.686
   86    HB   ILE  39           HB       ILE  39  -5.632  -7.515  -0.040
   87   1HG1  ILE  39          1HG1      ILE  39  -5.149  -6.103   1.867
   88   2HG1  ILE  39          2HG1      ILE  39  -3.666  -6.741   1.175
   89   1HG2  ILE  39          1HG2      ILE  39  -3.523  -7.250  -1.245
   90   2HG2  ILE  39          2HG2      ILE  39  -3.958  -5.589  -1.651
   91   3HG2  ILE  39          3HG2      ILE  39  -4.899  -6.930  -2.303
   92   1HD1  ILE  39          1HD1      ILE  39  -4.743  -3.964   0.760
   93   2HD1  ILE  39          2HD1      ILE  39  -3.240  -4.605   0.094
   94   3HD1  ILE  39          3HD1      ILE  39  -3.423  -4.415   1.838
   95    H    LEU  40           H        LEU  40  -6.538  -4.793  -2.825
   96    HA   LEU  40           HA       LEU  40  -8.724  -6.620  -3.507
   97   1HB   LEU  40          1HB       LEU  40  -9.002  -4.110  -3.644
   98   2HB   LEU  40          2HB       LEU  40  -7.886  -4.139  -4.995
   99    HG   LEU  40           HG       LEU  40  -9.430  -5.505  -6.289
  100   1HD1  LEU  40          1HD1      LEU  40 -11.658  -6.035  -5.436
  101   2HD1  LEU  40          2HD1      LEU  40 -11.224  -5.351  -3.868
  102   3HD1  LEU  40          3HD1      LEU  40 -10.400  -6.794  -4.459
  103   1HD2  LEU  40          1HD2      LEU  40 -10.796  -3.131  -5.023
  104   2HD2  LEU  40          2HD2      LEU  40 -11.229  -3.875  -6.562
  105   3HD2  LEU  40          3HD2      LEU  40  -9.669  -3.073  -6.377
  106    H    GLN  41           H        GLN  41  -5.738  -5.269  -4.940
  107    HA   GLN  41           HA       GLN  41  -5.193  -7.830  -6.171
  108   1HB   GLN  41          1HB       GLN  41  -6.772  -6.715  -7.768
  109   2HB   GLN  41          2HB       GLN  41  -5.576  -5.444  -7.983
  110   1HG   GLN  41          1HG       GLN  41  -3.970  -7.156  -8.768
  111   2HG   GLN  41          2HG       GLN  41  -5.258  -8.354  -8.666
  112   1HE2  GLN  41          1HE2      GLN  41  -6.979  -8.247 -10.126
  113   2HE2  GLN  41          2HE2      GLN  41  -6.870  -7.349 -11.602
  114    H    TYR  42           H        TYR  42  -3.073  -8.109  -6.723
  115    HA   TYR  42           HA       TYR  42  -1.263  -5.824  -6.262
  116   1HB   TYR  42          1HB       TYR  42  -1.218  -7.371  -4.345
  117   2HB   TYR  42          2HB       TYR  42  -0.882  -8.714  -5.426
  118    HD1  TYR  42           HD1      TYR  42   1.340  -9.143  -6.202
  119    HD2  TYR  42           HD2      TYR  42   0.523  -5.647  -3.920
  120    HE1  TYR  42           HE1      TYR  42   3.755  -8.759  -5.941
  121    HE2  TYR  42           HE2      TYR  42   2.935  -5.255  -3.648
  122    HH   TYR  42           HH       TYR  42   5.043  -6.544  -3.720
  123    H    ASN  43           H        ASN  43   0.222  -5.497  -7.857
  124    HA   ASN  43           HA       ASN  43   0.269  -7.278 -10.133
  125   1HB   ASN  43          1HB       ASN  43   1.810  -4.756  -9.487
  126   2HB   ASN  43          2HB       ASN  43   2.069  -5.684 -10.960
  127   1HD2  ASN  43          1HD2      ASN  43  -0.151  -3.673  -9.187
  128   2HD2  ASN  43          2HD2      ASN  43  -1.192  -3.306 -10.521
  129    H    ALA  44           H        ALA  44   1.100  -9.199  -9.487
  130    HA   ALA  44           HA       ALA  44   3.480  -9.307  -7.845
  131   1HB   ALA  44          1HB       ALA  44   1.832 -11.538  -9.031
  132   2HB   ALA  44          2HB       ALA  44   1.625 -10.846  -7.421
  133   3HB   ALA  44          3HB       ALA  44   3.106 -11.716  -7.826
  134    H    ALA  45           H        ALA  45   2.533 -10.581 -11.037
  135    HA   ALA  45           HA       ALA  45   5.241 -10.203 -11.995
  136   1HB   ALA  45          1HB       ALA  45   3.989 -12.947 -11.979
  137   2HB   ALA  45          2HB       ALA  45   5.315 -12.421 -10.943
  138   3HB   ALA  45          3HB       ALA  45   5.542 -12.510 -12.690
  139    H    GLU  46           H        GLU  46   5.400 -10.154 -14.230
  140    HA   GLU  46           HA       GLU  46   2.906 -10.527 -15.738
  141   1HB   GLU  46          1HB       GLU  46   3.328  -8.102 -15.310
  142   2HB   GLU  46          2HB       GLU  46   4.863  -8.260 -16.153
  143   1HG   GLU  46          1HG       GLU  46   3.116  -7.292 -17.566
  144   2HG   GLU  46          2HG       GLU  46   3.722  -8.820 -18.205
  145    H    GLY  47           H        GLY  47   3.597 -12.494 -16.521
  146   1HA   GLY  47          1HA       GLY  47   4.574 -13.837 -18.125
  147   2HA   GLY  47          2HA       GLY  47   5.438 -12.428 -18.720
  148    H    ASP  48           H        ASP  48   6.919 -11.665 -16.580
  149    HA   ASP  48           HA       ASP  48   9.015 -13.621 -16.586
  150   1HB   ASP  48          1HB       ASP  48   9.485 -11.200 -16.667
  151   2HB   ASP  48          2HB       ASP  48   8.783 -11.013 -15.063
  152    H    ILE  49           H        ILE  49   9.277 -15.227 -15.192
  153    HA   ILE  49           HA       ILE  49   7.867 -15.057 -12.616
  154    HB   ILE  49           HB       ILE  49   8.112 -17.401 -12.592
  155   1HG1  ILE  49          1HG1      ILE  49   8.653 -16.969 -15.528
  156   2HG1  ILE  49          2HG1      ILE  49   9.814 -17.598 -14.363
  157   1HG2  ILE  49          1HG2      ILE  49   6.423 -16.042 -14.687
  158   2HG2  ILE  49          2HG2      ILE  49   6.031 -16.209 -12.976
  159   3HG2  ILE  49          3HG2      ILE  49   6.121 -17.639 -14.004
  160   1HD1  ILE  49          1HD1      ILE  49   8.368 -19.532 -13.979
  161   2HD1  ILE  49          2HD1      ILE  49   8.834 -19.385 -15.674
  162   3HD1  ILE  49          3HD1      ILE  49   7.217 -18.900 -15.158
  163    H    THR  50           H        THR  50  10.279 -13.844 -12.664
  164    HA   THR  50           HA       THR  50  12.331 -15.669 -11.758
  165    HB   THR  50           HB       THR  50  12.201 -12.808 -11.534
  166    HG1  THR  50           HG1      THR  50  12.062 -13.080 -13.669
  167   1HG2  THR  50          1HG2      THR  50  14.453 -14.809 -11.601
  168   2HG2  THR  50          2HG2      THR  50  13.946 -13.856 -10.206
  169   3HG2  THR  50          3HG2      THR  50  14.638 -13.057 -11.617
  170    H    GLY  51           H        GLY  51  11.079 -16.600  -9.990
  171   1HA   GLY  51          1HA       GLY  51  11.785 -16.545  -7.597
  172   2HA   GLY  51          2HA       GLY  51  11.216 -14.883  -7.591
  173    H    ARG  52           H        ARG  52   9.526 -14.864  -6.277
  174    HA   ARG  52           HA       ARG  52   7.303 -16.703  -6.823
  175   1HB   ARG  52          1HB       ARG  52   8.296 -15.988  -4.058
  176   2HB   ARG  52          2HB       ARG  52   6.917 -17.008  -4.434
  177   1HG   ARG  52          1HG       ARG  52   8.392 -18.675  -5.407
  178   2HG   ARG  52          2HG       ARG  52   9.786 -17.640  -5.083
  179   1HD   ARG  52          1HD       ARG  52   9.226 -17.716  -2.673
  180   2HD   ARG  52          2HD       ARG  52   7.924 -18.846  -3.041
  181    HE   ARG  52           HE       ARG  52  10.053 -20.089  -4.100
  182   1HH1  ARG  52          1HH1      ARG  52   9.446 -18.649  -0.959
  183   2HH1  ARG  52          2HH1      ARG  52  10.600 -19.660  -0.136
  184   1HH2  ARG  52          1HH2      ARG  52  11.571 -21.417  -3.005
  185   2HH2  ARG  52          2HH2      ARG  52  11.786 -21.235  -1.292
  186    H    ASP  53           H        ASP  53   5.261 -15.919  -5.818
  187    HA   ASP  53           HA       ASP  53   5.143 -12.999  -5.737
  188   1HB   ASP  53          1HB       ASP  53   2.771 -13.213  -5.966
  189   2HB   ASP  53          2HB       ASP  53   3.482 -14.356  -7.098
  190    HA   PRO  54           HA       PRO  54   4.992 -12.617  -1.390
  191   1HB   PRO  54          1HB       PRO  54   2.663 -11.168  -0.959
  192   2HB   PRO  54          2HB       PRO  54   4.231 -10.478  -1.386
  193   1HG   PRO  54          1HG       PRO  54   1.888 -11.088  -3.128
  194   2HG   PRO  54          2HG       PRO  54   3.008  -9.714  -3.188
  195   1HD   PRO  54          1HD       PRO  54   3.200 -11.748  -4.925
  196   2HD   PRO  54          2HD       PRO  54   4.645 -10.933  -4.290
  197    H    LYS  55           H        LYS  55   1.739 -13.332  -2.662
  198    HA   LYS  55           HA       LYS  55  -0.109 -14.098  -1.517
  199   1HB   LYS  55          1HB       LYS  55   0.171 -16.611  -1.117
  200   2HB   LYS  55          2HB       LYS  55   0.367 -15.993  -2.747
  201   1HG   LYS  55          1HG       LYS  55   2.791 -16.129  -2.515
  202   2HG   LYS  55          2HG       LYS  55   2.603 -16.727  -0.864
  203   1HD   LYS  55          1HD       LYS  55   1.575 -18.731  -1.613
  204   2HD   LYS  55          2HD       LYS  55   1.370 -18.095  -3.245
  205   1HE   LYS  55          1HE       LYS  55   3.190 -19.702  -3.168
  206   2HE   LYS  55          2HE       LYS  55   3.792 -18.092  -3.550
  207   1HZ   LYS  55          1HZ       LYS  55   4.584 -17.842  -1.322
  208   2HZ   LYS  55          2HZ       LYS  55   5.169 -19.313  -1.933
  209   3HZ   LYS  55          3HZ       LYS  55   3.872 -19.305  -0.839
  210    H    GLN  56           H        GLN  56  -0.080 -12.786   0.310
  211    HA   GLN  56           HA       GLN  56   0.182 -14.197   2.807
  212   1HB   GLN  56          1HB       GLN  56   2.487 -13.450   2.468
  213   2HB   GLN  56          2HB       GLN  56   1.935 -11.805   2.195
  214   1HG   GLN  56          1HG       GLN  56   1.007 -11.854   4.536
  215   2HG   GLN  56          2HG       GLN  56   1.879 -13.370   4.755
  216   1HE2  GLN  56          1HE2      GLN  56   2.197 -10.757   6.076
  217   2HE2  GLN  56          2HE2      GLN  56   3.858 -10.323   5.832
  218    H    VAL  57           H        VAL  57   0.303 -10.778   1.885
  219    HA   VAL  57           HA       VAL  57  -1.995 -10.247   3.592
  220    HB   VAL  57           HB       VAL  57  -0.061  -9.011   3.726
  221   1HG1  VAL  57          1HG1      VAL  57  -0.772  -8.154   0.929
  222   2HG1  VAL  57          2HG1      VAL  57   0.733  -8.888   1.481
  223   3HG1  VAL  57          3HG1      VAL  57   0.314  -7.255   1.989
  224   1HG2  VAL  57          1HG2      VAL  57  -2.145  -8.131   4.507
  225   2HG2  VAL  57          2HG2      VAL  57  -2.549  -7.557   2.889
  226   3HG2  VAL  57          3HG2      VAL  57  -1.194  -6.845   3.763
  227    H    ILE  58           H        ILE  58  -1.152 -10.432   0.237
  228    HA   ILE  58           HA       ILE  58  -3.278  -8.843  -0.772
  229    HB   ILE  58           HB       ILE  58  -2.877  -9.795  -2.778
  230   1HG1  ILE  58          1HG1      ILE  58  -0.862 -11.538  -1.356
  231   2HG1  ILE  58          2HG1      ILE  58  -2.394 -12.107  -2.008
  232   1HG2  ILE  58          1HG2      ILE  58  -0.428  -9.052  -1.188
  233   2HG2  ILE  58          2HG2      ILE  58  -1.551  -7.931  -1.958
  234   3HG2  ILE  58          3HG2      ILE  58  -0.563  -9.007  -2.947
  235   1HD1  ILE  58          1HD1      ILE  58  -1.673 -11.496  -4.247
  236   2HD1  ILE  58          2HD1      ILE  58  -0.533 -12.608  -3.490
  237   3HD1  ILE  58          3HD1      ILE  58  -0.150 -10.889  -3.599
  238    H    GLY  59           H        GLY  59  -5.039  -9.570  -2.065
  239   1HA   GLY  59          1HA       GLY  59  -6.957 -10.795  -2.411
  240   2HA   GLY  59          2HA       GLY  59  -6.045 -12.224  -1.940
  241    H    LYS  60           H        LYS  60  -6.624  -9.324  -0.023
  242    HA   LYS  60           HA       LYS  60  -7.748 -11.025   2.075
  243   1HB   LYS  60          1HB       LYS  60  -5.828  -9.802   2.797
  244   2HB   LYS  60          2HB       LYS  60  -6.443  -8.309   2.102
  245   1HG   LYS  60          1HG       LYS  60  -6.597  -8.321   4.542
  246   2HG   LYS  60          2HG       LYS  60  -8.185  -8.214   3.786
  247   1HD   LYS  60          1HD       LYS  60  -8.256  -9.743   5.660
  248   2HD   LYS  60          2HD       LYS  60  -8.503 -10.626   4.155
  249   1HE   LYS  60          1HE       LYS  60  -7.015 -11.899   5.548
  250   2HE   LYS  60          2HE       LYS  60  -6.094 -11.245   4.194
  251   1HZ   LYS  60          1HZ       LYS  60  -5.334  -9.448   5.676
  252   2HZ   LYS  60          2HZ       LYS  60  -4.849 -10.980   6.211
  253   3HZ   LYS  60          3HZ       LYS  60  -6.141 -10.186   6.973
  254    H    ASN  61           H        ASN  61  -9.869 -11.016   2.369
  255    HA   ASN  61           HA       ASN  61 -11.281  -8.464   1.969
  256   1HB   ASN  61          1HB       ASN  61 -13.212  -9.536   1.114
  257   2HB   ASN  61          2HB       ASN  61 -11.859 -10.253   0.251
  258   1HD2  ASN  61          1HD2      ASN  61 -11.300 -12.401   0.656
  259   2HD2  ASN  61          2HD2      ASN  61 -12.375 -13.480   1.476
  260    H    PHE  62           H        PHE  62 -12.206  -7.698   3.697
  261    HA   PHE  62           HA       PHE  62 -13.356  -9.354   5.747
  262   1HB   PHE  62          1HB       PHE  62 -10.865  -9.332   6.249
  263   2HB   PHE  62          2HB       PHE  62 -11.020  -7.600   6.536
  264    HD1  PHE  62           HD1      PHE  62 -11.892  -6.764   8.555
  265    HD2  PHE  62           HD2      PHE  62 -12.078 -10.937   7.725
  266    HE1  PHE  62           HE1      PHE  62 -12.560  -7.192  10.884
  267    HE2  PHE  62           HE2      PHE  62 -12.748 -11.369  10.051
  268    HZ   PHE  62           HZ       PHE  62 -12.953  -9.537  11.635
  269    H    PHE  63           H        PHE  63 -15.210  -8.285   6.044
  270    HA   PHE  63           HA       PHE  63 -15.201  -5.382   5.605
  271   1HB   PHE  63          1HB       PHE  63 -17.448  -7.390   5.360
  272   2HB   PHE  63          2HB       PHE  63 -17.604  -5.659   5.072
  273    HD1  PHE  63           HD1      PHE  63 -16.580  -4.625   3.123
  274    HD2  PHE  63           HD2      PHE  63 -16.339  -8.821   3.781
  275    HE1  PHE  63           HE1      PHE  63 -15.885  -4.948   0.785
  276    HE2  PHE  63           HE2      PHE  63 -15.641  -9.153   1.445
  277    HZ   PHE  63           HZ       PHE  63 -15.415  -7.213  -0.055
  278    H    LYS  64           H        LYS  64 -14.599  -6.721   8.200
  279    HA   LYS  64           HA       LYS  64 -16.722  -5.383   9.740
  280   1HB   LYS  64          1HB       LYS  64 -16.304  -7.949  10.048
  281   2HB   LYS  64          2HB       LYS  64 -14.901  -7.432  10.971
  282   1HG   LYS  64          1HG       LYS  64 -17.648  -6.395  11.588
  283   2HG   LYS  64          2HG       LYS  64 -17.070  -7.928  12.236
  284   1HD   LYS  64          1HD       LYS  64 -15.563  -5.346  12.576
  285   2HD   LYS  64          2HD       LYS  64 -16.788  -5.892  13.720
  286   1HE   LYS  64          1HE       LYS  64 -14.331  -7.458  12.943
  287   2HE   LYS  64          2HE       LYS  64 -14.482  -6.478  14.402
  288   1HZ   LYS  64          1HZ       LYS  64 -16.159  -8.841  13.715
  289   2HZ   LYS  64          2HZ       LYS  64 -16.323  -7.893  15.109
  290   3HZ   LYS  64          3HZ       LYS  64 -14.915  -8.805  14.870
  291    H    ASP  65           H        ASP  65 -15.857  -3.390   9.759
  292    HA   ASP  65           HA       ASP  65 -13.063  -2.912  10.197
  293   1HB   ASP  65          1HB       ASP  65 -14.338  -1.494   8.692
  294   2HB   ASP  65          2HB       ASP  65 -15.431  -1.039   9.992
  295    H    VAL  66           H        VAL  66 -12.554  -1.051  11.849
  296    HA   VAL  66           HA       VAL  66 -12.039  -0.659  14.015
  297    HB   VAL  66           HB       VAL  66 -14.688  -1.620  14.615
  298   1HG1  VAL  66          1HG1      VAL  66 -13.192  -1.316  16.531
  299   2HG1  VAL  66          2HG1      VAL  66 -14.430  -0.060  16.491
  300   3HG1  VAL  66          3HG1      VAL  66 -12.787   0.305  15.964
  301   1HG2  VAL  66          1HG2      VAL  66 -14.829   0.024  12.837
  302   2HG2  VAL  66          2HG2      VAL  66 -13.769   1.108  13.739
  303   3HG2  VAL  66          3HG2      VAL  66 -15.366   0.711  14.370
  304    H    ALA  67           H        ALA  67 -10.907  -2.746  13.251
  305    HA   ALA  67           HA       ALA  67 -10.949  -4.563  15.494
  306   1HB   ALA  67          1HB       ALA  67 -11.355  -5.641  12.706
  307   2HB   ALA  67          2HB       ALA  67 -12.583  -5.581  13.970
  308   3HB   ALA  67          3HB       ALA  67 -11.155  -6.593  14.180
  309    HA   PRO  68           HA       PRO  68  -6.930  -5.161  12.820
  310   1HB   PRO  68          1HB       PRO  68  -7.107  -2.928  10.899
  311   2HB   PRO  68          2HB       PRO  68  -6.611  -4.603  10.634
  312   1HG   PRO  68          1HG       PRO  68  -8.952  -3.691   9.718
  313   2HG   PRO  68          2HG       PRO  68  -8.788  -5.340  10.350
  314   1HD   PRO  68          1HD       PRO  68  -9.921  -2.908  11.683
  315   2HD   PRO  68          2HD       PRO  68 -10.532  -4.576  11.680
  316    H    CYS  69           H        CYS  69  -4.946  -4.067  13.168
  317    HA   CYS  69           HA       CYS  69  -5.083  -2.022  15.146
  318   1HB   CYS  69          1HB       CYS  69  -2.792  -3.311  13.672
  319   2HB   CYS  69          2HB       CYS  69  -2.550  -2.047  14.870
  320    H    THR  70           H        THR  70  -5.678  -0.009  14.573
  321    HA   THR  70           HA       THR  70  -4.968   1.210  12.110
  322    HB   THR  70           HB       THR  70  -6.768   1.845  13.264
  323    HG1  THR  70           HG1      THR  70  -4.724   3.512  12.520
  324   1HG2  THR  70          1HG2      THR  70  -6.616   3.140  15.331
  325   2HG2  THR  70          2HG2      THR  70  -4.891   2.778  15.425
  326   3HG2  THR  70          3HG2      THR  70  -6.073   1.476  15.552
  327    H    ASP  71           H        ASP  71  -3.558   1.170  15.323
  328    HA   ASP  71           HA       ASP  71  -1.505   1.636  16.127
  329   1HB   ASP  71          1HB       ASP  71  -0.860   0.188  14.171
  330   2HB   ASP  71          2HB       ASP  71  -0.571   1.660  13.254
  331    H    SER  72           H        SER  72  -0.663   3.338  13.208
  332    HA   SER  72           HA       SER  72  -1.232   5.912  14.467
  333   1HB   SER  72          1HB       SER  72   1.167   5.238  14.934
  334   2HB   SER  72          2HB       SER  72   1.448   5.290  13.194
  335    HG   SER  72           HG       SER  72   1.979   7.293  13.789
  336    HA   PRO  73           HA       PRO  73  -2.820   6.318  10.359
  337   1HB   PRO  73          1HB       PRO  73  -3.844   8.789  10.592
  338   2HB   PRO  73          2HB       PRO  73  -4.554   7.396  11.417
  339   1HG   PRO  73          1HG       PRO  73  -2.731   9.513  12.497
  340   2HG   PRO  73          2HG       PRO  73  -4.185   8.809  13.230
  341   1HD   PRO  73          1HD       PRO  73  -1.650   8.039  13.887
  342   2HD   PRO  73          2HD       PRO  73  -3.057   6.962  13.992
  343    H    GLU  74           H        GLU  74   0.013   7.473  11.254
  344    HA   GLU  74           HA       GLU  74   0.293   9.767   9.517
  345   1HB   GLU  74          1HB       GLU  74   2.582   9.857  10.357
  346   2HB   GLU  74          2HB       GLU  74   1.444   9.687  11.687
  347   1HG   GLU  74          1HG       GLU  74   1.937   7.289  11.794
  348   2HG   GLU  74          2HG       GLU  74   3.093   7.476  10.477
  349    H    PHE  75           H        PHE  75   0.736   6.378   9.270
  350    HA   PHE  75           HA       PHE  75   2.986   6.124   7.692
  351   1HB   PHE  75          1HB       PHE  75   0.481   4.457   7.809
  352   2HB   PHE  75          2HB       PHE  75   1.861   4.013   6.810
  353    HD1  PHE  75           HD1      PHE  75   0.364   3.661   9.961
  354    HD2  PHE  75           HD2      PHE  75   4.162   3.952   8.067
  355    HE1  PHE  75           HE1      PHE  75   1.411   2.577  11.902
  356    HE2  PHE  75           HE2      PHE  75   5.216   2.864  10.004
  357    HZ   PHE  75           HZ       PHE  75   3.839   2.175  11.925
  358    H    TYR  76           H        TYR  76   3.424   5.968   5.557
  359    HA   TYR  76           HA       TYR  76   3.362   6.376   3.340
  360   1HB   TYR  76          1HB       TYR  76   0.350   6.467   3.619
  361   2HB   TYR  76          2HB       TYR  76   1.254   6.301   2.116
  362    HD1  TYR  76           HD1      TYR  76   2.826   4.216   1.956
  363    HD2  TYR  76           HD2      TYR  76  -0.388   4.554   4.721
  364    HE1  TYR  76           HE1      TYR  76   2.766   1.766   2.176
  365    HE2  TYR  76           HE2      TYR  76  -0.454   2.106   4.954
  366    HH   TYR  76           HH       TYR  76   0.203   0.111   3.654
  367    H    GLY  77           H        GLY  77   0.471   8.250   4.112
  368   1HA   GLY  77          1HA       GLY  77   1.957  10.727   4.258
  369   2HA   GLY  77          2HA       GLY  77   0.981  10.551   2.800
  370    H    LYS  78           H        LYS  78   0.604   9.854   6.260
  371    HA   LYS  78           HA       LYS  78  -1.176   9.952   7.648
  372   1HB   LYS  78          1HB       LYS  78  -1.936  12.345   5.966
  373   2HB   LYS  78          2HB       LYS  78  -2.686  11.911   7.495
  374   1HG   LYS  78          1HG       LYS  78  -0.391  12.119   8.534
  375   2HG   LYS  78          2HG       LYS  78   0.128  12.845   7.010
  376   1HD   LYS  78          1HD       LYS  78  -2.094  13.857   8.792
  377   2HD   LYS  78          2HD       LYS  78  -0.480  14.559   8.655
  378   1HE   LYS  78          1HE       LYS  78  -2.369  14.274   6.327
  379   2HE   LYS  78          2HE       LYS  78  -2.307  15.711   7.345
  380   1HZ   LYS  78          1HZ       LYS  78  -0.035  16.067   6.715
  381   2HZ   LYS  78          2HZ       LYS  78  -0.978  15.915   5.314
  382   3HZ   LYS  78          3HZ       LYS  78   0.003  14.625   5.822
  383    H    PHE  79           H        PHE  79  -1.656   7.925   6.528
  384    HA   PHE  79           HA       PHE  79  -3.327   7.609   4.357
  385   1HB   PHE  79          1HB       PHE  79  -2.025   5.779   5.369
  386   2HB   PHE  79          2HB       PHE  79  -3.098   5.785   6.764
  387    HD1  PHE  79           HD1      PHE  79  -4.879   4.308   6.799
  388    HD2  PHE  79           HD2      PHE  79  -3.196   5.442   3.064
  389    HE1  PHE  79           HE1      PHE  79  -6.359   2.707   5.652
  390    HE2  PHE  79           HE2      PHE  79  -4.669   3.850   1.909
  391    HZ   PHE  79           HZ       PHE  79  -6.252   2.481   3.191
  392    H    LYS  80           H        LYS  80  -4.206   8.040   7.772
  393    HA   LYS  80           HA       LYS  80  -6.924   7.331   7.501
  394   1HB   LYS  80          1HB       LYS  80  -5.723   7.524   9.677
  395   2HB   LYS  80          2HB       LYS  80  -5.743   9.274   9.492
  396   1HG   LYS  80          1HG       LYS  80  -8.173   9.270   9.537
  397   2HG   LYS  80          2HG       LYS  80  -8.179   7.510   9.665
  398   1HD   LYS  80          1HD       LYS  80  -6.970   7.687  11.804
  399   2HD   LYS  80          2HD       LYS  80  -7.032   9.445  11.675
  400   1HE   LYS  80          1HE       LYS  80  -8.793   8.663  13.140
  401   2HE   LYS  80          2HE       LYS  80  -9.487   9.341  11.668
  402   1HZ   LYS  80          1HZ       LYS  80  -9.767   7.092  10.809
  403   2HZ   LYS  80          2HZ       LYS  80 -10.580   7.284  12.280
  404   3HZ   LYS  80          3HZ       LYS  80  -9.108   6.445  12.231
  405    H    GLU  81           H        GLU  81  -5.183  10.268   6.828
  406    HA   GLU  81           HA       GLU  81  -7.572  11.889   6.614
  407   1HB   GLU  81          1HB       GLU  81  -5.372  12.846   7.314
  408   2HB   GLU  81          2HB       GLU  81  -4.740  12.488   5.713
  409   1HG   GLU  81          1HG       GLU  81  -5.347  14.819   5.903
  410   2HG   GLU  81          2HG       GLU  81  -6.370  14.005   4.721
  411    H    GLY  82           H        GLY  82  -5.385  10.121   4.552
  412   1HA   GLY  82          1HA       GLY  82  -6.221  11.043   2.081
  413   2HA   GLY  82          2HA       GLY  82  -5.485   9.491   2.394
  414    H    VAL  83           H        VAL  83  -7.301   8.395   4.091
  415    HA   VAL  83           HA       VAL  83  -9.229   7.331   2.308
  416    HB   VAL  83           HB       VAL  83  -9.083   7.349   5.176
  417   1HG1  VAL  83          1HG1      VAL  83 -11.331   6.793   4.384
  418   2HG1  VAL  83          2HG1      VAL  83 -10.508   5.354   4.984
  419   3HG1  VAL  83          3HG1      VAL  83 -10.649   5.627   3.248
  420   1HG2  VAL  83          1HG2      VAL  83  -8.074   5.158   4.834
  421   2HG2  VAL  83          2HG2      VAL  83  -7.102   6.448   4.124
  422   3HG2  VAL  83          3HG2      VAL  83  -8.100   5.422   3.092
  423    H    ALA  84           H        ALA  84  -9.500   9.581   5.047
  424    HA   ALA  84           HA       ALA  84 -12.353   9.718   4.804
  425   1HB   ALA  84          1HB       ALA  84 -11.276   9.878   6.992
  426   2HB   ALA  84          2HB       ALA  84 -12.233  11.319   6.645
  427   3HB   ALA  84          3HB       ALA  84 -10.476  11.368   6.491
  428    H    SER  85           H        SER  85  -9.645  11.489   3.622
  429    HA   SER  85           HA       SER  85 -11.043  13.788   2.730
  430   1HB   SER  85          1HB       SER  85  -8.556  13.591   2.737
  431   2HB   SER  85          2HB       SER  85  -8.670  12.447   1.401
  432    HG   SER  85           HG       SER  85 -10.071  14.535   0.673
  433    H    GLY  86           H        GLY  86 -10.667  10.551   1.458
  434   1HA   GLY  86          1HA       GLY  86 -12.122   9.459  -0.003
  435   2HA   GLY  86          2HA       GLY  86 -12.892  11.002  -0.356
  436    H    ASN  87           H        ASN  87  -9.500  11.007  -0.457
  437    HA   ASN  87           HA       ASN  87  -9.135  10.257  -3.157
  438   1HB   ASN  87          1HB       ASN  87  -8.527  12.591  -4.001
  439   2HB   ASN  87          2HB       ASN  87 -10.237  12.211  -3.873
  440   1HD2  ASN  87          1HD2      ASN  87 -11.482  13.255  -2.373
  441   2HD2  ASN  87          2HD2      ASN  87 -10.950  14.663  -1.517
  442    H    LEU  88           H        LEU  88  -7.752   9.311  -1.286
  443    HA   LEU  88           HA       LEU  88  -5.350  10.620  -0.623
  444   1HB   LEU  88          1HB       LEU  88  -6.503   8.311   0.099
  445   2HB   LEU  88          2HB       LEU  88  -5.329   7.697  -1.053
  446    HG   LEU  88           HG       LEU  88  -4.715   9.452   1.266
  447   1HD1  LEU  88          1HD1      LEU  88  -5.491   7.301   2.047
  448   2HD1  LEU  88          2HD1      LEU  88  -3.748   7.424   2.297
  449   3HD1  LEU  88          3HD1      LEU  88  -4.384   6.477   0.951
  450   1HD2  LEU  88          1HD2      LEU  88  -2.888   7.928  -0.581
  451   2HD2  LEU  88          2HD2      LEU  88  -2.374   8.816   0.855
  452   3HD2  LEU  88          3HD2      LEU  88  -3.082   9.680  -0.509
  453    H    ASN  89           H        ASN  89  -4.335  11.564  -2.416
  454    HA   ASN  89           HA       ASN  89  -3.083   9.608  -4.167
  455   1HB   ASN  89          1HB       ASN  89  -3.599  10.883  -6.206
  456   2HB   ASN  89          2HB       ASN  89  -5.063  10.317  -5.411
  457   1HD2  ASN  89          1HD2      ASN  89  -3.248  13.065  -6.432
  458   2HD2  ASN  89          2HD2      ASN  89  -4.421  14.260  -5.990
  459    H    THR  90           H        THR  90  -1.026   9.889  -3.452
  460    HA   THR  90           HA       THR  90   0.244  12.381  -4.201
  461    HB   THR  90           HB       THR  90  -0.607  12.682  -2.058
  462    HG1  THR  90           HG1      THR  90   1.068  13.938  -1.866
  463   1HG2  THR  90          1HG2      THR  90  -0.377  10.452  -1.139
  464   2HG2  THR  90          2HG2      THR  90   0.551  11.611  -0.188
  465   3HG2  THR  90          3HG2      THR  90   1.375  10.538  -1.318
  466    H    MET  91           H        MET  91   2.566  12.258  -4.031
  467    HA   MET  91           HA       MET  91   3.611   9.529  -3.797
  468   1HB   MET  91          1HB       MET  91   5.166   9.957  -5.666
  469   2HB   MET  91          2HB       MET  91   3.489   9.983  -6.176
  470   1HG   MET  91          1HG       MET  91   5.099  12.460  -5.597
  471   2HG   MET  91          2HG       MET  91   4.941  11.736  -7.196
  472   1HE   MET  91          1HE       MET  91   2.735  15.010  -7.329
  473   2HE   MET  91          2HE       MET  91   4.126  14.171  -8.016
  474   3HE   MET  91          3HE       MET  91   4.197  14.791  -6.366
  475    H    PHE  92           H        PHE  92   4.984   9.460  -2.204
  476    HA   PHE  92           HA       PHE  92   6.733  11.780  -1.713
  477   1HB   PHE  92          1HB       PHE  92   4.895  11.562  -0.019
  478   2HB   PHE  92          2HB       PHE  92   5.506   9.964   0.383
  479    HD1  PHE  92           HD1      PHE  92   6.059  13.561   0.672
  480    HD2  PHE  92           HD2      PHE  92   7.555   9.699   1.655
  481    HE1  PHE  92           HE1      PHE  92   7.554  14.570   2.343
  482    HE2  PHE  92           HE2      PHE  92   9.053  10.703   3.330
  483    HZ   PHE  92           HZ       PHE  92   9.053  13.140   3.674
  484    H    GLU  93           H        GLU  93   8.889  11.258  -1.553
  485    HA   GLU  93           HA       GLU  93   9.472   8.390  -1.497
  486   1HB   GLU  93          1HB       GLU  93  11.751   9.078  -2.377
  487   2HB   GLU  93          2HB       GLU  93  10.391   9.209  -3.477
  488   1HG   GLU  93          1HG       GLU  93  10.279  11.634  -2.947
  489   2HG   GLU  93          2HG       GLU  93  11.764  11.443  -2.009
  490    H    TYR  94           H        TYR  94  10.212   7.559   0.242
  491    HA   TYR  94           HA       TYR  94  11.230   9.344   2.344
  492   1HB   TYR  94          1HB       TYR  94   9.046   8.179   2.752
  493   2HB   TYR  94          2HB       TYR  94   9.896   6.644   2.639
  494    HD1  TYR  94           HD1      TYR  94  11.512   5.995   4.403
  495    HD2  TYR  94           HD2      TYR  94   9.148   9.520   4.723
  496    HE1  TYR  94           HE1      TYR  94  11.981   6.083   6.815
  497    HE2  TYR  94           HE2      TYR  94   9.616   9.619   7.134
  498    HH   TYR  94           HH       TYR  94  10.226   7.899   8.944
  499    H    THR  95           H        THR  95  13.222   9.047   3.037
  500    HA   THR  95           HA       THR  95  14.695   6.691   2.086
  501    HB   THR  95           HB       THR  95  15.679   9.037   3.420
  502    HG1  THR  95           HG1      THR  95  14.359   9.179   1.290
  503   1HG2  THR  95          1HG2      THR  95  17.181   7.126   3.340
  504   2HG2  THR  95          2HG2      THR  95  17.717   8.390   2.230
  505   3HG2  THR  95          3HG2      THR  95  16.893   6.959   1.609
  506    H    PHE  96           H        PHE  96  14.452   5.067   3.527
  507    HA   PHE  96           HA       PHE  96  14.186   5.473   6.330
  508   1HB   PHE  96          1HB       PHE  96  14.757   3.017   4.672
  509   2HB   PHE  96          2HB       PHE  96  14.661   2.964   6.429
  510    HD1  PHE  96           HD1      PHE  96  12.539   3.360   7.572
  511    HD2  PHE  96           HD2      PHE  96  12.786   3.275   3.322
  512    HE1  PHE  96           HE1      PHE  96  10.095   3.119   7.438
  513    HE2  PHE  96           HE2      PHE  96  10.341   3.047   3.183
  514    HZ   PHE  96           HZ       PHE  96   8.993   2.967   5.242
  515    H    ASP  97           H        ASP  97  15.860   6.682   7.080
  516    HA   ASP  97           HA       ASP  97  18.600   5.887   6.630
  517   1HB   ASP  97          1HB       ASP  97  17.790   8.300   6.861
  518   2HB   ASP  97          2HB       ASP  97  17.595   7.972   8.579
  519    H    TYR  98           H        TYR  98  18.246   3.740   7.505
  520    HA   TYR  98           HA       TYR  98  18.715   3.663  10.395
  521   1HB   TYR  98          1HB       TYR  98  16.735   1.901   8.921
  522   2HB   TYR  98          2HB       TYR  98  17.241   1.663  10.589
  523    HD1  TYR  98           HD1      TYR  98  15.089   3.530   8.342
  524    HD2  TYR  98           HD2      TYR  98  16.553   3.293  12.330
  525    HE1  TYR  98           HE1      TYR  98  13.273   5.008   9.090
  526    HE2  TYR  98           HE2      TYR  98  14.739   4.771  13.089
  527    HH   TYR  98           HH       TYR  98  13.219   6.415  12.229
  528    H    GLN  99           H        GLN  99  20.105   2.029  11.025
  529    HA   GLN  99           HA       GLN  99  21.737   0.456  10.849
  530   1HB   GLN  99          1HB       GLN  99  20.098  -0.450   8.472
  531   2HB   GLN  99          2HB       GLN  99  21.422  -1.363   9.181
  532   1HG   GLN  99          1HG       GLN  99  20.199  -1.560  11.268
  533   2HG   GLN  99          2HG       GLN  99  18.891  -0.583  10.608
  534   1HE2  GLN  99          1HE2      GLN  99  20.471  -3.682  10.529
  535   2HE2  GLN  99          2HE2      GLN  99  19.216  -4.519   9.685
  536    H    MET 100           H        MET 100  22.589  -0.655   8.156
  537    HA   MET 100           HA       MET 100  24.083   1.725   7.289
  538   1HB   MET 100          1HB       MET 100  24.707  -1.217   7.086
  539   2HB   MET 100          2HB       MET 100  25.601   0.002   6.187
  540   1HG   MET 100          1HG       MET 100  25.336  -0.066   9.184
  541   2HG   MET 100          2HG       MET 100  26.711  -0.694   8.276
  542   1HE   MET 100          1HE       MET 100  26.988   1.445   5.938
  543   2HE   MET 100          2HE       MET 100  28.350   0.795   6.851
  544   3HE   MET 100          3HE       MET 100  28.177   2.538   6.648
  545    H    THR 101           H        THR 101  21.440  -0.001   6.441
  546    HA   THR 101           HA       THR 101  21.892   0.377   3.555
  547    HB   THR 101           HB       THR 101  19.950  -1.290   4.849
  548    HG1  THR 101           HG1      THR 101  22.664  -1.734   4.069
  549   1HG2  THR 101          1HG2      THR 101  21.122  -1.180   2.076
  550   2HG2  THR 101          2HG2      THR 101  19.489  -0.697   2.534
  551   3HG2  THR 101          3HG2      THR 101  19.979  -2.385   2.667
  552    HA   PRO 102           HA       PRO 102  18.590   3.387   4.459
  553   1HB   PRO 102          1HB       PRO 102  19.596   4.901   2.219
  554   2HB   PRO 102          2HB       PRO 102  19.648   5.316   3.932
  555   1HG   PRO 102          1HG       PRO 102  21.864   4.718   2.430
  556   2HG   PRO 102          2HG       PRO 102  21.766   4.515   4.189
  557   1HD   PRO 102          1HD       PRO 102  21.491   2.465   2.023
  558   2HD   PRO 102          2HD       PRO 102  22.300   2.339   3.601
  559    H    THR 103           H        THR 103  16.821   2.271   3.744
  560    HA   THR 103           HA       THR 103  16.438   1.672   0.955
  561    HB   THR 103           HB       THR 103  14.581   1.685   3.150
  562    HG1  THR 103           HG1      THR 103  15.604  -0.078   3.740
  563   1HG2  THR 103          1HG2      THR 103  14.591   0.319   0.463
  564   2HG2  THR 103          2HG2      THR 103  13.522   1.635   0.952
  565   3HG2  THR 103          3HG2      THR 103  13.411   0.065   1.748
  566    H    LYS 104           H        LYS 104  16.329   3.500  -0.240
  567    HA   LYS 104           HA       LYS 104  14.473   5.622   0.512
  568   1HB   LYS 104          1HB       LYS 104  16.701   6.280  -0.265
  569   2HB   LYS 104          2HB       LYS 104  16.447   5.410  -1.772
  570   1HG   LYS 104          1HG       LYS 104  14.547   6.938  -2.258
  571   2HG   LYS 104          2HG       LYS 104  14.989   7.864  -0.820
  572   1HD   LYS 104          1HD       LYS 104  17.223   8.250  -1.770
  573   2HD   LYS 104          2HD       LYS 104  16.752   7.358  -3.218
  574   1HE   LYS 104          1HE       LYS 104  15.423   9.870  -2.207
  575   2HE   LYS 104          2HE       LYS 104  16.605   9.801  -3.512
  576   1HZ   LYS 104          1HZ       LYS 104  15.120   8.542  -4.848
  577   2HZ   LYS 104          2HZ       LYS 104  14.244   9.869  -4.242
  578   3HZ   LYS 104          3HZ       LYS 104  14.034   8.332  -3.565
  579    H    VAL 105           H        VAL 105  12.420   5.081   0.018
  580    HA   VAL 105           HA       VAL 105  11.903   4.018  -2.661
  581    HB   VAL 105           HB       VAL 105   9.981   3.074  -1.822
  582   1HG1  VAL 105          1HG1      VAL 105  12.017   1.795  -2.231
  583   2HG1  VAL 105          2HG1      VAL 105  11.153   1.173  -0.824
  584   3HG1  VAL 105          3HG1      VAL 105  12.590   2.173  -0.607
  585   1HG2  VAL 105          1HG2      VAL 105   9.776   2.688   0.568
  586   2HG2  VAL 105          2HG2      VAL 105   9.691   4.409   0.192
  587   3HG2  VAL 105          3HG2      VAL 105  11.171   3.725   0.864
  588    H    LYS 106           H        LYS 106   9.817   4.485  -3.545
  589    HA   LYS 106           HA       LYS 106   8.737   7.055  -2.604
  590   1HB   LYS 106          1HB       LYS 106   8.347   5.750  -5.305
  591   2HB   LYS 106          2HB       LYS 106   7.771   7.336  -4.830
  592   1HG   LYS 106          1HG       LYS 106  10.229   7.951  -4.525
  593   2HG   LYS 106          2HG       LYS 106  10.578   6.460  -5.413
  594   1HD   LYS 106          1HD       LYS 106   8.914   7.337  -7.158
  595   2HD   LYS 106          2HD       LYS 106   9.070   8.891  -6.344
  596   1HE   LYS 106          1HE       LYS 106  11.249   7.304  -7.688
  597   2HE   LYS 106          2HE       LYS 106  10.564   8.836  -8.222
  598   1HZ   LYS 106          1HZ       LYS 106  12.313   8.319  -5.894
  599   2HZ   LYS 106          2HZ       LYS 106  11.410   9.754  -6.036
  600   3HZ   LYS 106          3HZ       LYS 106  12.576   9.370  -7.200
  601    H    VAL 107           H        VAL 107   6.649   7.145  -1.903
  602    HA   VAL 107           HA       VAL 107   4.946   4.813  -2.492
  603    HB   VAL 107           HB       VAL 107   3.427   6.158  -1.027
  604   1HG1  VAL 107          1HG1      VAL 107   4.223   4.686   0.784
  605   2HG1  VAL 107          2HG1      VAL 107   5.692   4.355  -0.132
  606   3HG1  VAL 107          3HG1      VAL 107   4.127   3.832  -0.757
  607   1HG2  VAL 107          1HG2      VAL 107   4.638   7.101   0.853
  608   2HG2  VAL 107          2HG2      VAL 107   4.979   7.995  -0.628
  609   3HG2  VAL 107          3HG2      VAL 107   6.170   6.863   0.015
  610    H    HIS 108           H        HIS 108   4.130   5.255  -4.485
  611    HA   HIS 108           HA       HIS 108   2.678   7.793  -4.706
  612   1HB   HIS 108          1HB       HIS 108   4.044   6.806  -6.665
  613   2HB   HIS 108          2HB       HIS 108   2.750   5.621  -6.809
  614    HD1  HIS 108           HD1      HIS 108   3.158   7.348  -9.204
  615    HD2  HIS 108           HD2      HIS 108   0.714   8.506  -6.034
  616    HE1  HIS 108           HE1      HIS 108   1.589   9.082 -10.147
  617    HE2  HIS 108           HE2      HIS 108   0.086   9.743  -8.225
  618    H    MET 109           H        MET 109   0.932   7.685  -3.533
  619    HA   MET 109           HA       MET 109  -0.667   5.215  -3.596
  620   1HB   MET 109          1HB       MET 109   0.390   6.139  -1.386
  621   2HB   MET 109          2HB       MET 109  -0.898   7.333  -1.471
  622   1HG   MET 109          1HG       MET 109  -2.571   5.689  -1.275
  623   2HG   MET 109          2HG       MET 109  -1.422   4.384  -1.564
  624   1HE   MET 109          1HE       MET 109  -1.629   2.855   0.398
  625   2HE   MET 109          2HE       MET 109  -3.149   3.705   0.671
  626   3HE   MET 109          3HE       MET 109  -2.058   3.393   2.022
  627    H    LYS 110           H        LYS 110  -2.505   5.411  -4.754
  628    HA   LYS 110           HA       LYS 110  -3.479   8.148  -5.186
  629   1HB   LYS 110          1HB       LYS 110  -3.769   7.651  -7.591
  630   2HB   LYS 110          2HB       LYS 110  -2.079   7.609  -7.106
  631   1HG   LYS 110          1HG       LYS 110  -1.961   5.287  -7.269
  632   2HG   LYS 110          2HG       LYS 110  -3.713   5.103  -7.222
  633   1HD   LYS 110          1HD       LYS 110  -2.943   4.679  -9.459
  634   2HD   LYS 110          2HD       LYS 110  -3.840   6.197  -9.443
  635   1HE   LYS 110          1HE       LYS 110  -1.757   7.450  -9.410
  636   2HE   LYS 110          2HE       LYS 110  -0.838   5.945  -9.358
  637   1HZ   LYS 110          1HZ       LYS 110  -1.742   5.359 -11.524
  638   2HZ   LYS 110          2HZ       LYS 110  -0.922   6.839 -11.594
  639   3HZ   LYS 110          3HZ       LYS 110  -2.619   6.811 -11.576
  640    H    LYS 111           H        LYS 111  -5.622   8.288  -4.849
  641    HA   LYS 111           HA       LYS 111  -7.375   6.213  -4.564
  642   1HB   LYS 111          1HB       LYS 111  -7.874   8.504  -4.041
  643   2HB   LYS 111          2HB       LYS 111  -7.722   8.964  -5.725
  644   1HG   LYS 111          1HG       LYS 111  -9.668   7.441  -6.213
  645   2HG   LYS 111          2HG       LYS 111  -9.883   7.294  -4.465
  646   1HD   LYS 111          1HD       LYS 111 -10.070   9.764  -4.341
  647   2HD   LYS 111          2HD       LYS 111 -10.001   9.819  -6.103
  648   1HE   LYS 111          1HE       LYS 111 -12.016   8.492  -6.269
  649   2HE   LYS 111          2HE       LYS 111 -12.078   8.314  -4.516
  650   1HZ   LYS 111          1HZ       LYS 111 -12.251  10.924  -5.934
  651   2HZ   LYS 111          2HZ       LYS 111 -12.487  10.644  -4.277
  652   3HZ   LYS 111          3HZ       LYS 111 -13.593  10.035  -5.403
  653    H    ALA 112           H        ALA 112  -7.872   4.649  -5.901
  654    HA   ALA 112           HA       ALA 112  -7.007   4.255  -8.450
  655   1HB   ALA 112          1HB       ALA 112  -9.632   3.284  -7.324
  656   2HB   ALA 112          2HB       ALA 112  -8.059   2.520  -7.092
  657   3HB   ALA 112          3HB       ALA 112  -8.777   2.595  -8.701
  658    H    LEU 113           H        LEU 113  -7.805   4.583 -10.528
  659    HA   LEU 113           HA       LEU 113  -8.975   7.125 -10.897
  660   1HB   LEU 113          1HB       LEU 113  -7.353   5.975 -12.438
  661   2HB   LEU 113          2HB       LEU 113  -8.680   4.967 -12.981
  662    HG   LEU 113           HG       LEU 113  -9.864   6.959 -13.803
  663   1HD1  LEU 113          1HD1      LEU 113  -8.961   8.589 -12.214
  664   2HD1  LEU 113          2HD1      LEU 113  -8.733   9.118 -13.881
  665   3HD1  LEU 113          3HD1      LEU 113  -7.375   8.451 -12.975
  666   1HD2  LEU 113          1HD2      LEU 113  -7.030   6.728 -14.800
  667   2HD2  LEU 113          2HD2      LEU 113  -8.378   7.451 -15.677
  668   3HD2  LEU 113          3HD2      LEU 113  -8.391   5.727 -15.304
  669    H    SER 114           H        SER 114 -10.293   3.919 -10.801
  670    HA   SER 114           HA       SER 114 -12.906   4.740 -11.695
  671   1HB   SER 114          1HB       SER 114 -12.007   2.204 -10.298
  672   2HB   SER 114          2HB       SER 114 -13.586   2.460 -11.044
  673    HG   SER 114           HG       SER 114 -11.496   1.490 -12.218
  674    H    GLY 115           H        GLY 115 -11.467   3.746  -8.585
  675   1HA   GLY 115          1HA       GLY 115 -11.931   5.450  -6.783
  676   2HA   GLY 115          2HA       GLY 115 -13.617   5.245  -7.228
  677    H    ASP 116           H        ASP 116 -13.234   4.881  -4.712
  678    HA   ASP 116           HA       ASP 116 -13.697   3.482  -3.003
  679   1HB   ASP 116          1HB       ASP 116 -15.407   2.695  -4.699
  680   2HB   ASP 116          2HB       ASP 116 -14.299   1.384  -5.089
  681    H    SER 117           H        SER 117 -11.074   3.669  -3.953
  682    HA   SER 117           HA       SER 117  -9.722   1.706  -2.502
  683   1HB   SER 117          1HB       SER 117  -8.609   0.559  -4.515
  684   2HB   SER 117          2HB       SER 117 -10.218   0.034  -4.039
  685    HG   SER 117           HG       SER 117 -10.991   1.555  -5.699
  686    H    TYR 118           H        TYR 118  -7.427   1.928  -2.639
  687    HA   TYR 118           HA       TYR 118  -6.423   4.232  -4.170
  688   1HB   TYR 118          1HB       TYR 118  -5.783   3.753  -1.240
  689   2HB   TYR 118          2HB       TYR 118  -5.284   5.125  -2.228
  690    HD1  TYR 118           HD1      TYR 118  -7.920   3.665  -0.242
  691    HD2  TYR 118           HD2      TYR 118  -6.899   6.833  -2.857
  692    HE1  TYR 118           HE1      TYR 118  -9.939   4.889   0.484
  693    HE2  TYR 118           HE2      TYR 118  -8.903   8.084  -2.153
  694    HH   TYR 118           HH       TYR 118 -10.783   7.196   0.549
  695    H    TRP 119           H        TRP 119  -4.374   3.887  -4.992
  696    HA   TRP 119           HA       TRP 119  -3.382   1.180  -4.753
  697   1HB   TRP 119          1HB       TRP 119  -2.600   3.541  -6.448
  698   2HB   TRP 119          2HB       TRP 119  -1.736   1.995  -6.486
  699    HD1  TRP 119           HD1      TRP 119  -5.349   3.308  -7.098
  700    HE1  TRP 119           HE1      TRP 119  -6.342   1.878  -9.017
  701    HE3  TRP 119           HE3      TRP 119  -1.460   0.095  -7.802
  702    HZ2  TRP 119           HZ2      TRP 119  -5.548  -0.340 -10.591
  703    HZ3  TRP 119           HZ3      TRP 119  -1.627  -1.626  -9.503
  704    HH2  TRP 119           HH2      TRP 119  -3.633  -1.851 -10.892
  705    H    VAL 120           H        VAL 120  -1.143   0.768  -4.571
  706    HA   VAL 120           HA       VAL 120   0.453   2.751  -3.092
  707    HB   VAL 120           HB       VAL 120   0.346  -0.096  -2.670
  708   1HG1  VAL 120          1HG1      VAL 120   1.810   0.438  -0.777
  709   2HG1  VAL 120          2HG1      VAL 120   1.849   2.126  -1.284
  710   3HG1  VAL 120          3HG1      VAL 120   2.560   0.881  -2.311
  711   1HG2  VAL 120          1HG2      VAL 120  -1.662   0.936  -1.832
  712   2HG2  VAL 120          2HG2      VAL 120  -0.711   2.182  -1.023
  713   3HG2  VAL 120          3HG2      VAL 120  -0.595   0.503  -0.496
  714    H    PHE 121           H        PHE 121   1.710   3.268  -4.854
  715    HA   PHE 121           HA       PHE 121   3.135   1.123  -6.230
  716   1HB   PHE 121          1HB       PHE 121   2.751   4.070  -6.726
  717   2HB   PHE 121          2HB       PHE 121   3.988   3.155  -7.553
  718    HD1  PHE 121           HD1      PHE 121   0.383   3.599  -7.110
  719    HD2  PHE 121           HD2      PHE 121   3.444   1.671  -9.348
  720    HE1  PHE 121           HE1      PHE 121  -1.282   2.904  -8.781
  721    HE2  PHE 121           HE2      PHE 121   1.783   0.977 -11.027
  722    HZ   PHE 121           HZ       PHE 121  -0.546   1.668 -10.808
  723    H    VAL 122           H        VAL 122   4.865   0.487  -5.018
  724    HA   VAL 122           HA       VAL 122   6.550   2.631  -3.921
  725    HB   VAL 122           HB       VAL 122   7.532   1.008  -2.600
  726   1HG1  VAL 122          1HG1      VAL 122   5.644   0.991  -1.028
  727   2HG1  VAL 122          2HG1      VAL 122   4.571   1.497  -2.334
  728   3HG1  VAL 122          3HG1      VAL 122   5.863   2.566  -1.790
  729   1HG2  VAL 122          1HG2      VAL 122   6.968  -1.012  -3.790
  730   2HG2  VAL 122          2HG2      VAL 122   5.249  -0.698  -3.558
  731   3HG2  VAL 122          3HG2      VAL 122   6.275  -1.050  -2.169
  732    H    LYS 123           H        LYS 123   8.606   2.821  -4.476
  733    HA   LYS 123           HA       LYS 123  10.011   0.714  -5.882
  734   1HB   LYS 123          1HB       LYS 123   9.554   3.436  -7.123
  735   2HB   LYS 123          2HB       LYS 123  10.689   2.242  -7.730
  736   1HG   LYS 123          1HG       LYS 123   8.788   0.712  -8.140
  737   2HG   LYS 123          2HG       LYS 123   7.689   1.997  -7.634
  738   1HD   LYS 123          1HD       LYS 123   7.805   2.007 -10.032
  739   2HD   LYS 123          2HD       LYS 123   8.646   3.437  -9.429
  740   1HE   LYS 123          1HE       LYS 123  10.788   2.197  -9.650
  741   2HE   LYS 123          2HE       LYS 123   9.901   0.867 -10.391
  742   1HZ   LYS 123          1HZ       LYS 123  10.806   2.162 -12.126
  743   2HZ   LYS 123          2HZ       LYS 123  10.255   3.617 -11.446
  744   3HZ   LYS 123          3HZ       LYS 123   9.145   2.513 -12.103
  745    H    ARG 124           H        ARG 124  12.210   0.834  -5.519
  746    HA   ARG 124           HA       ARG 124  13.022   2.946  -3.688
  747   1HB   ARG 124          1HB       ARG 124  15.240   1.473  -3.796
  748   2HB   ARG 124          2HB       ARG 124  13.888   1.080  -2.749
  749   1HG   ARG 124          1HG       ARG 124  13.065  -0.468  -4.524
  750   2HG   ARG 124          2HG       ARG 124  14.573  -0.166  -5.395
  751   1HD   ARG 124          1HD       ARG 124  15.875  -1.132  -3.688
  752   2HD   ARG 124          2HD       ARG 124  14.540  -1.098  -2.539
  753    HE   ARG 124           HE       ARG 124  14.296  -2.786  -4.924
  754   1HH1  ARG 124          1HH1      ARG 124  14.860  -2.540  -1.470
  755   2HH1  ARG 124          2HH1      ARG 124  14.426  -4.196  -1.150
  756   1HH2  ARG 124          1HH2      ARG 124  13.715  -4.975  -4.508
  757   2HH2  ARG 124          2HH2      ARG 124  13.768  -5.574  -2.876
  758    H    VAL 125           H        VAL 125  13.272   4.728  -4.853
  759    HA   VAL 125           HA       VAL 125  15.600   5.078  -6.428
  760    HB   VAL 125           HB       VAL 125  14.298   3.993  -7.927
  761   1HG1  VAL 125          1HG1      VAL 125  12.241   4.978  -8.793
  762   2HG1  VAL 125          2HG1      VAL 125  12.310   6.220  -7.542
  763   3HG1  VAL 125          3HG1      VAL 125  12.078   4.528  -7.096
  764   1HG2  VAL 125          1HG2      VAL 125  15.853   5.651  -8.708
  765   2HG2  VAL 125          2HG2      VAL 125  14.640   6.916  -8.507
  766   3HG2  VAL 125          3HG2      VAL 125  14.403   5.649  -9.711
  767    H2   HC4 169           H2       HC4 169  -1.254  -2.529  17.196
  768    H3   HC4 169           H3       HC4 169  -0.929  -1.212  18.881
  769    H2'  HC4 169           H2'      HC4 169  -1.384   0.062  20.876
  770    H3'  HC4 169           H3'      HC4 169  -2.877   1.003  22.580
  771    H5'  HC4 169           H5'      HC4 169  -6.137  -1.151  20.889
  772    H6'  HC4 169           H6'      HC4 169  -4.649  -2.029  19.150
  773   'HO4  HC4 169          'HO4      HC4 169  -5.964  -0.241  23.180
  Start of MODEL    8
    1    H    LEU  26           H        LEU  26   7.692 -11.153  -0.279
    2    HA   LEU  26           HA       LEU  26   6.054  -9.433   0.202
    3   1HB   LEU  26          1HB       LEU  26   8.430  -9.123   0.783
    4   2HB   LEU  26          2HB       LEU  26   8.717  -8.399  -0.787
    5    HG   LEU  26           HG       LEU  26   7.164  -6.554  -0.184
    6   1HD1  LEU  26          1HD1      LEU  26   7.194  -7.846   2.541
    7   2HD1  LEU  26          2HD1      LEU  26   5.808  -7.750   1.454
    8   3HD1  LEU  26          3HD1      LEU  26   6.491  -6.277   2.142
    9   1HD2  LEU  26          1HD2      LEU  26   9.566  -6.289   0.102
   10   2HD2  LEU  26          2HD2      LEU  26   9.466  -6.994   1.716
   11   3HD2  LEU  26          3HD2      LEU  26   8.689  -5.447   1.380
   12    H    ALA  27           H        ALA  27   4.543  -8.121  -0.625
   13    HA   ALA  27           HA       ALA  27   4.195  -7.739  -3.386
   14   1HB   ALA  27          1HB       ALA  27   2.347  -7.621  -1.790
   15   2HB   ALA  27          2HB       ALA  27   2.437  -6.153  -2.762
   16   3HB   ALA  27          3HB       ALA  27   3.029  -6.148  -1.101
   17    H    PHE  28           H        PHE  28   5.258  -6.443  -4.737
   18    HA   PHE  28           HA       PHE  28   6.325  -3.908  -3.735
   19   1HB   PHE  28          1HB       PHE  28   8.098  -5.705  -3.596
   20   2HB   PHE  28          2HB       PHE  28   8.005  -5.836  -5.350
   21    HD1  PHE  28           HD1      PHE  28   9.115  -4.305  -6.749
   22    HD2  PHE  28           HD2      PHE  28   8.857  -3.558  -2.567
   23    HE1  PHE  28           HE1      PHE  28  10.749  -2.478  -6.980
   24    HE2  PHE  28           HE2      PHE  28  10.490  -1.732  -2.790
   25    HZ   PHE  28           HZ       PHE  28  11.440  -1.193  -4.985
   26    H    GLY  29           H        GLY  29   6.703  -2.347  -5.367
   27   1HA   GLY  29          1HA       GLY  29   6.649  -1.493  -7.547
   28   2HA   GLY  29          2HA       GLY  29   5.966  -3.014  -8.106
   29    H    ALA  30           H        ALA  30   3.836  -3.101  -8.477
   30    HA   ALA  30           HA       ALA  30   2.279  -0.744  -7.640
   31   1HB   ALA  30          1HB       ALA  30   1.823  -2.423 -10.119
   32   2HB   ALA  30          2HB       ALA  30   2.761  -0.927 -10.083
   33   3HB   ALA  30          3HB       ALA  30   1.041  -0.899  -9.691
   34    H    ILE  31           H        ILE  31   1.038  -1.339  -5.991
   35    HA   ILE  31           HA       ILE  31  -0.848  -3.501  -6.507
   36    HB   ILE  31           HB       ILE  31   0.646  -4.411  -5.203
   37   1HG1  ILE  31          1HG1      ILE  31  -1.865  -3.660  -3.768
   38   2HG1  ILE  31          2HG1      ILE  31  -1.551  -5.070  -4.773
   39   1HG2  ILE  31          1HG2      ILE  31   1.747  -2.464  -4.266
   40   2HG2  ILE  31          2HG2      ILE  31   1.221  -3.545  -2.976
   41   3HG2  ILE  31          3HG2      ILE  31   0.301  -2.082  -3.329
   42   1HD1  ILE  31          1HD1      ILE  31  -1.578  -5.639  -2.409
   43   2HD1  ILE  31          2HD1      ILE  31  -0.258  -4.504  -2.121
   44   3HD1  ILE  31          3HD1      ILE  31   0.006  -5.928  -3.129
   45    H    GLN  32           H        GLN  32  -2.889  -3.118  -5.819
   46    HA   GLN  32           HA       GLN  32  -3.289  -0.503  -4.547
   47   1HB   GLN  32          1HB       GLN  32  -5.357  -0.215  -5.695
   48   2HB   GLN  32          2HB       GLN  32  -4.125  -0.614  -6.879
   49   1HG   GLN  32          1HG       GLN  32  -5.089  -2.567  -7.440
   50   2HG   GLN  32          2HG       GLN  32  -5.728  -2.857  -5.816
   51   1HE2  GLN  32          1HE2      GLN  32  -6.272  -1.364  -8.891
   52   2HE2  GLN  32          2HE2      GLN  32  -7.922  -0.927  -8.620
   53    H    LEU  33           H        LEU  33  -4.680  -0.292  -2.916
   54    HA   LEU  33           HA       LEU  33  -5.983  -2.749  -1.947
   55   1HB   LEU  33          1HB       LEU  33  -5.606  -1.823   0.375
   56   2HB   LEU  33          2HB       LEU  33  -4.199  -2.459  -0.447
   57    HG   LEU  33           HG       LEU  33  -3.711  -0.005  -1.081
   58   1HD1  LEU  33          1HD1      LEU  33  -4.555   1.640   0.515
   59   2HD1  LEU  33          2HD1      LEU  33  -5.603   0.412   1.225
   60   3HD1  LEU  33          3HD1      LEU  33  -5.856   0.934  -0.442
   61   1HD2  LEU  33          1HD2      LEU  33  -2.564   0.355   1.060
   62   2HD2  LEU  33          2HD2      LEU  33  -2.352  -1.287   0.449
   63   3HD2  LEU  33          3HD2      LEU  33  -3.488  -0.974   1.760
   64    H    ASP  34           H        ASP  34  -7.889  -2.370  -0.662
   65    HA   ASP  34           HA       ASP  34  -9.448  -0.245  -1.865
   66   1HB   ASP  34          1HB       ASP  34 -11.360  -1.205  -0.601
   67   2HB   ASP  34          2HB       ASP  34 -10.551  -2.372  -1.640
   68    H    GLY  35           H        GLY  35 -10.755   1.216  -0.636
   69   1HA   GLY  35          1HA       GLY  35  -9.180   2.555   1.365
   70   2HA   GLY  35          2HA       GLY  35 -10.740   3.074   0.739
   71    H    ASP  36           H        ASP  36 -10.435  -0.128   1.876
   72    HA   ASP  36           HA       ASP  36 -12.103   0.507   4.208
   73   1HB   ASP  36          1HB       ASP  36 -12.966  -1.016   2.365
   74   2HB   ASP  36          2HB       ASP  36 -11.720  -2.164   2.843
   75    H    GLY  37           H        GLY  37  -9.235  -1.126   3.052
   76   1HA   GLY  37          1HA       GLY  37  -7.355  -0.821   4.721
   77   2HA   GLY  37          2HA       GLY  37  -8.434  -1.632   5.847
   78    H    ASN  38           H        ASN  38  -8.711  -2.814   2.685
   79    HA   ASN  38           HA       ASN  38  -7.023  -5.139   3.406
   80   1HB   ASN  38          1HB       ASN  38  -9.409  -5.330   1.585
   81   2HB   ASN  38          2HB       ASN  38  -8.637  -6.596   2.533
   82   1HD2  ASN  38          1HD2      ASN  38 -10.822  -3.910   2.572
   83   2HD2  ASN  38          2HD2      ASN  38 -11.546  -4.244   4.111
   84    H    ILE  39           H        ILE  39  -6.003  -6.226   1.644
   85    HA   ILE  39           HA       ILE  39  -5.183  -4.515  -0.486
   86    HB   ILE  39           HB       ILE  39  -4.967  -7.350  -0.062
   87   1HG1  ILE  39          1HG1      ILE  39  -3.835  -6.046   1.610
   88   2HG1  ILE  39          2HG1      ILE  39  -2.659  -6.748   0.510
   89   1HG2  ILE  39          1HG2      ILE  39  -4.822  -6.838  -2.450
   90   2HG2  ILE  39          2HG2      ILE  39  -3.232  -7.240  -1.803
   91   3HG2  ILE  39          3HG2      ILE  39  -3.658  -5.557  -2.113
   92   1HD1  ILE  39          1HD1      ILE  39  -3.631  -3.902   0.440
   93   2HD1  ILE  39          2HD1      ILE  39  -2.419  -4.617  -0.625
   94   3HD1  ILE  39          3HD1      ILE  39  -2.094  -4.456   1.100
   95    H    LEU  40           H        LEU  40  -5.867  -4.461  -2.592
   96    HA   LEU  40           HA       LEU  40  -8.510  -5.668  -3.006
   97   1HB   LEU  40          1HB       LEU  40  -8.061  -3.130  -3.052
   98   2HB   LEU  40          2HB       LEU  40  -7.274  -3.427  -4.584
   99    HG   LEU  40           HG       LEU  40  -9.507  -2.602  -4.929
  100   1HD1  LEU  40          1HD1      LEU  40 -10.432  -4.326  -6.381
  101   2HD1  LEU  40          2HD1      LEU  40  -9.347  -5.515  -5.661
  102   3HD1  LEU  40          3HD1      LEU  40  -8.687  -4.165  -6.585
  103   1HD2  LEU  40          1HD2      LEU  40 -10.437  -4.985  -3.338
  104   2HD2  LEU  40          2HD2      LEU  40 -11.485  -3.880  -4.226
  105   3HD2  LEU  40          3HD2      LEU  40 -10.542  -3.293  -2.859
  106    H    GLN  41           H        GLN  41  -5.762  -4.611  -4.958
  107    HA   GLN  41           HA       GLN  41  -5.787  -7.172  -6.373
  108   1HB   GLN  41          1HB       GLN  41  -7.365  -5.788  -7.618
  109   2HB   GLN  41          2HB       GLN  41  -6.163  -4.515  -7.765
  110   1HG   GLN  41          1HG       GLN  41  -4.787  -5.916  -9.162
  111   2HG   GLN  41          2HG       GLN  41  -5.886  -7.276  -8.936
  112   1HE2  GLN  41          1HE2      GLN  41  -8.272  -5.625  -9.110
  113   2HE2  GLN  41          2HE2      GLN  41  -8.448  -5.202 -10.776
  114    H    TYR  42           H        TYR  42  -3.830  -7.807  -7.028
  115    HA   TYR  42           HA       TYR  42  -1.596  -5.920  -6.702
  116   1HB   TYR  42          1HB       TYR  42  -1.612  -7.771  -5.071
  117   2HB   TYR  42          2HB       TYR  42  -1.633  -8.933  -6.389
  118    HD1  TYR  42           HD1      TYR  42   0.370  -9.977  -6.796
  119    HD2  TYR  42           HD2      TYR  42   0.422  -5.965  -5.389
  120    HE1  TYR  42           HE1      TYR  42   2.828  -9.999  -6.846
  121    HE2  TYR  42           HE2      TYR  42   2.883  -5.973  -5.436
  122    HH   TYR  42           HH       TYR  42   4.731  -7.514  -5.423
  123    H    ASN  43           H        ASN  43  -0.632  -5.357  -8.553
  124    HA   ASN  43           HA       ASN  43  -0.781  -7.240 -10.804
  125   1HB   ASN  43          1HB       ASN  43  -0.338  -4.949 -12.114
  126   2HB   ASN  43          2HB       ASN  43  -1.957  -5.538 -11.753
  127   1HD2  ASN  43          1HD2      ASN  43  -3.121  -4.560 -10.064
  128   2HD2  ASN  43          2HD2      ASN  43  -2.711  -2.983  -9.489
  129    H    ALA  44           H        ALA  44   1.079  -8.257 -10.794
  130    HA   ALA  44           HA       ALA  44   3.542  -6.959 -10.084
  131   1HB   ALA  44          1HB       ALA  44   4.573  -9.119 -10.534
  132   2HB   ALA  44          2HB       ALA  44   3.067  -9.702 -11.244
  133   3HB   ALA  44          3HB       ALA  44   3.137  -9.308  -9.526
  134    H    ALA  45           H        ALA  45   4.292  -5.489 -11.471
  135    HA   ALA  45           HA       ALA  45   3.985  -5.466 -14.243
  136   1HB   ALA  45          1HB       ALA  45   6.254  -4.275 -12.648
  137   2HB   ALA  45          2HB       ALA  45   4.688  -3.513 -12.920
  138   3HB   ALA  45          3HB       ALA  45   5.766  -3.819 -14.280
  139    H    GLU  46           H        GLU  46   4.953  -6.501 -15.855
  140    HA   GLU  46           HA       GLU  46   6.436  -8.821 -15.339
  141   1HB   GLU  46          1HB       GLU  46   6.153  -7.374 -17.970
  142   2HB   GLU  46          2HB       GLU  46   6.667  -9.040 -17.756
  143   1HG   GLU  46          1HG       GLU  46   4.490  -9.376 -18.283
  144   2HG   GLU  46          2HG       GLU  46   4.349  -9.243 -16.531
  145    H    GLY  47           H        GLY  47   8.233  -8.170 -14.119
  146   1HA   GLY  47          1HA       GLY  47  10.471  -7.282 -15.834
  147   2HA   GLY  47          2HA       GLY  47  10.428  -7.062 -14.084
  148    H    ASP  48           H        ASP  48   9.070  -9.905 -15.304
  149    HA   ASP  48           HA       ASP  48  11.402 -11.480 -14.432
  150   1HB   ASP  48          1HB       ASP  48   8.473 -12.142 -14.018
  151   2HB   ASP  48          2HB       ASP  48   9.838 -13.135 -13.519
  152    H    ILE  49           H        ILE  49  11.659 -13.507 -15.445
  153    HA   ILE  49           HA       ILE  49  10.687 -13.535 -18.195
  154    HB   ILE  49           HB       ILE  49  12.364 -15.444 -16.851
  155   1HG1  ILE  49          1HG1      ILE  49  13.068 -12.876 -18.278
  156   2HG1  ILE  49          2HG1      ILE  49  13.282 -13.198 -16.560
  157   1HG2  ILE  49          1HG2      ILE  49  13.126 -15.817 -19.162
  158   2HG2  ILE  49          2HG2      ILE  49  11.932 -14.650 -19.734
  159   3HG2  ILE  49          3HG2      ILE  49  11.404 -16.155 -18.983
  160   1HD1  ILE  49          1HD1      ILE  49  14.684 -14.604 -18.821
  161   2HD1  ILE  49          2HD1      ILE  49  14.886 -14.964 -17.105
  162   3HD1  ILE  49          3HD1      ILE  49  15.379 -13.394 -17.743
  163    H    THR  50           H        THR  50   8.485 -13.868 -17.359
  164    HA   THR  50           HA       THR  50   7.799 -16.673 -17.430
  165    HB   THR  50           HB       THR  50   8.181 -16.207 -15.221
  166    HG1  THR  50           HG1      THR  50   6.597 -17.567 -14.940
  167   1HG2  THR  50          1HG2      THR  50   6.003 -14.162 -15.550
  168   2HG2  THR  50          2HG2      THR  50   7.676 -13.863 -15.087
  169   3HG2  THR  50          3HG2      THR  50   6.608 -14.754 -14.003
  170    H    GLY  51           H        GLY  51   5.258 -16.819 -17.333
  171   1HA   GLY  51          1HA       GLY  51   4.244 -15.097 -19.380
  172   2HA   GLY  51          2HA       GLY  51   3.333 -16.322 -18.508
  173    H    ARG  52           H        ARG  52   2.434 -15.771 -16.452
  174    HA   ARG  52           HA       ARG  52   2.380 -12.893 -15.837
  175   1HB   ARG  52          1HB       ARG  52   0.097 -14.859 -15.555
  176   2HB   ARG  52          2HB       ARG  52   0.085 -13.220 -14.928
  177   1HG   ARG  52          1HG       ARG  52   0.086 -14.106 -17.795
  178   2HG   ARG  52          2HG       ARG  52  -1.161 -13.209 -16.927
  179   1HD   ARG  52          1HD       ARG  52   1.537 -12.261 -17.839
  180   2HD   ARG  52          2HD       ARG  52  -0.047 -11.633 -18.281
  181    HE   ARG  52           HE       ARG  52   0.532 -11.384 -15.476
  182   1HH1  ARG  52          1HH1      ARG  52   0.763  -9.883 -18.626
  183   2HH1  ARG  52          2HH1      ARG  52   1.205  -8.329 -17.993
  184   1HH2  ARG  52          1HH2      ARG  52   1.107  -9.335 -14.638
  185   2HH2  ARG  52          2HH2      ARG  52   1.420  -8.022 -15.730
  186    H    ASP  53           H        ASP  53   1.794 -12.495 -13.507
  187    HA   ASP  53           HA       ASP  53   2.674 -14.714 -11.782
  188   1HB   ASP  53          1HB       ASP  53   4.422 -12.908 -12.028
  189   2HB   ASP  53          2HB       ASP  53   3.286 -11.794 -11.274
  190    HA   PRO  54           HA       PRO  54  -1.375 -13.295 -10.301
  191   1HB   PRO  54          1HB       PRO  54  -2.644 -15.636 -10.451
  192   2HB   PRO  54          2HB       PRO  54  -2.258 -14.712 -11.907
  193   1HG   PRO  54          1HG       PRO  54  -1.023 -17.191 -10.865
  194   2HG   PRO  54          2HG       PRO  54  -1.131 -16.605 -12.532
  195   1HD   PRO  54          1HD       PRO  54   1.077 -16.381 -10.710
  196   2HD   PRO  54          2HD       PRO  54   0.971 -15.778 -12.376
  197    H    LYS  55           H        LYS  55   1.005 -14.385  -8.652
  198    HA   LYS  55           HA       LYS  55  -0.587 -15.563  -6.467
  199   1HB   LYS  55          1HB       LYS  55   1.388 -16.664  -5.677
  200   2HB   LYS  55          2HB       LYS  55   1.249 -16.995  -7.397
  201   1HG   LYS  55          1HG       LYS  55   2.901 -15.172  -7.809
  202   2HG   LYS  55          2HG       LYS  55   3.128 -15.058  -6.062
  203   1HD   LYS  55          1HD       LYS  55   4.862 -16.461  -6.858
  204   2HD   LYS  55          2HD       LYS  55   3.679 -17.533  -6.105
  205   1HE   LYS  55          1HE       LYS  55   4.297 -18.561  -8.146
  206   2HE   LYS  55          2HE       LYS  55   2.700 -17.866  -8.406
  207   1HZ   LYS  55          1HZ       LYS  55   3.869 -15.896  -9.385
  208   2HZ   LYS  55          2HZ       LYS  55   4.002 -17.329 -10.285
  209   3HZ   LYS  55          3HZ       LYS  55   5.302 -16.802  -9.335
  210    H    GLN  56           H        GLN  56   0.275 -15.007  -4.256
  211    HA   GLN  56           HA       GLN  56   0.808 -13.516  -2.634
  212   1HB   GLN  56          1HB       GLN  56   2.978 -13.439  -3.818
  213   2HB   GLN  56          2HB       GLN  56   2.378 -12.122  -4.813
  214   1HG   GLN  56          1HG       GLN  56   2.224 -10.684  -2.887
  215   2HG   GLN  56          2HG       GLN  56   2.685 -12.015  -1.822
  216   1HE2  GLN  56          1HE2      GLN  56   3.790  -9.840  -4.326
  217   2HE2  GLN  56          2HE2      GLN  56   5.481 -10.043  -4.027
  218    H    VAL  57           H        VAL  57  -1.499 -13.221  -4.463
  219    HA   VAL  57           HA       VAL  57  -1.976 -10.342  -4.501
  220    HB   VAL  57           HB       VAL  57  -3.759 -12.494  -5.158
  221   1HG1  VAL  57          1HG1      VAL  57  -4.712 -10.725  -6.629
  222   2HG1  VAL  57          2HG1      VAL  57  -3.649  -9.561  -5.836
  223   3HG1  VAL  57          3HG1      VAL  57  -4.893 -10.396  -4.906
  224   1HG2  VAL  57          1HG2      VAL  57  -1.760 -11.077  -6.889
  225   2HG2  VAL  57          2HG2      VAL  57  -3.022 -12.169  -7.456
  226   3HG2  VAL  57          3HG2      VAL  57  -1.726 -12.778  -6.427
  227    H    ILE  58           H        ILE  58  -3.832  -9.411  -3.429
  228    HA   ILE  58           HA       ILE  58  -4.800  -8.884  -1.445
  229    HB   ILE  58           HB       ILE  58  -6.597 -10.243  -0.913
  230   1HG1  ILE  58          1HG1      ILE  58  -5.652 -11.886  -3.267
  231   2HG1  ILE  58          2HG1      ILE  58  -5.766 -12.440  -1.601
  232   1HG2  ILE  58          1HG2      ILE  58  -6.740  -8.383  -2.426
  233   2HG2  ILE  58          2HG2      ILE  58  -7.727  -9.708  -3.042
  234   3HG2  ILE  58          3HG2      ILE  58  -6.151  -9.376  -3.759
  235   1HD1  ILE  58          1HD1      ILE  58  -8.070 -11.580  -3.335
  236   2HD1  ILE  58          2HD1      ILE  58  -8.186 -12.140  -1.665
  237   3HD1  ILE  58          3HD1      ILE  58  -7.632 -13.240  -2.930
  238    H    GLY  59           H        GLY  59  -2.721  -9.336  -0.434
  239   1HA   GLY  59          1HA       GLY  59  -2.476 -11.672   1.211
  240   2HA   GLY  59          2HA       GLY  59  -1.428 -10.261   1.246
  241    H    LYS  60           H        LYS  60  -3.735  -8.438   1.652
  242    HA   LYS  60           HA       LYS  60  -4.034  -8.960   4.524
  243   1HB   LYS  60          1HB       LYS  60  -2.821  -6.914   3.952
  244   2HB   LYS  60          2HB       LYS  60  -4.173  -6.395   2.952
  245   1HG   LYS  60          1HG       LYS  60  -5.596  -6.264   4.912
  246   2HG   LYS  60          2HG       LYS  60  -4.265  -6.820   5.914
  247   1HD   LYS  60          1HD       LYS  60  -4.260  -4.286   4.291
  248   2HD   LYS  60          2HD       LYS  60  -4.609  -4.388   6.020
  249   1HE   LYS  60          1HE       LYS  60  -2.025  -5.244   4.711
  250   2HE   LYS  60          2HE       LYS  60  -2.275  -3.708   5.533
  251   1HZ   LYS  60          1HZ       LYS  60  -1.176  -5.343   6.949
  252   2HZ   LYS  60          2HZ       LYS  60  -2.508  -6.386   6.808
  253   3HZ   LYS  60          3HZ       LYS  60  -2.682  -4.889   7.589
  254    H    ASN  61           H        ASN  61  -6.014  -9.185   5.380
  255    HA   ASN  61           HA       ASN  61  -8.313  -7.922   4.205
  256   1HB   ASN  61          1HB       ASN  61  -8.220 -10.010   2.888
  257   2HB   ASN  61          2HB       ASN  61  -8.236 -10.944   4.381
  258   1HD2  ASN  61          1HD2      ASN  61 -10.148 -11.151   5.537
  259   2HD2  ASN  61          2HD2      ASN  61 -11.686 -10.686   4.887
  260    H    PHE  62           H        PHE  62  -8.742  -6.884   6.090
  261    HA   PHE  62           HA       PHE  62  -8.649  -8.006   8.658
  262   1HB   PHE  62          1HB       PHE  62 -10.162  -5.692   7.487
  263   2HB   PHE  62          2HB       PHE  62 -10.374  -6.152   9.173
  264    HD1  PHE  62           HD1      PHE  62  -8.379  -4.350   6.825
  265    HD2  PHE  62           HD2      PHE  62  -8.310  -6.194  10.660
  266    HE1  PHE  62           HE1      PHE  62  -6.378  -3.043   7.413
  267    HE2  PHE  62           HE2      PHE  62  -6.314  -4.885  11.255
  268    HZ   PHE  62           HZ       PHE  62  -5.382  -3.270   9.664
  269    H    PHE  63           H        PHE  63  -9.725  -9.743   9.292
  270    HA   PHE  63           HA       PHE  63 -12.546 -10.014   8.501
  271   1HB   PHE  63          1HB       PHE  63 -11.193 -11.718   7.394
  272   2HB   PHE  63          2HB       PHE  63 -10.509 -12.210   8.939
  273    HD1  PHE  63           HD1      PHE  63 -11.531 -13.878  10.198
  274    HD2  PHE  63           HD2      PHE  63 -13.714 -11.969   7.085
  275    HE1  PHE  63           HE1      PHE  63 -13.358 -15.498  10.489
  276    HE2  PHE  63           HE2      PHE  63 -15.544 -13.587   7.370
  277    HZ   PHE  63           HZ       PHE  63 -15.339 -15.390   9.051
  278    H    LYS  64           H        LYS  64 -10.205 -11.151  10.934
  279    HA   LYS  64           HA       LYS  64 -12.381 -11.227  12.888
  280   1HB   LYS  64          1HB       LYS  64 -10.725 -12.550  14.268
  281   2HB   LYS  64          2HB       LYS  64 -11.274 -13.325  12.789
  282   1HG   LYS  64          1HG       LYS  64  -9.187 -12.619  11.683
  283   2HG   LYS  64          2HG       LYS  64  -8.644 -11.924  13.208
  284   1HD   LYS  64          1HD       LYS  64  -9.309 -14.828  12.739
  285   2HD   LYS  64          2HD       LYS  64  -7.684 -14.148  12.820
  286   1HE   LYS  64          1HE       LYS  64  -8.163 -13.395  15.130
  287   2HE   LYS  64          2HE       LYS  64  -9.734 -14.187  15.032
  288   1HZ   LYS  64          1HZ       LYS  64  -8.609 -16.305  14.709
  289   2HZ   LYS  64          2HZ       LYS  64  -8.116 -15.576  16.154
  290   3HZ   LYS  64          3HZ       LYS  64  -7.097 -15.538  14.799
  291    H    ASP  65           H        ASP  65 -12.567  -9.679  14.324
  292    HA   ASP  65           HA       ASP  65 -10.469  -7.660  14.503
  293   1HB   ASP  65          1HB       ASP  65 -12.137  -6.244  15.517
  294   2HB   ASP  65          2HB       ASP  65 -12.852  -7.018  14.109
  295    H    VAL  66           H        VAL  66 -10.156 -10.272  15.756
  296    HA   VAL  66           HA       VAL  66 -10.523 -10.258  18.510
  297    HB   VAL  66           HB       VAL  66  -9.901 -12.046  17.236
  298   1HG1  VAL  66          1HG1      VAL  66  -7.575 -12.391  16.610
  299   2HG1  VAL  66          2HG1      VAL  66  -7.186 -10.752  17.129
  300   3HG1  VAL  66          3HG1      VAL  66  -8.267 -11.006  15.758
  301   1HG2  VAL  66          1HG2      VAL  66  -8.342 -12.992  18.851
  302   2HG2  VAL  66          2HG2      VAL  66  -9.652 -12.107  19.632
  303   3HG2  VAL  66          3HG2      VAL  66  -8.050 -11.380  19.504
  304    H    ALA  67           H        ALA  67  -8.175  -8.624  16.541
  305    HA   ALA  67           HA       ALA  67  -6.620  -7.040  16.936
  306   1HB   ALA  67          1HB       ALA  67  -8.260  -5.993  18.426
  307   2HB   ALA  67          2HB       ALA  67  -6.609  -5.776  19.009
  308   3HB   ALA  67          3HB       ALA  67  -7.663  -6.973  19.767
  309    HA   PRO  68           HA       PRO  68  -3.662 -10.207  18.312
  310   1HB   PRO  68          1HB       PRO  68  -1.925  -8.626  16.523
  311   2HB   PRO  68          2HB       PRO  68  -2.273 -10.358  16.507
  312   1HG   PRO  68          1HG       PRO  68  -3.258  -8.715  14.631
  313   2HG   PRO  68          2HG       PRO  68  -4.186 -10.098  15.241
  314   1HD   PRO  68          1HD       PRO  68  -4.443  -7.195  15.916
  315   2HD   PRO  68          2HD       PRO  68  -5.714  -8.408  15.657
  316    H    CYS  69           H        CYS  69  -1.914 -10.043  19.727
  317    HA   CYS  69           HA       CYS  69  -1.748  -7.606  21.205
  318   1HB   CYS  69          1HB       CYS  69   0.128  -9.964  21.414
  319   2HB   CYS  69          2HB       CYS  69  -0.215  -8.755  22.646
  320    H    THR  70           H        THR  70  -0.059  -8.970  18.546
  321    HA   THR  70           HA       THR  70   1.620  -6.571  18.454
  322    HB   THR  70           HB       THR  70   2.460  -9.183  17.610
  323    HG1  THR  70           HG1      THR  70   2.458  -7.891  20.098
  324   1HG2  THR  70          1HG2      THR  70   3.537  -7.273  16.528
  325   2HG2  THR  70          2HG2      THR  70   4.640  -8.098  17.630
  326   3HG2  THR  70          3HG2      THR  70   3.887  -6.579  18.113
  327    H    ASP  71           H        ASP  71   1.564  -5.582  16.521
  328    HA   ASP  71           HA       ASP  71   1.271  -7.000  14.056
  329   1HB   ASP  71          1HB       ASP  71  -0.806  -6.115  13.301
  330   2HB   ASP  71          2HB       ASP  71  -1.126  -6.775  14.900
  331    H    SER  72           H        SER  72   1.594  -5.540  12.212
  332    HA   SER  72           HA       SER  72   2.622  -2.909  12.959
  333   1HB   SER  72          1HB       SER  72   4.724  -3.487  11.573
  334   2HB   SER  72          2HB       SER  72   4.607  -4.131  13.210
  335    HG   SER  72           HG       SER  72   3.488  -5.744  11.280
  336    HA   PRO  73           HA       PRO  73   0.699  -2.465   8.836
  337   1HB   PRO  73          1HB       PRO  73  -0.547  -0.075   9.831
  338   2HB   PRO  73          2HB       PRO  73  -1.321  -1.589   9.358
  339   1HG   PRO  73          1HG       PRO  73  -1.215  -0.618  11.940
  340   2HG   PRO  73          2HG       PRO  73  -1.465  -2.318  11.512
  341   1HD   PRO  73          1HD       PRO  73   1.026  -0.932  12.405
  342   2HD   PRO  73          2HD       PRO  73   0.441  -2.565  12.793
  343    H    GLU  74           H        GLU  74   2.466  -1.805   7.723
  344    HA   GLU  74           HA       GLU  74   3.655   0.799   8.407
  345   1HB   GLU  74          1HB       GLU  74   5.096  -1.264   8.589
  346   2HB   GLU  74          2HB       GLU  74   4.917  -1.473   6.856
  347   1HG   GLU  74          1HG       GLU  74   7.048  -0.426   7.498
  348   2HG   GLU  74          2HG       GLU  74   6.073   0.581   6.428
  349    H    PHE  75           H        PHE  75   4.669   1.903   6.458
  350    HA   PHE  75           HA       PHE  75   4.626   2.789   4.372
  351   1HB   PHE  75          1HB       PHE  75   2.972   0.353   3.749
  352   2HB   PHE  75          2HB       PHE  75   3.291   1.598   2.545
  353    HD1  PHE  75           HD1      PHE  75   4.605  -1.245   4.328
  354    HD2  PHE  75           HD2      PHE  75   5.641   2.058   1.849
  355    HE1  PHE  75           HE1      PHE  75   6.756  -2.321   3.802
  356    HE2  PHE  75           HE2      PHE  75   7.791   0.989   1.319
  357    HZ   PHE  75           HZ       PHE  75   8.371  -1.168   2.306
  358    H    TYR  76           H        TYR  76   2.587   3.231   6.536
  359    HA   TYR  76           HA       TYR  76   0.295   4.335   5.239
  360   1HB   TYR  76          1HB       TYR  76   1.437   4.263   7.944
  361   2HB   TYR  76          2HB       TYR  76   0.634   5.782   7.571
  362    HD1  TYR  76           HD1      TYR  76   0.107   2.108   7.515
  363    HD2  TYR  76           HD2      TYR  76  -1.698   5.949   7.811
  364    HE1  TYR  76           HE1      TYR  76  -2.055   1.045   7.997
  365    HE2  TYR  76           HE2      TYR  76  -3.868   4.895   8.297
  366    HH   TYR  76           HH       TYR  76  -4.965   2.606   7.813
  367    H    GLY  77           H        GLY  77   0.192   6.224   4.057
  368   1HA   GLY  77          1HA       GLY  77   2.436   8.117   4.447
  369   2HA   GLY  77          2HA       GLY  77   1.514   7.953   2.952
  370    H    LYS  78           H        LYS  78  -0.641   8.644   2.905
  371    HA   LYS  78           HA       LYS  78  -1.587  10.152   5.246
  372   1HB   LYS  78          1HB       LYS  78  -2.031  10.919   2.346
  373   2HB   LYS  78          2HB       LYS  78  -2.672  11.765   3.747
  374   1HG   LYS  78          1HG       LYS  78  -0.373  12.305   4.437
  375   2HG   LYS  78          2HG       LYS  78   0.227  11.519   2.975
  376   1HD   LYS  78          1HD       LYS  78   0.122  13.890   2.580
  377   2HD   LYS  78          2HD       LYS  78  -1.142  13.102   1.632
  378   1HE   LYS  78          1HE       LYS  78  -2.118  15.031   2.609
  379   2HE   LYS  78          2HE       LYS  78  -2.733  13.642   3.503
  380   1HZ   LYS  78          1HZ       LYS  78  -0.610  15.529   4.351
  381   2HZ   LYS  78          2HZ       LYS  78  -0.961  14.091   5.177
  382   3HZ   LYS  78          3HZ       LYS  78  -2.136  15.313   5.061
  383    H    PHE  79           H        PHE  79  -2.356   7.778   5.439
  384    HA   PHE  79           HA       PHE  79  -4.379   7.043   3.489
  385   1HB   PHE  79          1HB       PHE  79  -2.669   5.397   4.394
  386   2HB   PHE  79          2HB       PHE  79  -3.576   5.428   5.907
  387    HD1  PHE  79           HD1      PHE  79  -5.436   4.024   6.188
  388    HD2  PHE  79           HD2      PHE  79  -3.948   4.800   2.279
  389    HE1  PHE  79           HE1      PHE  79  -7.006   2.367   5.263
  390    HE2  PHE  79           HE2      PHE  79  -5.506   3.147   1.349
  391    HZ   PHE  79           HZ       PHE  79  -7.039   1.930   2.833
  392    H    LYS  80           H        LYS  80  -4.150   7.971   6.895
  393    HA   LYS  80           HA       LYS  80  -6.872   7.343   7.524
  394   1HB   LYS  80          1HB       LYS  80  -4.979   9.303   8.848
  395   2HB   LYS  80          2HB       LYS  80  -6.521   8.785   9.512
  396   1HG   LYS  80          1HG       LYS  80  -5.674   6.472   9.586
  397   2HG   LYS  80          2HG       LYS  80  -4.112   7.055   9.015
  398   1HD   LYS  80          1HD       LYS  80  -5.429   8.095  11.508
  399   2HD   LYS  80          2HD       LYS  80  -4.352   6.702  11.514
  400   1HE   LYS  80          1HE       LYS  80  -3.014   8.543  12.112
  401   2HE   LYS  80          2HE       LYS  80  -2.624   8.204  10.429
  402   1HZ   LYS  80          1HZ       LYS  80  -3.885  10.059   9.719
  403   2HZ   LYS  80          2HZ       LYS  80  -2.939  10.601  11.010
  404   3HZ   LYS  80          3HZ       LYS  80  -4.586  10.279  11.245
  405    H    GLU  81           H        GLU  81  -5.130   9.988   6.219
  406    HA   GLU  81           HA       GLU  81  -7.338  11.832   6.192
  407   1HB   GLU  81          1HB       GLU  81  -4.656  11.926   4.782
  408   2HB   GLU  81          2HB       GLU  81  -5.776  13.267   4.945
  409   1HG   GLU  81          1HG       GLU  81  -4.005  13.574   6.502
  410   2HG   GLU  81          2HG       GLU  81  -5.469  13.171   7.393
  411    H    GLY  82           H        GLY  82  -5.691   9.634   4.044
  412   1HA   GLY  82          1HA       GLY  82  -6.502  10.487   1.584
  413   2HA   GLY  82          2HA       GLY  82  -6.091   8.840   1.987
  414    H    VAL  83           H        VAL  83  -8.060   8.396   3.872
  415    HA   VAL  83           HA       VAL  83 -10.201   7.563   2.193
  416    HB   VAL  83           HB       VAL  83 -10.007   7.806   5.047
  417   1HG1  VAL  83          1HG1      VAL  83 -11.751   6.064   5.002
  418   2HG1  VAL  83          2HG1      VAL  83 -11.845   6.219   3.247
  419   3HG1  VAL  83          3HG1      VAL  83 -12.316   7.572   4.276
  420   1HG2  VAL  83          1HG2      VAL  83  -9.363   5.556   3.158
  421   2HG2  VAL  83          2HG2      VAL  83  -9.407   5.438   4.918
  422   3HG2  VAL  83          3HG2      VAL  83  -8.213   6.471   4.132
  423    H    ALA  84           H        ALA  84  -9.914  10.085   4.696
  424    HA   ALA  84           HA       ALA  84 -12.718  10.715   4.344
  425   1HB   ALA  84          1HB       ALA  84 -10.748  11.883   6.298
  426   2HB   ALA  84          2HB       ALA  84 -11.811  10.511   6.613
  427   3HB   ALA  84          3HB       ALA  84 -12.498  12.109   6.317
  428    H    SER  85           H        SER  85  -9.647  12.031   3.480
  429    HA   SER  85           HA       SER  85 -10.708  14.579   2.689
  430   1HB   SER  85          1HB       SER  85  -8.583  14.919   1.558
  431   2HB   SER  85          2HB       SER  85  -8.259  14.166   3.123
  432    HG   SER  85           HG       SER  85  -7.090  13.207   1.367
  433    H    GLY  86           H        GLY  86 -10.268  11.408   1.292
  434   1HA   GLY  86          1HA       GLY  86 -11.564  10.432  -0.370
  435   2HA   GLY  86          2HA       GLY  86 -12.307  11.999  -0.678
  436    H    ASN  87           H        ASN  87  -8.903  11.870  -0.495
  437    HA   ASN  87           HA       ASN  87  -8.535  11.555  -3.330
  438   1HB   ASN  87          1HB       ASN  87  -7.556  13.808  -3.701
  439   2HB   ASN  87          2HB       ASN  87  -9.275  13.850  -3.341
  440   1HD2  ASN  87          1HD2      ASN  87  -9.979  14.770  -1.431
  441   2HD2  ASN  87          2HD2      ASN  87  -8.948  15.734  -0.427
  442    H    LEU  88           H        LEU  88  -7.490  10.001  -1.503
  443    HA   LEU  88           HA       LEU  88  -4.869  10.641  -0.702
  444   1HB   LEU  88          1HB       LEU  88  -6.512   8.573  -0.249
  445   2HB   LEU  88          2HB       LEU  88  -5.456   7.854  -1.454
  446    HG   LEU  88           HG       LEU  88  -4.605   9.123   1.105
  447   1HD1  LEU  88          1HD1      LEU  88  -4.715   6.226   0.291
  448   2HD1  LEU  88          2HD1      LEU  88  -5.747   7.018   1.482
  449   3HD1  LEU  88          3HD1      LEU  88  -4.021   6.836   1.795
  450   1HD2  LEU  88          1HD2      LEU  88  -2.896   9.387  -0.587
  451   2HD2  LEU  88          2HD2      LEU  88  -2.976   7.666  -0.961
  452   3HD2  LEU  88          3HD2      LEU  88  -2.384   8.198   0.612
  453    H    ASN  89           H        ASN  89  -3.959  11.693  -2.585
  454    HA   ASN  89           HA       ASN  89  -2.637   9.676  -4.210
  455   1HB   ASN  89          1HB       ASN  89  -3.060  10.721  -6.318
  456   2HB   ASN  89          2HB       ASN  89  -4.608  10.499  -5.525
  457   1HD2  ASN  89          1HD2      ASN  89  -5.658  12.344  -4.628
  458   2HD2  ASN  89          2HD2      ASN  89  -5.321  13.931  -5.233
  459    H    THR  90           H        THR  90  -0.639   9.966  -3.371
  460    HA   THR  90           HA       THR  90   0.636  12.539  -3.871
  461    HB   THR  90           HB       THR  90   0.687  11.202  -1.317
  462    HG1  THR  90           HG1      THR  90  -1.136  12.823  -2.395
  463   1HG2  THR  90          1HG2      THR  90   1.802  13.842  -2.232
  464   2HG2  THR  90          2HG2      THR  90   2.750  12.398  -1.876
  465   3HG2  THR  90          3HG2      THR  90   1.844  13.201  -0.592
  466    H    MET  91           H        MET  91   2.842  12.337  -4.247
  467    HA   MET  91           HA       MET  91   3.967   9.643  -3.963
  468   1HB   MET  91          1HB       MET  91   5.941  10.613  -5.206
  469   2HB   MET  91          2HB       MET  91   4.446  10.524  -6.119
  470   1HG   MET  91          1HG       MET  91   4.066  12.897  -5.763
  471   2HG   MET  91          2HG       MET  91   5.523  12.993  -4.777
  472   1HE   MET  91          1HE       MET  91   7.978  12.678  -5.722
  473   2HE   MET  91          2HE       MET  91   8.328  12.253  -7.399
  474   3HE   MET  91          3HE       MET  91   7.503  11.098  -6.349
  475    H    PHE  92           H        PHE  92   4.956   9.207  -2.179
  476    HA   PHE  92           HA       PHE  92   6.154  11.400  -0.614
  477   1HB   PHE  92          1HB       PHE  92   4.045  10.577   0.373
  478   2HB   PHE  92          2HB       PHE  92   4.680   8.939   0.375
  479    HD1  PHE  92           HD1      PHE  92   4.904  12.252   1.934
  480    HD2  PHE  92           HD2      PHE  92   6.207   8.207   2.060
  481    HE1  PHE  92           HE1      PHE  92   5.790  12.612   4.202
  482    HE2  PHE  92           HE2      PHE  92   7.103   8.561   4.323
  483    HZ   PHE  92           HZ       PHE  92   6.894  10.765   5.399
  484    H    GLU  93           H        GLU  93   8.266  11.098  -0.140
  485    HA   GLU  93           HA       GLU  93   9.421   8.494  -0.736
  486   1HB   GLU  93          1HB       GLU  93  10.698  11.129   0.049
  487   2HB   GLU  93          2HB       GLU  93  11.602   9.647  -0.211
  488   1HG   GLU  93          1HG       GLU  93  11.812  10.914  -2.178
  489   2HG   GLU  93          2HG       GLU  93  10.683   9.612  -2.545
  490    H    TYR  94           H        TYR  94   9.704   7.026   0.780
  491    HA   TYR  94           HA       TYR  94   9.262   7.862   3.570
  492   1HB   TYR  94          1HB       TYR  94   7.655   6.256   2.294
  493   2HB   TYR  94          2HB       TYR  94   8.914   5.056   2.541
  494    HD1  TYR  94           HD1      TYR  94   6.542   4.178   3.641
  495    HD2  TYR  94           HD2      TYR  94   9.170   7.091   5.288
  496    HE1  TYR  94           HE1      TYR  94   5.672   3.686   5.890
  497    HE2  TYR  94           HE2      TYR  94   8.305   6.609   7.537
  498    HH   TYR  94           HH       TYR  94   6.412   5.664   8.631
  499    H    THR  95           H        THR  95  11.267   8.181   4.323
  500    HA   THR  95           HA       THR  95  13.426   6.399   3.668
  501    HB   THR  95           HB       THR  95  13.427   8.315   5.781
  502    HG1  THR  95           HG1      THR  95  13.811   9.879   4.176
  503   1HG2  THR  95          1HG2      THR  95  15.720   8.578   4.988
  504   2HG2  THR  95          2HG2      THR  95  15.434   7.354   3.751
  505   3HG2  THR  95          3HG2      THR  95  15.388   6.911   5.456
  506    H    PHE  96           H        PHE  96  14.340   4.888   4.961
  507    HA   PHE  96           HA       PHE  96  13.048   4.379   7.547
  508   1HB   PHE  96          1HB       PHE  96  14.689   2.527   5.799
  509   2HB   PHE  96          2HB       PHE  96  14.001   2.095   7.361
  510    HD1  PHE  96           HD1      PHE  96  11.499   2.089   7.620
  511    HD2  PHE  96           HD2      PHE  96  13.423   2.395   3.841
  512    HE1  PHE  96           HE1      PHE  96   9.415   1.396   6.512
  513    HE2  PHE  96           HE2      PHE  96  11.343   1.709   2.721
  514    HZ   PHE  96           HZ       PHE  96   9.335   1.209   4.059
  515    H    ASP  97           H        ASP  97  16.092   4.850   5.890
  516    HA   ASP  97           HA       ASP  97  17.339   5.948   8.196
  517   1HB   ASP  97          1HB       ASP  97  17.566   3.572   8.784
  518   2HB   ASP  97          2HB       ASP  97  18.298   3.240   7.221
  519    H    TYR  98           H        TYR  98  19.568   6.634   7.687
  520    HA   TYR  98           HA       TYR  98  20.143   6.744   4.807
  521   1HB   TYR  98          1HB       TYR  98  19.735   8.998   6.680
  522   2HB   TYR  98          2HB       TYR  98  21.124   9.132   5.609
  523    HD1  TYR  98           HD1      TYR  98  20.376   8.244   3.077
  524    HD2  TYR  98           HD2      TYR  98  17.921  10.184   5.954
  525    HE1  TYR  98           HE1      TYR  98  18.885   9.013   1.279
  526    HE2  TYR  98           HE2      TYR  98  16.426  10.962   4.166
  527    HH   TYR  98           HH       TYR  98  16.579   9.733   0.983
  528    H    GLN  99           H        GLN  99  21.185   5.949   7.866
  529    HA   GLN  99           HA       GLN  99  23.976   6.681   7.387
  530   1HB   GLN  99          1HB       GLN  99  22.873   7.117   9.609
  531   2HB   GLN  99          2HB       GLN  99  22.789   5.375   9.838
  532   1HG   GLN  99          1HG       GLN  99  24.689   6.297  11.015
  533   2HG   GLN  99          2HG       GLN  99  25.225   5.243   9.706
  534   1HE2  GLN  99          1HE2      GLN  99  27.235   6.224   9.601
  535   2HE2  GLN  99          2HE2      GLN  99  27.465   7.805   8.933
  536    H    MET 100           H        MET 100  22.304   3.804   8.648
  537    HA   MET 100           HA       MET 100  24.493   2.118   7.771
  538   1HB   MET 100          1HB       MET 100  23.495   1.683   9.949
  539   2HB   MET 100          2HB       MET 100  21.905   1.505   9.217
  540   1HG   MET 100          1HG       MET 100  22.713  -0.470   8.000
  541   2HG   MET 100          2HG       MET 100  24.276  -0.302   8.799
  542   1HE   MET 100          1HE       MET 100  23.313  -0.947  12.553
  543   2HE   MET 100          2HE       MET 100  23.338   0.620  11.742
  544   3HE   MET 100          3HE       MET 100  24.616  -0.555  11.430
  545    H    THR 101           H        THR 101  20.979   2.259   7.274
  546    HA   THR 101           HA       THR 101  21.391   0.994   4.637
  547    HB   THR 101           HB       THR 101  19.033   0.899   6.277
  548    HG1  THR 101           HG1      THR 101  21.335  -0.785   6.124
  549   1HG2  THR 101          1HG2      THR 101  20.024  -0.716   3.935
  550   2HG2  THR 101          2HG2      THR 101  18.752   0.501   3.876
  551   3HG2  THR 101          3HG2      THR 101  18.515  -0.973   4.814
  552    HA   PRO 102           HA       PRO 102  19.532   5.087   3.853
  553   1HB   PRO 102          1HB       PRO 102  20.879   5.634   1.606
  554   2HB   PRO 102          2HB       PRO 102  21.646   5.764   3.194
  555   1HG   PRO 102          1HG       PRO 102  21.856   3.584   1.160
  556   2HG   PRO 102          2HG       PRO 102  23.124   4.298   2.173
  557   1HD   PRO 102          1HD       PRO 102  21.839   1.920   2.719
  558   2HD   PRO 102          2HD       PRO 102  22.643   2.930   3.935
  559    H    THR 103           H        THR 103  18.560   2.326   2.966
  560    HA   THR 103           HA       THR 103  17.699   2.662   0.251
  561    HB   THR 103           HB       THR 103  16.681   0.916   2.289
  562    HG1  THR 103           HG1      THR 103  19.125   1.105   0.991
  563   1HG2  THR 103          1HG2      THR 103  16.839   0.758  -0.718
  564   2HG2  THR 103          2HG2      THR 103  15.374   1.028   0.226
  565   3HG2  THR 103          3HG2      THR 103  16.237  -0.505   0.354
  566    H    LYS 104           H        LYS 104  16.458   4.438   0.044
  567    HA   LYS 104           HA       LYS 104  14.093   4.751   1.737
  568   1HB   LYS 104          1HB       LYS 104  15.529   6.710   1.461
  569   2HB   LYS 104          2HB       LYS 104  15.383   6.594  -0.285
  570   1HG   LYS 104          1HG       LYS 104  13.006   7.095  -0.138
  571   2HG   LYS 104          2HG       LYS 104  13.126   7.180   1.621
  572   1HD   LYS 104          1HD       LYS 104  13.166   9.411   0.639
  573   2HD   LYS 104          2HD       LYS 104  14.703   9.043   1.427
  574   1HE   LYS 104          1HE       LYS 104  15.607   8.403  -0.810
  575   2HE   LYS 104          2HE       LYS 104  14.099   8.971  -1.524
  576   1HZ   LYS 104          1HZ       LYS 104  15.815  10.658  -1.635
  577   2HZ   LYS 104          2HZ       LYS 104  15.991  10.627   0.052
  578   3HZ   LYS 104          3HZ       LYS 104  14.541  11.171  -0.640
  579    H    VAL 105           H        VAL 105  12.082   4.370   0.966
  580    HA   VAL 105           HA       VAL 105  11.854   3.626  -1.845
  581    HB   VAL 105           HB       VAL 105   9.818   2.752  -1.298
  582   1HG1  VAL 105          1HG1      VAL 105  12.174   1.786   0.321
  583   2HG1  VAL 105          2HG1      VAL 105  11.854   1.409  -1.371
  584   3HG1  VAL 105          3HG1      VAL 105  10.761   0.827  -0.114
  585   1HG2  VAL 105          1HG2      VAL 105  10.584   3.377   1.543
  586   2HG2  VAL 105          2HG2      VAL 105   9.206   2.408   1.017
  587   3HG2  VAL 105          3HG2      VAL 105   9.270   4.129   0.638
  588    H    LYS 106           H        LYS 106   9.909   4.205  -2.963
  589    HA   LYS 106           HA       LYS 106   8.892   6.834  -2.126
  590   1HB   LYS 106          1HB       LYS 106  10.226   7.039  -4.141
  591   2HB   LYS 106          2HB       LYS 106   9.335   5.732  -4.908
  592   1HG   LYS 106          1HG       LYS 106   7.338   7.071  -4.996
  593   2HG   LYS 106          2HG       LYS 106   8.120   8.359  -4.079
  594   1HD   LYS 106          1HD       LYS 106   9.075   7.390  -6.772
  595   2HD   LYS 106          2HD       LYS 106   7.999   8.772  -6.545
  596   1HE   LYS 106          1HE       LYS 106   9.719   9.838  -5.132
  597   2HE   LYS 106          2HE       LYS 106  10.796   8.479  -5.453
  598   1HZ   LYS 106          1HZ       LYS 106  11.097  10.532  -6.866
  599   2HZ   LYS 106          2HZ       LYS 106   9.646  10.115  -7.639
  600   3HZ   LYS 106          3HZ       LYS 106  10.973   9.062  -7.701
  601    H    VAL 107           H        VAL 107   6.798   6.982  -1.759
  602    HA   VAL 107           HA       VAL 107   5.117   4.661  -2.436
  603    HB   VAL 107           HB       VAL 107   4.256   6.862  -0.849
  604   1HG1  VAL 107          1HG1      VAL 107   2.989   5.050   0.200
  605   2HG1  VAL 107          2HG1      VAL 107   3.761   3.884  -0.875
  606   3HG1  VAL 107          3HG1      VAL 107   2.699   5.127  -1.539
  607   1HG2  VAL 107          1HG2      VAL 107   6.031   4.619   0.128
  608   2HG2  VAL 107          2HG2      VAL 107   5.166   5.774   1.143
  609   3HG2  VAL 107          3HG2      VAL 107   6.457   6.330   0.076
  610    H    HIS 108           H        HIS 108   4.363   5.098  -4.483
  611    HA   HIS 108           HA       HIS 108   2.991   7.655  -4.817
  612   1HB   HIS 108          1HB       HIS 108   4.235   6.533  -6.734
  613   2HB   HIS 108          2HB       HIS 108   3.002   5.280  -6.704
  614    HD1  HIS 108           HD1      HIS 108   3.503   7.028  -9.195
  615    HD2  HIS 108           HD2      HIS 108   0.605   7.823  -6.315
  616    HE1  HIS 108           HE1      HIS 108   1.760   8.426 -10.353
  617    HE2  HIS 108           HE2      HIS 108   0.066   8.990  -8.566
  618    H    MET 109           H        MET 109   1.296   7.686  -3.505
  619    HA   MET 109           HA       MET 109  -0.415   5.302  -3.344
  620   1HB   MET 109          1HB       MET 109   0.540   7.073  -1.382
  621   2HB   MET 109          2HB       MET 109  -1.150   7.511  -1.593
  622   1HG   MET 109          1HG       MET 109  -1.836   5.248  -1.114
  623   2HG   MET 109          2HG       MET 109  -0.156   4.728  -1.022
  624   1HE   MET 109          1HE       MET 109  -0.493   3.612   1.306
  625   2HE   MET 109          2HE       MET 109  -2.204   4.040   1.277
  626   3HE   MET 109          3HE       MET 109  -1.226   4.408   2.697
  627    H    LYS 110           H        LYS 110  -2.360   5.348  -4.401
  628    HA   LYS 110           HA       LYS 110  -3.098   7.947  -5.540
  629   1HB   LYS 110          1HB       LYS 110  -1.575   6.944  -7.139
  630   2HB   LYS 110          2HB       LYS 110  -2.479   5.437  -7.109
  631   1HG   LYS 110          1HG       LYS 110  -4.379   6.540  -8.133
  632   2HG   LYS 110          2HG       LYS 110  -3.508   8.074  -8.129
  633   1HD   LYS 110          1HD       LYS 110  -1.782   7.053  -9.569
  634   2HD   LYS 110          2HD       LYS 110  -2.741   5.573  -9.626
  635   1HE   LYS 110          1HE       LYS 110  -3.121   6.919 -11.617
  636   2HE   LYS 110          2HE       LYS 110  -4.590   6.814 -10.645
  637   1HZ   LYS 110          1HZ       LYS 110  -4.169   9.003  -9.774
  638   2HZ   LYS 110          2HZ       LYS 110  -4.158   9.068 -11.470
  639   3HZ   LYS 110          3HZ       LYS 110  -2.696   9.101 -10.613
  640    H    LYS 111           H        LYS 111  -5.181   8.227  -5.060
  641    HA   LYS 111           HA       LYS 111  -7.046   6.336  -4.462
  642   1HB   LYS 111          1HB       LYS 111  -7.365   8.660  -4.103
  643   2HB   LYS 111          2HB       LYS 111  -7.244   9.007  -5.817
  644   1HG   LYS 111          1HG       LYS 111  -9.345   7.680  -6.156
  645   2HG   LYS 111          2HG       LYS 111  -9.492   7.600  -4.395
  646   1HD   LYS 111          1HD       LYS 111  -9.493  10.054  -4.296
  647   2HD   LYS 111          2HD       LYS 111  -9.383  10.114  -6.055
  648   1HE   LYS 111          1HE       LYS 111 -11.529   8.941  -6.227
  649   2HE   LYS 111          2HE       LYS 111 -11.644   8.900  -4.468
  650   1HZ   LYS 111          1HZ       LYS 111 -11.616  11.342  -4.482
  651   2HZ   LYS 111          2HZ       LYS 111 -12.943  10.712  -5.322
  652   3HZ   LYS 111          3HZ       LYS 111 -11.618  11.333  -6.178
  653    H    ALA 112           H        ALA 112  -7.814   4.717  -5.556
  654    HA   ALA 112           HA       ALA 112  -7.074   4.132  -8.182
  655   1HB   ALA 112          1HB       ALA 112  -8.509   2.192  -7.989
  656   2HB   ALA 112          2HB       ALA 112  -9.322   2.900  -6.594
  657   3HB   ALA 112          3HB       ALA 112  -7.623   2.438  -6.484
  658    H    LEU 113           H        LEU 113  -8.221   4.060 -10.098
  659    HA   LEU 113           HA       LEU 113 -10.151   6.165 -10.399
  660   1HB   LEU 113          1HB       LEU 113  -9.035   4.188 -12.392
  661   2HB   LEU 113          2HB       LEU 113 -10.137   5.485 -12.805
  662    HG   LEU 113           HG       LEU 113  -8.009   6.255 -13.422
  663   1HD1  LEU 113          1HD1      LEU 113  -9.282   7.947 -12.272
  664   2HD1  LEU 113          2HD1      LEU 113  -7.566   8.139 -11.910
  665   3HD1  LEU 113          3HD1      LEU 113  -8.643   7.409 -10.718
  666   1HD2  LEU 113          1HD2      LEU 113  -6.658   4.605 -12.259
  667   2HD2  LEU 113          2HD2      LEU 113  -6.997   5.395 -10.719
  668   3HD2  LEU 113          3HD2      LEU 113  -6.056   6.236 -11.952
  669    H    SER 114           H        SER 114 -10.328   2.950  -9.546
  670    HA   SER 114           HA       SER 114 -12.893   2.376 -10.720
  671   1HB   SER 114          1HB       SER 114 -11.215   0.604 -10.141
  672   2HB   SER 114          2HB       SER 114 -11.499   0.957  -8.439
  673    HG   SER 114           HG       SER 114 -13.326  -0.081 -10.351
  674    H    GLY 115           H        GLY 115 -11.671   3.238  -7.495
  675   1HA   GLY 115          1HA       GLY 115 -13.012   4.981  -6.346
  676   2HA   GLY 115          2HA       GLY 115 -14.424   4.034  -6.790
  677    H    ASP 116           H        ASP 116 -13.464   4.896  -4.163
  678    HA   ASP 116           HA       ASP 116 -13.215   4.140  -2.037
  679   1HB   ASP 116          1HB       ASP 116 -14.765   1.826  -3.210
  680   2HB   ASP 116          2HB       ASP 116 -14.511   2.068  -1.485
  681    H    SER 117           H        SER 117 -11.026   3.697  -3.621
  682    HA   SER 117           HA       SER 117  -9.630   1.706  -2.116
  683   1HB   SER 117          1HB       SER 117  -8.785   0.638  -4.323
  684   2HB   SER 117          2HB       SER 117 -10.333   0.125  -3.651
  685    HG   SER 117           HG       SER 117 -11.397   1.345  -5.161
  686    H    TYR 118           H        TYR 118  -7.338   1.846  -2.448
  687    HA   TYR 118           HA       TYR 118  -6.387   4.173  -3.958
  688   1HB   TYR 118          1HB       TYR 118  -5.796   3.789  -1.006
  689   2HB   TYR 118          2HB       TYR 118  -5.226   5.107  -2.027
  690    HD1  TYR 118           HD1      TYR 118  -7.942   3.830  -0.042
  691    HD2  TYR 118           HD2      TYR 118  -6.809   6.792  -2.855
  692    HE1  TYR 118           HE1      TYR 118  -9.919   5.163   0.589
  693    HE2  TYR 118           HE2      TYR 118  -8.783   8.148  -2.244
  694    HH   TYR 118           HH       TYR 118 -11.071   7.715  -1.228
  695    H    TRP 119           H        TRP 119  -4.305   3.935  -4.734
  696    HA   TRP 119           HA       TRP 119  -3.266   1.241  -4.589
  697   1HB   TRP 119          1HB       TRP 119  -2.529   3.659  -6.233
  698   2HB   TRP 119          2HB       TRP 119  -1.680   2.108  -6.338
  699    HD1  TRP 119           HD1      TRP 119  -5.313   3.426  -6.808
  700    HE1  TRP 119           HE1      TRP 119  -6.341   2.100  -8.781
  701    HE3  TRP 119           HE3      TRP 119  -1.411   0.309  -7.800
  702    HZ2  TRP 119           HZ2      TRP 119  -5.567   0.001 -10.512
  703    HZ3  TRP 119           HZ3      TRP 119  -1.607  -1.304  -9.601
  704    HH2  TRP 119           HH2      TRP 119  -3.643  -1.468 -10.953
  705    H    VAL 120           H        VAL 120  -1.019   0.874  -4.436
  706    HA   VAL 120           HA       VAL 120   0.610   2.902  -3.072
  707    HB   VAL 120           HB       VAL 120   0.494   0.078  -2.497
  708   1HG1  VAL 120          1HG1      VAL 120   2.729   1.032  -2.271
  709   2HG1  VAL 120          2HG1      VAL 120   2.033   0.710  -0.681
  710   3HG1  VAL 120          3HG1      VAL 120   2.079   2.358  -1.308
  711   1HG2  VAL 120          1HG2      VAL 120  -1.473   1.231  -1.651
  712   2HG2  VAL 120          2HG2      VAL 120  -0.440   2.438  -0.886
  713   3HG2  VAL 120          3HG2      VAL 120  -0.388   0.761  -0.342
  714    H    PHE 121           H        PHE 121   1.775   3.301  -4.947
  715    HA   PHE 121           HA       PHE 121   3.097   1.020  -6.257
  716   1HB   PHE 121          1HB       PHE 121   3.315   3.971  -6.924
  717   2HB   PHE 121          2HB       PHE 121   3.893   2.635  -7.899
  718    HD1  PHE 121           HD1      PHE 121   1.023   4.655  -6.962
  719    HD2  PHE 121           HD2      PHE 121   2.311   1.238  -9.150
  720    HE1  PHE 121           HE1      PHE 121  -1.128   4.607  -8.152
  721    HE2  PHE 121           HE2      PHE 121   0.162   1.186 -10.352
  722    HZ   PHE 121           HZ       PHE 121  -1.490   2.992  -9.969
  723    H    VAL 122           H        VAL 122   4.796   0.363  -4.992
  724    HA   VAL 122           HA       VAL 122   6.383   2.437  -3.674
  725    HB   VAL 122           HB       VAL 122   5.557   0.797  -2.377
  726   1HG1  VAL 122          1HG1      VAL 122   7.162  -1.085  -4.096
  727   2HG1  VAL 122          2HG1      VAL 122   5.412  -1.077  -3.879
  728   3HG1  VAL 122          3HG1      VAL 122   6.465  -1.498  -2.529
  729   1HG2  VAL 122          1HG2      VAL 122   7.624   1.885  -1.773
  730   2HG2  VAL 122          2HG2      VAL 122   8.540   0.698  -2.703
  731   3HG2  VAL 122          3HG2      VAL 122   7.638   0.194  -1.273
  732    H    LYS 123           H        LYS 123   8.469   2.839  -4.122
  733    HA   LYS 123           HA       LYS 123   9.821   1.176  -6.110
  734   1HB   LYS 123          1HB       LYS 123   9.662   4.197  -6.187
  735   2HB   LYS 123          2HB       LYS 123  10.575   3.190  -7.298
  736   1HG   LYS 123          1HG       LYS 123   7.577   3.129  -7.005
  737   2HG   LYS 123          2HG       LYS 123   8.453   4.035  -8.238
  738   1HD   LYS 123          1HD       LYS 123   8.551   1.040  -7.865
  739   2HD   LYS 123          2HD       LYS 123   7.594   1.888  -9.080
  740   1HE   LYS 123          1HE       LYS 123  10.599   1.851  -8.841
  741   2HE   LYS 123          2HE       LYS 123   9.631   1.059 -10.084
  742   1HZ   LYS 123          1HZ       LYS 123   8.840   3.303 -10.745
  743   2HZ   LYS 123          2HZ       LYS 123  10.507   3.075 -10.974
  744   3HZ   LYS 123          3HZ       LYS 123   9.954   3.977  -9.655
  745    H    ARG 124           H        ARG 124  11.883   0.727  -5.518
  746    HA   ARG 124           HA       ARG 124  12.920   2.168  -3.184
  747   1HB   ARG 124          1HB       ARG 124  14.489   0.322  -2.936
  748   2HB   ARG 124          2HB       ARG 124  12.844  -0.288  -3.047
  749   1HG   ARG 124          1HG       ARG 124  13.177  -1.215  -5.123
  750   2HG   ARG 124          2HG       ARG 124  14.503  -0.120  -5.515
  751   1HD   ARG 124          1HD       ARG 124  14.633  -2.327  -3.461
  752   2HD   ARG 124          2HD       ARG 124  15.253  -2.442  -5.110
  753    HE   ARG 124           HE       ARG 124  16.468  -0.218  -4.102
  754   1HH1  ARG 124          1HH1      ARG 124  16.297  -3.601  -3.130
  755   2HH1  ARG 124          2HH1      ARG 124  17.830  -3.548  -2.310
  756   1HH2  ARG 124          1HH2      ARG 124  18.468  -0.193  -3.056
  757   2HH2  ARG 124          2HH2      ARG 124  19.051  -1.627  -2.260
  758    H    VAL 125           H        VAL 125  14.980   3.055  -3.136
  759    HA   VAL 125           HA       VAL 125  16.062   3.942  -5.620
  760    HB   VAL 125           HB       VAL 125  17.847   4.718  -4.409
  761   1HG1  VAL 125          1HG1      VAL 125  16.515   6.373  -3.196
  762   2HG1  VAL 125          2HG1      VAL 125  15.097   5.336  -3.347
  763   3HG1  VAL 125          3HG1      VAL 125  15.841   6.027  -4.789
  764   1HG2  VAL 125          1HG2      VAL 125  17.881   2.967  -2.645
  765   2HG2  VAL 125          2HG2      VAL 125  16.423   3.689  -1.964
  766   3HG2  VAL 125          3HG2      VAL 125  17.917   4.618  -2.031
  767    H2   HC4 169           H2       HC4 169  -1.934  -8.372  24.539
  768    H3   HC4 169           H3       HC4 169  -3.117  -6.734  25.337
  769    H2'  HC4 169           H2'      HC4 169  -4.918  -5.136  25.538
  770    H3'  HC4 169           H3'      HC4 169  -7.175  -4.314  25.047
  771    H5'  HC4 169           H5'      HC4 169  -7.551  -7.231  21.966
  772    H6'  HC4 169           H6'      HC4 169  -5.339  -8.110  22.541
  773   'HO4  HC4 169          'HO4      HC4 169  -9.360  -5.943  23.025
  Start of MODEL    9
    1    H    LEU  26           H        LEU  26  10.271  -5.558  -3.109
    2    HA   LEU  26           HA       LEU  26  12.036  -3.196  -3.387
    3   1HB   LEU  26          1HB       LEU  26  13.182  -5.170  -2.462
    4   2HB   LEU  26          2HB       LEU  26  12.586  -6.142  -3.794
    5    HG   LEU  26           HG       LEU  26  13.894  -4.712  -5.363
    6   1HD1  LEU  26          1HD1      LEU  26  14.013  -2.702  -3.990
    7   2HD1  LEU  26          2HD1      LEU  26  15.625  -3.251  -4.450
    8   3HD1  LEU  26          3HD1      LEU  26  15.023  -3.552  -2.820
    9   1HD2  LEU  26          1HD2      LEU  26  14.771  -6.843  -4.570
   10   2HD2  LEU  26          2HD2      LEU  26  15.473  -6.041  -3.165
   11   3HD2  LEU  26          3HD2      LEU  26  16.066  -5.669  -4.785
   12    H    ALA  27           H        ALA  27  12.221  -2.395  -5.379
   13    HA   ALA  27           HA       ALA  27  12.101  -2.086  -7.609
   14   1HB   ALA  27          1HB       ALA  27  11.948  -4.005  -9.119
   15   2HB   ALA  27          2HB       ALA  27  11.584  -5.049  -7.745
   16   3HB   ALA  27          3HB       ALA  27  13.152  -4.250  -7.853
   17    H    PHE  28           H        PHE  28   9.632  -4.636  -7.309
   18    HA   PHE  28           HA       PHE  28   7.757  -2.725  -8.510
   19   1HB   PHE  28          1HB       PHE  28   7.786  -5.743  -8.573
   20   2HB   PHE  28          2HB       PHE  28   6.441  -4.770  -9.160
   21    HD1  PHE  28           HD1      PHE  28   6.924  -3.082 -11.012
   22    HD2  PHE  28           HD2      PHE  28   9.593  -6.223  -9.950
   23    HE1  PHE  28           HE1      PHE  28   8.018  -2.896 -13.209
   24    HE2  PHE  28           HE2      PHE  28  10.694  -6.035 -12.138
   25    HZ   PHE  28           HZ       PHE  28   9.931  -4.329 -13.757
   26    H    GLY  29           H        GLY  29   6.912  -1.716  -6.795
   27   1HA   GLY  29          1HA       GLY  29   5.507  -3.369  -4.796
   28   2HA   GLY  29          2HA       GLY  29   6.071  -1.724  -4.527
   29    H    ALA  30           H        ALA  30   4.225  -3.139  -7.217
   30    HA   ALA  30           HA       ALA  30   2.396  -0.867  -6.981
   31   1HB   ALA  30          1HB       ALA  30   2.711  -2.883  -9.205
   32   2HB   ALA  30          2HB       ALA  30   3.412  -1.264  -9.169
   33   3HB   ALA  30          3HB       ALA  30   1.661  -1.466  -9.232
   34    H    ILE  31           H        ILE  31   0.819  -1.310  -5.533
   35    HA   ILE  31           HA       ILE  31  -0.793  -3.691  -6.075
   36    HB   ILE  31           HB       ILE  31   0.555  -4.179  -4.394
   37   1HG1  ILE  31          1HG1      ILE  31  -2.303  -3.753  -3.647
   38   2HG1  ILE  31          2HG1      ILE  31  -1.547  -5.180  -4.350
   39   1HG2  ILE  31          1HG2      ILE  31   1.114  -2.007  -3.499
   40   2HG2  ILE  31          2HG2      ILE  31   0.426  -3.011  -2.224
   41   3HG2  ILE  31          3HG2      ILE  31  -0.556  -1.763  -2.989
   42   1HD1  ILE  31          1HD1      ILE  31  -2.045  -5.476  -1.977
   43   2HD1  ILE  31          2HD1      ILE  31  -0.992  -4.114  -1.595
   44   3HD1  ILE  31          3HD1      ILE  31  -0.314  -5.578  -2.310
   45    H    GLN  32           H        GLN  32  -2.939  -3.471  -5.844
   46    HA   GLN  32           HA       GLN  32  -3.904  -0.780  -5.157
   47   1HB   GLN  32          1HB       GLN  32  -5.879  -1.260  -6.539
   48   2HB   GLN  32          2HB       GLN  32  -4.386  -1.331  -7.455
   49   1HG   GLN  32          1HG       GLN  32  -4.462  -3.660  -7.616
   50   2HG   GLN  32          2HG       GLN  32  -5.711  -3.791  -6.378
   51   1HE2  GLN  32          1HE2      GLN  32  -7.844  -3.216  -6.920
   52   2HE2  GLN  32          2HE2      GLN  32  -8.365  -3.165  -8.568
   53    H    LEU  33           H        LEU  33  -4.962  -0.584  -3.334
   54    HA   LEU  33           HA       LEU  33  -6.397  -2.961  -2.339
   55   1HB   LEU  33          1HB       LEU  33  -5.862  -2.226  -0.041
   56   2HB   LEU  33          2HB       LEU  33  -4.471  -2.732  -0.969
   57    HG   LEU  33           HG       LEU  33  -4.169  -0.169  -1.411
   58   1HD1  LEU  33          1HD1      LEU  33  -6.291   0.507  -0.386
   59   2HD1  LEU  33          2HD1      LEU  33  -4.904   1.228   0.431
   60   3HD1  LEU  33          3HD1      LEU  33  -5.743  -0.141   1.159
   61   1HD2  LEU  33          1HD2      LEU  33  -2.743  -0.026   0.552
   62   2HD2  LEU  33          2HD2      LEU  33  -2.615  -1.621  -0.190
   63   3HD2  LEU  33          3HD2      LEU  33  -3.574  -1.405   1.274
   64    H    ASP  34           H        ASP  34  -8.258  -2.598  -1.115
   65    HA   ASP  34           HA       ASP  34  -9.865  -0.454  -2.108
   66   1HB   ASP  34          1HB       ASP  34 -11.470  -1.920  -1.600
   67   2HB   ASP  34          2HB       ASP  34 -10.276  -2.959  -0.830
   68    H    GLY  35           H        GLY  35 -10.985   1.100  -0.810
   69   1HA   GLY  35          1HA       GLY  35  -9.080   2.530   0.798
   70   2HA   GLY  35          2HA       GLY  35 -10.677   3.088   0.330
   71    H    ASP  36           H        ASP  36 -10.106   0.084   1.942
   72    HA   ASP  36           HA       ASP  36 -11.083   1.170   4.483
   73   1HB   ASP  36          1HB       ASP  36 -13.043   0.268   3.469
   74   2HB   ASP  36          2HB       ASP  36 -12.176  -1.169   2.924
   75    H    GLY  37           H        GLY  37  -9.429  -1.394   2.712
   76   1HA   GLY  37          1HA       GLY  37  -7.149  -1.659   3.929
   77   2HA   GLY  37          2HA       GLY  37  -8.165  -2.264   5.227
   78    H    ASN  38           H        ASN  38  -9.201  -2.966   2.032
   79    HA   ASN  38           HA       ASN  38  -8.344  -5.756   2.408
   80   1HB   ASN  38          1HB       ASN  38 -10.616  -4.631   0.754
   81   2HB   ASN  38          2HB       ASN  38 -10.207  -6.338   0.893
   82   1HD2  ASN  38          1HD2      ASN  38 -11.487  -3.551   2.520
   83   2HD2  ASN  38          2HD2      ASN  38 -12.246  -4.411   3.819
   84    H    ILE  39           H        ILE  39  -6.970  -6.664   0.983
   85    HA   ILE  39           HA       ILE  39  -5.810  -5.017  -1.070
   86    HB   ILE  39           HB       ILE  39  -5.486  -7.787  -0.401
   87   1HG1  ILE  39          1HG1      ILE  39  -5.036  -6.342   1.497
   88   2HG1  ILE  39          2HG1      ILE  39  -3.541  -7.001   0.849
   89   1HG2  ILE  39          1HG2      ILE  39  -3.844  -5.863  -2.052
   90   2HG2  ILE  39          2HG2      ILE  39  -4.693  -7.292  -2.642
   91   3HG2  ILE  39          3HG2      ILE  39  -3.315  -7.469  -1.555
   92   1HD1  ILE  39          1HD1      ILE  39  -3.092  -4.884  -0.272
   93   2HD1  ILE  39          2HD1      ILE  39  -3.285  -4.669   1.469
   94   3HD1  ILE  39          3HD1      ILE  39  -4.594  -4.222   0.373
   95    H    LEU  40           H        LEU  40  -6.596  -4.891  -3.098
   96    HA   LEU  40           HA       LEU  40  -8.669  -6.773  -3.879
   97   1HB   LEU  40          1HB       LEU  40  -7.668  -4.295  -5.279
   98   2HB   LEU  40          2HB       LEU  40  -9.085  -5.224  -5.728
   99    HG   LEU  40           HG       LEU  40  -8.727  -3.655  -3.179
  100   1HD1  LEU  40          1HD1      LEU  40  -9.047  -2.256  -5.145
  101   2HD1  LEU  40          2HD1      LEU  40 -10.468  -2.214  -4.103
  102   3HD1  LEU  40          3HD1      LEU  40 -10.484  -3.177  -5.581
  103   1HD2  LEU  40          1HD2      LEU  40 -10.074  -5.629  -2.772
  104   2HD2  LEU  40          2HD2      LEU  40 -11.077  -5.266  -4.177
  105   3HD2  LEU  40          3HD2      LEU  40 -11.098  -4.192  -2.776
  106    H    GLN  41           H        GLN  41  -5.577  -5.552  -5.087
  107    HA   GLN  41           HA       GLN  41  -5.053  -8.061  -6.404
  108   1HB   GLN  41          1HB       GLN  41  -6.563  -6.905  -8.018
  109   2HB   GLN  41          2HB       GLN  41  -5.377  -5.613  -8.142
  110   1HG   GLN  41          1HG       GLN  41  -3.750  -7.139  -9.060
  111   2HG   GLN  41          2HG       GLN  41  -4.856  -8.494  -8.843
  112   1HE2  GLN  41          1HE2      GLN  41  -4.877  -9.020 -11.001
  113   2HE2  GLN  41          2HE2      GLN  41  -5.662  -8.049 -12.199
  114    H    TYR  42           H        TYR  42  -2.941  -8.373  -6.903
  115    HA   TYR  42           HA       TYR  42  -1.094  -6.226  -6.061
  116   1HB   TYR  42          1HB       TYR  42  -1.214  -8.198  -4.559
  117   2HB   TYR  42          2HB       TYR  42  -0.751  -9.231  -5.901
  118    HD1  TYR  42           HD1      TYR  42   1.353 -10.051  -5.604
  119    HD2  TYR  42           HD2      TYR  42   0.589  -5.999  -4.545
  120    HE1  TYR  42           HE1      TYR  42   3.713  -9.781  -4.983
  121    HE2  TYR  42           HE2      TYR  42   2.960  -5.718  -3.919
  122    HH   TYR  42           HH       TYR  42   5.337  -8.241  -4.551
  123    H    ASN  43           H        ASN  43   0.072  -5.411  -7.687
  124    HA   ASN  43           HA       ASN  43   0.408  -7.008 -10.130
  125   1HB   ASN  43          1HB       ASN  43   0.794  -4.035  -9.683
  126   2HB   ASN  43          2HB       ASN  43   0.991  -4.864 -11.221
  127   1HD2  ASN  43          1HD2      ASN  43  -1.267  -3.727  -8.843
  128   2HD2  ASN  43          2HD2      ASN  43  -2.677  -3.865  -9.834
  129    H    ALA  44           H        ALA  44   2.124  -8.281  -9.525
  130    HA   ALA  44           HA       ALA  44   4.700  -7.229  -9.930
  131   1HB   ALA  44          1HB       ALA  44   4.108  -7.967  -7.061
  132   2HB   ALA  44          2HB       ALA  44   4.431  -6.340  -7.663
  133   3HB   ALA  44          3HB       ALA  44   5.692  -7.571  -7.727
  134    H    ALA  45           H        ALA  45   5.036  -8.917 -11.294
  135    HA   ALA  45           HA       ALA  45   4.536 -11.634 -10.452
  136   1HB   ALA  45          1HB       ALA  45   5.920 -10.573 -12.918
  137   2HB   ALA  45          2HB       ALA  45   4.219 -11.027 -12.798
  138   3HB   ALA  45          3HB       ALA  45   5.476 -12.255 -12.634
  139    H    GLU  46           H        GLU  46   5.826 -11.878  -8.642
  140    HA   GLU  46           HA       GLU  46   8.727 -11.873  -9.141
  141   1HB   GLU  46          1HB       GLU  46   8.969 -11.698  -6.671
  142   2HB   GLU  46          2HB       GLU  46   8.162 -10.317  -7.395
  143   1HG   GLU  46          1HG       GLU  46   5.985 -11.297  -6.720
  144   2HG   GLU  46          2HG       GLU  46   6.867 -12.577  -5.887
  145    H    GLY  47           H        GLY  47   6.294 -13.857  -9.267
  146   1HA   GLY  47          1HA       GLY  47   7.935 -16.166  -8.617
  147   2HA   GLY  47          2HA       GLY  47   6.412 -16.031  -7.742
  148    H    ASP  48           H        ASP  48   4.442 -15.819  -9.058
  149    HA   ASP  48           HA       ASP  48   4.607 -16.639 -11.842
  150   1HB   ASP  48          1HB       ASP  48   4.630 -18.789 -10.589
  151   2HB   ASP  48          2HB       ASP  48   3.111 -18.337  -9.823
  152    H    ILE  49           H        ILE  49   2.586 -16.468 -12.939
  153    HA   ILE  49           HA       ILE  49   0.988 -14.275 -12.389
  154    HB   ILE  49           HB       ILE  49   0.278 -16.752 -13.674
  155   1HG1  ILE  49          1HG1      ILE  49   1.346 -14.168 -14.796
  156   2HG1  ILE  49          2HG1      ILE  49   2.320 -15.609 -14.536
  157   1HG2  ILE  49          1HG2      ILE  49  -1.691 -15.447 -13.108
  158   2HG2  ILE  49          2HG2      ILE  49  -1.364 -15.333 -14.838
  159   3HG2  ILE  49          3HG2      ILE  49  -0.942 -13.994 -13.771
  160   1HD1  ILE  49          1HD1      ILE  49   0.911 -16.840 -16.099
  161   2HD1  ILE  49          2HD1      ILE  49   1.631 -15.417 -16.850
  162   3HD1  ILE  49          3HD1      ILE  49  -0.062 -15.393 -16.359
  163    H    THR  50           H        THR  50   0.324 -17.693 -11.675
  164    HA   THR  50           HA       THR  50  -2.079 -17.043 -10.196
  165    HB   THR  50           HB       THR  50  -0.666 -19.539 -10.259
  166    HG1  THR  50           HG1      THR  50  -0.908 -19.261 -12.382
  167   1HG2  THR  50          1HG2      THR  50  -3.564 -18.742 -10.043
  168   2HG2  THR  50          2HG2      THR  50  -2.553 -19.338  -8.725
  169   3HG2  THR  50          3HG2      THR  50  -2.944 -20.392 -10.085
  170    H    GLY  51           H        GLY  51  -0.522 -15.619  -8.859
  171   1HA   GLY  51          1HA       GLY  51   1.085 -16.990  -6.893
  172   2HA   GLY  51          2HA       GLY  51   0.810 -15.258  -7.002
  173    H    ARG  52           H        ARG  52  -0.770 -18.293  -6.089
  174    HA   ARG  52           HA       ARG  52  -2.658 -16.942  -4.376
  175   1HB   ARG  52          1HB       ARG  52  -3.248 -19.274  -3.654
  176   2HB   ARG  52          2HB       ARG  52  -3.404 -18.990  -5.383
  177   1HG   ARG  52          1HG       ARG  52  -1.498 -20.250  -5.876
  178   2HG   ARG  52          2HG       ARG  52  -0.925 -20.198  -4.211
  179   1HD   ARG  52          1HD       ARG  52  -1.758 -22.386  -4.593
  180   2HD   ARG  52          2HD       ARG  52  -2.929 -21.555  -3.573
  181    HE   ARG  52           HE       ARG  52  -3.574 -21.389  -6.367
  182   1HH1  ARG  52          1HH1      ARG  52  -3.855 -23.312  -3.451
  183   2HH1  ARG  52          2HH1      ARG  52  -5.166 -24.288  -4.056
  184   1HH2  ARG  52          1HH2      ARG  52  -5.282 -22.681  -7.187
  185   2HH2  ARG  52          2HH2      ARG  52  -5.978 -23.927  -6.186
  186    H    ASP  53           H        ASP  53  -0.378 -15.964  -3.572
  187    HA   ASP  53           HA       ASP  53   0.793 -17.618  -1.467
  188   1HB   ASP  53          1HB       ASP  53   2.236 -16.374  -3.100
  189   2HB   ASP  53          2HB       ASP  53   1.637 -14.869  -2.409
  190    HA   PRO  54           HA       PRO  54  -1.805 -15.349   1.370
  191   1HB   PRO  54          1HB       PRO  54  -1.491 -16.971   3.474
  192   2HB   PRO  54          2HB       PRO  54  -2.426 -17.466   2.058
  193   1HG   PRO  54          1HG       PRO  54   0.351 -18.215   2.852
  194   2HG   PRO  54          2HG       PRO  54  -0.914 -19.210   2.107
  195   1HD   PRO  54          1HD       PRO  54   1.200 -18.012   0.750
  196   2HD   PRO  54          2HD       PRO  54  -0.302 -18.592   0.006
  197    H    LYS  55           H        LYS  55   1.455 -15.265   1.179
  198    HA   LYS  55           HA       LYS  55   1.705 -13.827   3.726
  199   1HB   LYS  55          1HB       LYS  55   3.694 -15.546   2.279
  200   2HB   LYS  55          2HB       LYS  55   4.216 -14.340   3.447
  201   1HG   LYS  55          1HG       LYS  55   2.156 -16.367   4.210
  202   2HG   LYS  55          2HG       LYS  55   3.865 -16.801   4.190
  203   1HD   LYS  55          1HD       LYS  55   3.311 -16.123   6.412
  204   2HD   LYS  55          2HD       LYS  55   4.296 -14.851   5.697
  205   1HE   LYS  55          1HE       LYS  55   2.496 -13.842   6.919
  206   2HE   LYS  55          2HE       LYS  55   2.217 -13.594   5.196
  207   1HZ   LYS  55          1HZ       LYS  55   0.621 -15.387   5.211
  208   2HZ   LYS  55          2HZ       LYS  55   0.200 -14.247   6.389
  209   3HZ   LYS  55          3HZ       LYS  55   0.932 -15.706   6.844
  210    H    GLN  56           H        GLN  56   1.098 -13.165   0.815
  211    HA   GLN  56           HA       GLN  56   2.979 -10.915   0.587
  212   1HB   GLN  56          1HB       GLN  56   1.066 -12.068  -1.454
  213   2HB   GLN  56          2HB       GLN  56   2.045 -10.632  -1.714
  214   1HG   GLN  56          1HG       GLN  56   3.077 -13.414  -1.213
  215   2HG   GLN  56          2HG       GLN  56   3.023 -12.587  -2.768
  216   1HE2  GLN  56          1HE2      GLN  56   4.464 -10.888  -3.166
  217   2HE2  GLN  56          2HE2      GLN  56   5.887 -10.663  -2.214
  218    H    VAL  57           H        VAL  57   0.199 -11.632   2.002
  219    HA   VAL  57           HA       VAL  57  -1.731 -10.612   2.610
  220    HB   VAL  57           HB       VAL  57  -0.300  -8.182   2.098
  221   1HG1  VAL  57          1HG1      VAL  57  -1.657  -7.412   3.982
  222   2HG1  VAL  57          2HG1      VAL  57  -2.422  -8.999   4.080
  223   3HG1  VAL  57          3HG1      VAL  57  -2.677  -7.984   2.661
  224   1HG2  VAL  57          1HG2      VAL  57   1.177  -9.663   3.314
  225   2HG2  VAL  57          2HG2      VAL  57  -0.116 -10.042   4.451
  226   3HG2  VAL  57          3HG2      VAL  57   0.544  -8.409   4.381
  227    H    ILE  58           H        ILE  58  -2.213 -11.427   0.289
  228    HA   ILE  58           HA       ILE  58  -3.415  -9.199  -1.194
  229    HB   ILE  58           HB       ILE  58  -2.982 -10.342  -3.157
  230   1HG1  ILE  58          1HG1      ILE  58  -1.051 -11.930  -1.467
  231   2HG1  ILE  58          2HG1      ILE  58  -2.519 -12.563  -2.202
  232   1HG2  ILE  58          1HG2      ILE  58  -0.678  -9.537  -3.292
  233   2HG2  ILE  58          2HG2      ILE  58  -0.621  -9.415  -1.533
  234   3HG2  ILE  58          3HG2      ILE  58  -1.721  -8.391  -2.455
  235   1HD1  ILE  58          1HD1      ILE  58  -0.141 -11.456  -3.681
  236   2HD1  ILE  58          2HD1      ILE  58  -1.613 -12.087  -4.419
  237   3HD1  ILE  58          3HD1      ILE  58  -0.560 -13.161  -3.499
  238    H    GLY  59           H        GLY  59  -5.039  -9.917  -2.734
  239   1HA   GLY  59          1HA       GLY  59  -6.815 -11.202  -3.444
  240   2HA   GLY  59          2HA       GLY  59  -6.082 -12.574  -2.630
  241    H    LYS  60           H        LYS  60  -6.894  -9.554  -1.033
  242    HA   LYS  60           HA       LYS  60  -8.934 -11.019   0.489
  243   1HB   LYS  60          1HB       LYS  60  -7.150 -10.385   1.941
  244   2HB   LYS  60          2HB       LYS  60  -7.082  -8.771   1.251
  245   1HG   LYS  60          1HG       LYS  60  -8.083  -8.771   3.478
  246   2HG   LYS  60          2HG       LYS  60  -9.226  -8.226   2.251
  247   1HD   LYS  60          1HD       LYS  60 -10.490  -9.669   3.559
  248   2HD   LYS  60          2HD       LYS  60 -10.004 -10.679   2.197
  249   1HE   LYS  60          1HE       LYS  60  -9.707 -11.947   4.205
  250   2HE   LYS  60          2HE       LYS  60  -8.112 -11.523   3.587
  251   1HZ   LYS  60          1HZ       LYS  60  -7.873  -9.851   5.225
  252   2HZ   LYS  60          2HZ       LYS  60  -8.431 -11.230   6.039
  253   3HZ   LYS  60          3HZ       LYS  60  -9.497  -9.961   5.691
  254    H    ASN  61           H        ASN  61 -10.722 -10.563  -0.761
  255    HA   ASN  61           HA       ASN  61 -11.478  -7.716  -0.823
  256   1HB   ASN  61          1HB       ASN  61 -11.343  -8.707  -3.072
  257   2HB   ASN  61          2HB       ASN  61 -12.491  -9.954  -2.591
  258   1HD2  ASN  61          1HD2      ASN  61 -12.645  -6.554  -1.690
  259   2HD2  ASN  61          2HD2      ASN  61 -14.097  -6.201  -2.557
  260    H    PHE  62           H        PHE  62 -12.443  -7.541   1.139
  261    HA   PHE  62           HA       PHE  62 -14.940  -9.058   1.445
  262   1HB   PHE  62          1HB       PHE  62 -12.922  -9.635   3.043
  263   2HB   PHE  62          2HB       PHE  62 -13.393  -8.142   3.848
  264    HD1  PHE  62           HD1      PHE  62 -15.206  -8.088   5.324
  265    HD2  PHE  62           HD2      PHE  62 -14.629 -11.479   2.822
  266    HE1  PHE  62           HE1      PHE  62 -16.954  -9.296   6.565
  267    HE2  PHE  62           HE2      PHE  62 -16.375 -12.694   4.056
  268    HZ   PHE  62           HZ       PHE  62 -17.488 -11.648   5.958
  269    H    PHE  63           H        PHE  63 -16.626  -7.816   2.549
  270    HA   PHE  63           HA       PHE  63 -16.488  -5.096   1.635
  271   1HB   PHE  63          1HB       PHE  63 -18.726  -6.597   2.999
  272   2HB   PHE  63          2HB       PHE  63 -18.864  -4.973   2.330
  273    HD1  PHE  63           HD1      PHE  63 -18.345  -4.690  -0.167
  274    HD2  PHE  63           HD2      PHE  63 -19.120  -8.454   1.661
  275    HE1  PHE  63           HE1      PHE  63 -18.894  -5.641  -2.368
  276    HE2  PHE  63           HE2      PHE  63 -19.665  -9.413  -0.538
  277    HZ   PHE  63           HZ       PHE  63 -19.553  -8.007  -2.558
  278    H    LYS  64           H        LYS  64 -15.586  -6.547   4.489
  279    HA   LYS  64           HA       LYS  64 -14.887  -4.085   5.644
  280   1HB   LYS  64          1HB       LYS  64 -16.232  -4.215   7.734
  281   2HB   LYS  64          2HB       LYS  64 -17.180  -3.839   6.305
  282   1HG   LYS  64          1HG       LYS  64 -18.097  -6.026   6.234
  283   2HG   LYS  64          2HG       LYS  64 -16.967  -6.606   7.461
  284   1HD   LYS  64          1HD       LYS  64 -17.984  -5.161   9.122
  285   2HD   LYS  64          2HD       LYS  64 -19.065  -4.485   7.904
  286   1HE   LYS  64          1HE       LYS  64 -18.995  -7.406   8.617
  287   2HE   LYS  64          2HE       LYS  64 -20.067  -6.245   9.396
  288   1HZ   LYS  64          1HZ       LYS  64 -20.006  -6.792   6.473
  289   2HZ   LYS  64          2HZ       LYS  64 -21.088  -5.774   7.286
  290   3HZ   LYS  64          3HZ       LYS  64 -21.133  -7.448   7.558
  291    H    ASP  65           H        ASP  65 -13.027  -4.498   6.570
  292    HA   ASP  65           HA       ASP  65 -12.405  -7.180   7.506
  293   1HB   ASP  65          1HB       ASP  65 -10.762  -5.818   6.191
  294   2HB   ASP  65          2HB       ASP  65 -10.679  -4.688   7.539
  295    H    VAL  66           H        VAL  66 -13.254  -4.082   8.715
  296    HA   VAL  66           HA       VAL  66 -13.745  -3.230  10.738
  297    HB   VAL  66           HB       VAL  66 -13.837  -5.943  11.672
  298   1HG1  VAL  66          1HG1      VAL  66 -14.001  -4.183  13.363
  299   2HG1  VAL  66          2HG1      VAL  66 -15.563  -4.967  13.124
  300   3HG1  VAL  66          3HG1      VAL  66 -15.255  -3.380  12.418
  301   1HG2  VAL  66          1HG2      VAL  66 -16.143  -5.954  10.933
  302   2HG2  VAL  66          2HG2      VAL  66 -15.057  -5.767   9.557
  303   3HG2  VAL  66          3HG2      VAL  66 -15.933  -4.371  10.186
  304    H    ALA  67           H        ALA  67 -11.249  -2.995  10.313
  305    HA   ALA  67           HA       ALA  67 -10.096  -3.301  12.974
  306   1HB   ALA  67          1HB       ALA  67  -9.159  -5.172  11.708
  307   2HB   ALA  67          2HB       ALA  67  -7.918  -3.976  12.086
  308   3HB   ALA  67          3HB       ALA  67  -8.601  -4.058  10.461
  309    HA   PRO  68           HA       PRO  68  -9.704   0.944  11.255
  310   1HB   PRO  68          1HB       PRO  68 -10.248   2.227  13.581
  311   2HB   PRO  68          2HB       PRO  68 -11.508   1.643  12.490
  312   1HG   PRO  68          1HG       PRO  68 -10.466   0.424  15.010
  313   2HG   PRO  68          2HG       PRO  68 -12.136   0.530  14.426
  314   1HD   PRO  68          1HD       PRO  68 -10.610  -1.723  14.225
  315   2HD   PRO  68          2HD       PRO  68 -11.909  -1.319  13.085
  316    H    CYS  69           H        CYS  69  -8.465  -0.290  14.341
  317    HA   CYS  69           HA       CYS  69  -5.853   0.810  13.730
  318   1HB   CYS  69          1HB       CYS  69  -6.931   2.650  14.927
  319   2HB   CYS  69          2HB       CYS  69  -7.366   1.562  16.240
  320    H    THR  70           H        THR  70  -5.028  -1.263  13.668
  321    HA   THR  70           HA       THR  70  -4.765  -2.513  16.320
  322    HB   THR  70           HB       THR  70  -5.024  -3.905  13.819
  323    HG1  THR  70           HG1      THR  70  -6.864  -2.955  15.711
  324   1HG2  THR  70          1HG2      THR  70  -5.016  -4.791  16.699
  325   2HG2  THR  70          2HG2      THR  70  -3.711  -5.041  15.540
  326   3HG2  THR  70          3HG2      THR  70  -5.272  -5.824  15.294
  327    H    ASP  71           H        ASP  71  -3.590  -2.872  12.972
  328    HA   ASP  71           HA       ASP  71  -0.871  -2.318  13.737
  329   1HB   ASP  71          1HB       ASP  71  -0.961  -4.644  14.437
  330   2HB   ASP  71          2HB       ASP  71  -1.679  -5.118  12.901
  331    H    SER  72           H        SER  72   0.473  -1.976  11.901
  332    HA   SER  72           HA       SER  72  -0.951  -2.095   9.330
  333   1HB   SER  72          1HB       SER  72   1.093  -0.029  10.179
  334   2HB   SER  72          2HB       SER  72   0.222  -0.072   8.645
  335    HG   SER  72           HG       SER  72  -1.711  -0.083  10.226
  336    HA   PRO  73           HA       PRO  73   2.659  -4.776   8.610
  337   1HB   PRO  73          1HB       PRO  73   1.527  -6.111   6.537
  338   2HB   PRO  73          2HB       PRO  73   1.209  -6.523   8.226
  339   1HG   PRO  73          1HG       PRO  73  -0.446  -4.906   6.327
  340   2HG   PRO  73          2HG       PRO  73  -0.965  -6.143   7.488
  341   1HD   PRO  73          1HD       PRO  73  -1.183  -3.484   7.978
  342   2HD   PRO  73          2HD       PRO  73  -0.905  -4.677   9.263
  343    H    GLU  74           H        GLU  74   0.900  -2.563   6.667
  344    HA   GLU  74           HA       GLU  74   3.196  -2.296   4.852
  345   1HB   GLU  74          1HB       GLU  74   0.477  -2.772   4.196
  346   2HB   GLU  74          2HB       GLU  74   0.824  -1.105   3.756
  347   1HG   GLU  74          1HG       GLU  74   2.443  -3.485   2.881
  348   2HG   GLU  74          2HG       GLU  74   1.190  -2.706   1.918
  349    H    PHE  75           H        PHE  75   3.724  -0.144   4.232
  350    HA   PHE  75           HA       PHE  75   3.240   1.685   6.443
  351   1HB   PHE  75          1HB       PHE  75   5.167   1.826   4.123
  352   2HB   PHE  75          2HB       PHE  75   5.034   3.057   5.376
  353    HD1  PHE  75           HD1      PHE  75   6.570  -0.004   4.421
  354    HD2  PHE  75           HD2      PHE  75   5.401   2.306   7.801
  355    HE1  PHE  75           HE1      PHE  75   8.142  -1.270   5.830
  356    HE2  PHE  75           HE2      PHE  75   6.970   1.043   9.214
  357    HZ   PHE  75           HZ       PHE  75   8.342  -0.746   8.230
  358    H    TYR  76           H        TYR  76   1.249   2.501   6.192
  359    HA   TYR  76           HA       TYR  76   0.427   3.727   3.709
  360   1HB   TYR  76          1HB       TYR  76  -0.857   3.792   6.453
  361   2HB   TYR  76          2HB       TYR  76  -1.609   4.327   4.953
  362    HD1  TYR  76           HD1      TYR  76  -1.133   1.591   7.172
  363    HD2  TYR  76           HD2      TYR  76  -1.873   2.551   3.095
  364    HE1  TYR  76           HE1      TYR  76  -1.992  -0.682   6.801
  365    HE2  TYR  76           HE2      TYR  76  -2.733   0.281   2.711
  366    HH   TYR  76           HH       TYR  76  -2.572  -1.944   3.686
  367    H    GLY  77           H        GLY  77   0.347   5.956   3.294
  368   1HA   GLY  77          1HA       GLY  77   2.235   7.419   5.014
  369   2HA   GLY  77          2HA       GLY  77   1.928   7.763   3.318
  370    H    LYS  78           H        LYS  78  -0.247   8.561   2.794
  371    HA   LYS  78           HA       LYS  78  -1.041  10.539   4.784
  372   1HB   LYS  78          1HB       LYS  78  -1.845  10.235   1.884
  373   2HB   LYS  78          2HB       LYS  78  -2.299  11.569   2.930
  374   1HG   LYS  78          1HG       LYS  78   0.522  10.880   2.136
  375   2HG   LYS  78          2HG       LYS  78  -0.470  12.138   1.397
  376   1HD   LYS  78          1HD       LYS  78  -0.651  13.217   3.635
  377   2HD   LYS  78          2HD       LYS  78   0.486  12.018   4.255
  378   1HE   LYS  78          1HE       LYS  78   2.177  12.785   2.683
  379   2HE   LYS  78          2HE       LYS  78   1.038  13.945   2.000
  380   1HZ   LYS  78          1HZ       LYS  78   2.468  15.070   3.519
  381   2HZ   LYS  78          2HZ       LYS  78   2.159  13.948   4.751
  382   3HZ   LYS  78          3HZ       LYS  78   0.927  14.992   4.225
  383    H    PHE  79           H        PHE  79  -1.794   7.516   4.571
  384    HA   PHE  79           HA       PHE  79  -4.320   7.136   3.555
  385   1HB   PHE  79          1HB       PHE  79  -2.560   5.463   4.545
  386   2HB   PHE  79          2HB       PHE  79  -3.520   5.633   6.010
  387    HD1  PHE  79           HD1      PHE  79  -5.691   4.636   6.191
  388    HD2  PHE  79           HD2      PHE  79  -3.555   4.523   2.512
  389    HE1  PHE  79           HE1      PHE  79  -7.282   2.973   5.318
  390    HE2  PHE  79           HE2      PHE  79  -5.142   2.863   1.634
  391    HZ   PHE  79           HZ       PHE  79  -7.009   2.087   3.032
  392    H    LYS  80           H        LYS  80  -3.468   8.391   6.741
  393    HA   LYS  80           HA       LYS  80  -6.044   8.055   7.905
  394   1HB   LYS  80          1HB       LYS  80  -3.614   9.646   8.621
  395   2HB   LYS  80          2HB       LYS  80  -5.129   9.984   9.446
  396   1HG   LYS  80          1HG       LYS  80  -3.766   7.302   9.334
  397   2HG   LYS  80          2HG       LYS  80  -3.731   8.422  10.699
  398   1HD   LYS  80          1HD       LYS  80  -6.219   8.281  10.789
  399   2HD   LYS  80          2HD       LYS  80  -6.147   7.030   9.547
  400   1HE   LYS  80          1HE       LYS  80  -4.837   5.611  11.009
  401   2HE   LYS  80          2HE       LYS  80  -4.797   6.875  12.239
  402   1HZ   LYS  80          1HZ       LYS  80  -7.094   5.230  11.359
  403   2HZ   LYS  80          2HZ       LYS  80  -7.330   6.711  12.154
  404   3HZ   LYS  80          3HZ       LYS  80  -6.490   5.462  12.931
  405    H    GLU  81           H        GLU  81  -4.573  10.534   5.982
  406    HA   GLU  81           HA       GLU  81  -6.906  12.263   6.190
  407   1HB   GLU  81          1HB       GLU  81  -4.592  13.212   6.046
  408   2HB   GLU  81          2HB       GLU  81  -4.429  12.502   4.448
  409   1HG   GLU  81          1HG       GLU  81  -4.937  14.765   4.114
  410   2HG   GLU  81          2HG       GLU  81  -6.416  13.873   3.759
  411    H    GLY  82           H        GLY  82  -5.321  10.066   3.982
  412   1HA   GLY  82          1HA       GLY  82  -6.446  10.659   1.582
  413   2HA   GLY  82          2HA       GLY  82  -5.898   9.079   2.059
  414    H    VAL  83           H        VAL  83  -7.605   8.594   4.125
  415    HA   VAL  83           HA       VAL  83  -9.833   7.500   2.759
  416    HB   VAL  83           HB       VAL  83  -9.329   8.012   5.540
  417   1HG1  VAL  83          1HG1      VAL  83 -11.400   6.288   4.169
  418   2HG1  VAL  83          2HG1      VAL  83 -11.718   7.718   5.153
  419   3HG1  VAL  83          3HG1      VAL  83 -11.039   6.269   5.896
  420   1HG2  VAL  83          1HG2      VAL  83  -8.943   5.603   3.778
  421   2HG2  VAL  83          2HG2      VAL  83  -8.712   5.648   5.526
  422   3HG2  VAL  83          3HG2      VAL  83  -7.671   6.607   4.474
  423    H    ALA  84           H        ALA  84  -9.541  10.261   5.000
  424    HA   ALA  84           HA       ALA  84 -12.409  10.621   4.855
  425   1HB   ALA  84          1HB       ALA  84 -10.420  12.168   6.501
  426   2HB   ALA  84          2HB       ALA  84 -11.264  10.716   7.039
  427   3HB   ALA  84          3HB       ALA  84 -12.173  12.184   6.678
  428    H    SER  85           H        SER  85  -9.528  12.202   3.735
  429    HA   SER  85           HA       SER  85 -10.902  14.553   2.847
  430   1HB   SER  85          1HB       SER  85  -8.851  14.987   1.542
  431   2HB   SER  85          2HB       SER  85  -8.469  14.565   3.211
  432    HG   SER  85           HG       SER  85  -7.460  13.465   1.123
  433    H    GLY  86           H        GLY  86 -10.272  11.360   1.640
  434   1HA   GLY  86          1HA       GLY  86 -11.340  10.215  -0.059
  435   2HA   GLY  86          2HA       GLY  86 -12.285  11.664  -0.394
  436    H    ASN  87           H        ASN  87  -8.846  11.781  -0.193
  437    HA   ASN  87           HA       ASN  87  -8.534  11.670  -3.067
  438   1HB   ASN  87          1HB       ASN  87  -7.489  13.926  -3.222
  439   2HB   ASN  87          2HB       ASN  87  -9.206  13.970  -2.855
  440   1HD2  ASN  87          1HD2      ASN  87  -9.178  15.976  -1.954
  441   2HD2  ASN  87          2HD2      ASN  87  -8.408  16.328  -0.439
  442    H    LEU  88           H        LEU  88  -7.533   9.932  -1.374
  443    HA   LEU  88           HA       LEU  88  -4.867  10.467  -0.579
  444   1HB   LEU  88          1HB       LEU  88  -6.626   8.490  -0.085
  445   2HB   LEU  88          2HB       LEU  88  -5.596   7.704  -1.270
  446    HG   LEU  88           HG       LEU  88  -4.662   9.030   1.220
  447   1HD1  LEU  88          1HD1      LEU  88  -5.970   7.084   1.785
  448   2HD1  LEU  88          2HD1      LEU  88  -4.264   6.731   2.051
  449   3HD1  LEU  88          3HD1      LEU  88  -5.078   6.108   0.617
  450   1HD2  LEU  88          1HD2      LEU  88  -3.183   7.279  -0.732
  451   2HD2  LEU  88          2HD2      LEU  88  -2.537   7.879   0.796
  452   3HD2  LEU  88          3HD2      LEU  88  -2.950   9.011  -0.492
  453    H    ASN  89           H        ASN  89  -4.167  11.504  -2.613
  454    HA   ASN  89           HA       ASN  89  -2.785   9.455  -4.144
  455   1HB   ASN  89          1HB       ASN  89  -3.335  10.475  -6.320
  456   2HB   ASN  89          2HB       ASN  89  -4.788   9.928  -5.488
  457   1HD2  ASN  89          1HD2      ASN  89  -3.121  12.625  -6.818
  458   2HD2  ASN  89          2HD2      ASN  89  -4.355  13.797  -6.513
  459    H    THR  90           H        THR  90  -0.791   9.938  -3.367
  460    HA   THR  90           HA       THR  90   0.335  12.537  -4.072
  461    HB   THR  90           HB       THR  90   0.657  11.452  -1.433
  462    HG1  THR  90           HG1      THR  90  -1.433  12.966  -2.557
  463   1HG2  THR  90          1HG2      THR  90   1.271  13.767  -0.966
  464   2HG2  THR  90          2HG2      THR  90   1.032  14.172  -2.666
  465   3HG2  THR  90          3HG2      THR  90   2.313  13.056  -2.198
  466    H    MET  91           H        MET  91   2.645  12.524  -4.023
  467    HA   MET  91           HA       MET  91   3.851   9.848  -3.761
  468   1HB   MET  91          1HB       MET  91   5.597  10.644  -5.356
  469   2HB   MET  91          2HB       MET  91   3.991  10.535  -6.059
  470   1HG   MET  91          1HG       MET  91   3.722  12.957  -5.784
  471   2HG   MET  91          2HG       MET  91   5.355  13.048  -5.125
  472   1HE   MET  91          1HE       MET  91   5.658  14.707  -8.675
  473   2HE   MET  91          2HE       MET  91   5.864  14.938  -6.939
  474   3HE   MET  91          3HE       MET  91   4.246  14.762  -7.619
  475    H    PHE  92           H        PHE  92   5.644   9.637  -2.533
  476    HA   PHE  92           HA       PHE  92   7.097  11.866  -1.450
  477   1HB   PHE  92          1HB       PHE  92   5.066  11.976  -0.074
  478   2HB   PHE  92          2HB       PHE  92   5.225  10.272   0.326
  479    HD1  PHE  92           HD1      PHE  92   7.211  13.422   0.524
  480    HD2  PHE  92           HD2      PHE  92   6.133   9.743   2.372
  481    HE1  PHE  92           HE1      PHE  92   8.548  14.025   2.501
  482    HE2  PHE  92           HE2      PHE  92   7.469  10.339   4.349
  483    HZ   PHE  92           HZ       PHE  92   8.649  12.461   4.439
  484    H    GLU  93           H        GLU  93   9.012  11.152  -0.385
  485    HA   GLU  93           HA       GLU  93   9.635   8.338  -0.865
  486   1HB   GLU  93          1HB       GLU  93  11.437  10.585   0.088
  487   2HB   GLU  93          2HB       GLU  93  11.958   8.954  -0.296
  488   1HG   GLU  93          1HG       GLU  93  12.549  10.164  -2.163
  489   2HG   GLU  93          2HG       GLU  93  11.022   9.422  -2.636
  490    H    TYR  94           H        TYR  94   9.494   6.887   0.709
  491    HA   TYR  94           HA       TYR  94   9.390   7.859   3.489
  492   1HB   TYR  94          1HB       TYR  94   7.260   6.889   2.559
  493   2HB   TYR  94          2HB       TYR  94   8.096   5.349   2.402
  494    HD1  TYR  94           HD1      TYR  94   8.631   4.017   4.357
  495    HD2  TYR  94           HD2      TYR  94   6.655   7.766   4.753
  496    HE1  TYR  94           HE1      TYR  94   8.057   3.462   6.683
  497    HE2  TYR  94           HE2      TYR  94   6.082   7.222   7.080
  498    HH   TYR  94           HH       TYR  94   5.769   5.147   8.475
  499    H    THR  95           H        THR  95  10.695   6.940   4.976
  500    HA   THR  95           HA       THR  95  12.236   4.588   4.137
  501    HB   THR  95           HB       THR  95  13.518   6.433   4.022
  502    HG1  THR  95           HG1      THR  95  14.733   4.759   4.640
  503   1HG2  THR  95          1HG2      THR  95  14.092   7.733   5.988
  504   2HG2  THR  95          2HG2      THR  95  12.905   6.844   6.943
  505   3HG2  THR  95          3HG2      THR  95  12.376   7.883   5.618
  506    H    PHE  96           H        PHE  96  12.821   3.125   5.760
  507    HA   PHE  96           HA       PHE  96  11.571   3.558   8.375
  508   1HB   PHE  96          1HB       PHE  96  11.021   1.078   8.398
  509   2HB   PHE  96          2HB       PHE  96  10.047   2.079   7.331
  510    HD1  PHE  96           HD1      PHE  96  12.340  -0.695   7.561
  511    HD2  PHE  96           HD2      PHE  96  10.453   2.015   4.877
  512    HE1  PHE  96           HE1      PHE  96  12.857  -2.200   5.682
  513    HE2  PHE  96           HE2      PHE  96  10.976   0.523   2.993
  514    HZ   PHE  96           HZ       PHE  96  12.177  -1.592   3.395
  515    H    ASP  97           H        ASP  97  14.325   3.315   6.847
  516    HA   ASP  97           HA       ASP  97  15.734   2.739   9.265
  517   1HB   ASP  97          1HB       ASP  97  17.233   1.017   8.335
  518   2HB   ASP  97          2HB       ASP  97  15.573   0.448   8.421
  519    H    TYR  98           H        TYR  98  17.706   3.787   9.294
  520    HA   TYR  98           HA       TYR  98  18.372   5.318   6.892
  521   1HB   TYR  98          1HB       TYR  98  18.465   7.393   8.372
  522   2HB   TYR  98          2HB       TYR  98  16.867   6.800   7.938
  523    HD1  TYR  98           HD1      TYR  98  19.398   6.489  10.672
  524    HD2  TYR  98           HD2      TYR  98  15.281   6.570   9.610
  525    HE1  TYR  98           HE1      TYR  98  18.791   6.413  13.050
  526    HE2  TYR  98           HE2      TYR  98  14.664   6.492  11.987
  527    HH   TYR  98           HH       TYR  98  15.474   6.007  14.090
  528    H    GLN  99           H        GLN  99  20.395   6.418   6.982
  529    HA   GLN  99           HA       GLN  99  22.584   6.699   7.420
  530   1HB   GLN  99          1HB       GLN  99  21.612   5.976  10.144
  531   2HB   GLN  99          2HB       GLN  99  23.345   6.008   9.847
  532   1HG   GLN  99          1HG       GLN  99  22.742   8.122  10.718
  533   2HG   GLN  99          2HG       GLN  99  23.083   8.342   9.006
  534   1HE2  GLN  99          1HE2      GLN  99  21.394   8.814   7.591
  535   2HE2  GLN  99          2HE2      GLN  99  19.846   9.365   8.160
  536    H    MET 100           H        MET 100  21.680   3.673   9.091
  537    HA   MET 100           HA       MET 100  24.025   2.264   8.434
  538   1HB   MET 100          1HB       MET 100  21.232   1.235   8.975
  539   2HB   MET 100          2HB       MET 100  22.666   0.224   8.895
  540   1HG   MET 100          1HG       MET 100  23.605   1.318  10.816
  541   2HG   MET 100          2HG       MET 100  22.270   2.471  10.851
  542   1HE   MET 100          1HE       MET 100  21.650   0.298  14.051
  543   2HE   MET 100          2HE       MET 100  21.902   1.925  13.418
  544   3HE   MET 100          3HE       MET 100  23.216   0.749  13.380
  545    H    THR 101           H        THR 101  20.830   2.236   6.916
  546    HA   THR 101           HA       THR 101  22.139   1.603   4.374
  547    HB   THR 101           HB       THR 101  19.775   0.752   4.003
  548    HG1  THR 101           HG1      THR 101  18.889   0.583   5.946
  549   1HG2  THR 101          1HG2      THR 101  22.107  -0.759   5.159
  550   2HG2  THR 101          2HG2      THR 101  21.898  -0.332   3.461
  551   3HG2  THR 101          3HG2      THR 101  20.772  -1.446   4.236
  552    HA   PRO 102           HA       PRO 102  19.700   5.045   2.984
  553   1HB   PRO 102          1HB       PRO 102  20.297   4.641   0.284
  554   2HB   PRO 102          2HB       PRO 102  21.288   5.531   1.438
  555   1HG   PRO 102          1HG       PRO 102  21.940   3.093   0.159
  556   2HG   PRO 102          2HG       PRO 102  22.836   3.885   1.464
  557   1HD   PRO 102          1HD       PRO 102  20.901   1.633   1.584
  558   2HD   PRO 102          2HD       PRO 102  22.293   1.990   2.630
  559    H    THR 103           H        THR 103  18.082   2.772   3.468
  560    HA   THR 103           HA       THR 103  16.625   2.047   1.127
  561    HB   THR 103           HB       THR 103  15.703   2.036   3.841
  562    HG1  THR 103           HG1      THR 103  17.223   0.622   4.209
  563   1HG2  THR 103          1HG2      THR 103  15.160   0.327   1.420
  564   2HG2  THR 103          2HG2      THR 103  14.061   1.518   2.116
  565   3HG2  THR 103          3HG2      THR 103  14.497   0.078   3.036
  566    H    LYS 104           H        LYS 104  15.861   3.805   0.083
  567    HA   LYS 104           HA       LYS 104  13.776   5.356   1.463
  568   1HB   LYS 104          1HB       LYS 104  15.971   6.570   0.830
  569   2HB   LYS 104          2HB       LYS 104  15.422   6.406  -0.830
  570   1HG   LYS 104          1HG       LYS 104  13.269   7.538  -0.038
  571   2HG   LYS 104          2HG       LYS 104  14.196   7.991   1.393
  572   1HD   LYS 104          1HD       LYS 104  14.752   8.724  -1.476
  573   2HD   LYS 104          2HD       LYS 104  14.320   9.804  -0.151
  574   1HE   LYS 104          1HE       LYS 104  16.436   9.295   0.961
  575   2HE   LYS 104          2HE       LYS 104  16.859   8.192  -0.349
  576   1HZ   LYS 104          1HZ       LYS 104  16.565  10.214  -1.845
  577   2HZ   LYS 104          2HZ       LYS 104  17.952  10.161  -0.875
  578   3HZ   LYS 104          3HZ       LYS 104  16.640  11.139  -0.425
  579    H    VAL 105           H        VAL 105  11.879   4.634   0.652
  580    HA   VAL 105           HA       VAL 105  11.810   3.920  -2.179
  581    HB   VAL 105           HB       VAL 105   9.806   2.928  -1.768
  582   1HG1  VAL 105          1HG1      VAL 105  10.779   1.037  -0.521
  583   2HG1  VAL 105          2HG1      VAL 105  12.132   2.068  -0.053
  584   3HG1  VAL 105          3HG1      VAL 105  11.871   1.668  -1.751
  585   1HG2  VAL 105          1HG2      VAL 105  10.351   3.596   1.114
  586   2HG2  VAL 105          2HG2      VAL 105   9.123   2.466   0.538
  587   3HG2  VAL 105          3HG2      VAL 105   9.006   4.179   0.133
  588    H    LYS 106           H        LYS 106   9.948   4.457  -3.394
  589    HA   LYS 106           HA       LYS 106   8.943   7.138  -2.734
  590   1HB   LYS 106          1HB       LYS 106   9.031   5.562  -5.327
  591   2HB   LYS 106          2HB       LYS 106   8.252   7.125  -5.165
  592   1HG   LYS 106          1HG       LYS 106  11.116   6.868  -4.404
  593   2HG   LYS 106          2HG       LYS 106  10.677   6.912  -6.113
  594   1HD   LYS 106          1HD       LYS 106   9.408   9.006  -5.661
  595   2HD   LYS 106          2HD       LYS 106  10.042   8.983  -4.016
  596   1HE   LYS 106          1HE       LYS 106  12.291   9.202  -4.813
  597   2HE   LYS 106          2HE       LYS 106  11.769   8.999  -6.485
  598   1HZ   LYS 106          1HZ       LYS 106  10.551  11.070  -6.334
  599   2HZ   LYS 106          2HZ       LYS 106  12.183  11.324  -5.954
  600   3HZ   LYS 106          3HZ       LYS 106  11.020  11.265  -4.715
  601    H    VAL 107           H        VAL 107   6.923   7.225  -1.939
  602    HA   VAL 107           HA       VAL 107   5.136   4.945  -2.411
  603    HB   VAL 107           HB       VAL 107   4.374   7.255  -0.945
  604   1HG1  VAL 107          1HG1      VAL 107   3.227   5.494   0.329
  605   2HG1  VAL 107          2HG1      VAL 107   3.924   4.278  -0.741
  606   3HG1  VAL 107          3HG1      VAL 107   2.799   5.475  -1.382
  607   1HG2  VAL 107          1HG2      VAL 107   6.266   5.125   0.059
  608   2HG2  VAL 107          2HG2      VAL 107   5.400   6.284   1.067
  609   3HG2  VAL 107          3HG2      VAL 107   6.608   6.849  -0.087
  610    H    HIS 108           H        HIS 108   4.307   5.255  -4.434
  611    HA   HIS 108           HA       HIS 108   2.876   7.787  -4.797
  612   1HB   HIS 108          1HB       HIS 108   4.339   6.790  -6.681
  613   2HB   HIS 108          2HB       HIS 108   3.052   5.600  -6.867
  614    HD1  HIS 108           HD1      HIS 108   1.962   6.316  -9.016
  615    HD2  HIS 108           HD2      HIS 108   2.582   9.498  -6.407
  616    HE1  HIS 108           HE1      HIS 108   0.823   8.290 -10.070
  617    HE2  HIS 108           HE2      HIS 108   1.365  10.243  -8.565
  618    H    MET 109           H        MET 109   1.084   7.662  -3.668
  619    HA   MET 109           HA       MET 109  -0.593   5.264  -3.962
  620   1HB   MET 109          1HB       MET 109  -0.558   7.449  -1.873
  621   2HB   MET 109          2HB       MET 109  -1.870   6.288  -2.011
  622   1HG   MET 109          1HG       MET 109  -0.305   4.462  -1.603
  623   2HG   MET 109          2HG       MET 109   1.018   5.619  -1.483
  624   1HE   MET 109          1HE       MET 109   0.483   4.273   2.187
  625   2HE   MET 109          2HE       MET 109   1.612   4.403   0.838
  626   3HE   MET 109          3HE       MET 109   0.194   3.364   0.704
  627    H    LYS 110           H        LYS 110  -2.716   5.494  -4.690
  628    HA   LYS 110           HA       LYS 110  -3.575   8.175  -5.395
  629   1HB   LYS 110          1HB       LYS 110  -4.017   7.638  -7.736
  630   2HB   LYS 110          2HB       LYS 110  -2.300   7.504  -7.386
  631   1HG   LYS 110          1HG       LYS 110  -2.308   5.199  -7.568
  632   2HG   LYS 110          2HG       LYS 110  -4.046   5.083  -7.286
  633   1HD   LYS 110          1HD       LYS 110  -3.654   4.629  -9.595
  634   2HD   LYS 110          2HD       LYS 110  -4.403   6.219  -9.480
  635   1HE   LYS 110          1HE       LYS 110  -2.102   7.205  -9.615
  636   2HE   LYS 110          2HE       LYS 110  -1.499   5.584  -9.965
  637   1HZ   LYS 110          1HZ       LYS 110  -3.333   7.244 -11.596
  638   2HZ   LYS 110          2HZ       LYS 110  -3.158   5.578 -11.854
  639   3HZ   LYS 110          3HZ       LYS 110  -1.821   6.609 -12.034
  640    H    LYS 111           H        LYS 111  -5.652   8.335  -4.897
  641    HA   LYS 111           HA       LYS 111  -7.366   6.280  -4.339
  642   1HB   LYS 111          1HB       LYS 111  -7.784   8.584  -3.826
  643   2HB   LYS 111          2HB       LYS 111  -7.813   9.002  -5.527
  644   1HG   LYS 111          1HG       LYS 111  -9.847   7.703  -5.841
  645   2HG   LYS 111          2HG       LYS 111  -9.813   7.228  -4.138
  646   1HD   LYS 111          1HD       LYS 111 -10.006   9.562  -3.474
  647   2HD   LYS 111          2HD       LYS 111 -10.003  10.048  -5.171
  648   1HE   LYS 111          1HE       LYS 111 -12.275  10.036  -4.301
  649   2HE   LYS 111          2HE       LYS 111 -12.087   8.766  -5.509
  650   1HZ   LYS 111          1HZ       LYS 111 -13.309   8.156  -3.401
  651   2HZ   LYS 111          2HZ       LYS 111 -11.814   8.229  -2.609
  652   3HZ   LYS 111          3HZ       LYS 111 -12.053   7.116  -3.860
  653    H    ALA 112           H        ALA 112  -7.856   4.647  -5.573
  654    HA   ALA 112           HA       ALA 112  -7.239   4.332  -8.239
  655   1HB   ALA 112          1HB       ALA 112  -7.718   2.474  -6.717
  656   2HB   ALA 112          2HB       ALA 112  -8.685   2.369  -8.190
  657   3HB   ALA 112          3HB       ALA 112  -9.420   2.936  -6.691
  658    H    LEU 113           H        LEU 113  -8.428   4.513 -10.155
  659    HA   LEU 113           HA       LEU 113 -10.333   6.591 -10.280
  660   1HB   LEU 113          1HB       LEU 113  -9.413   4.511 -12.234
  661   2HB   LEU 113          2HB       LEU 113 -10.750   5.567 -12.632
  662    HG   LEU 113           HG       LEU 113  -9.256   7.528 -12.322
  663   1HD1  LEU 113          1HD1      LEU 113  -6.830   7.169 -12.252
  664   2HD1  LEU 113          2HD1      LEU 113  -7.103   5.442 -12.019
  665   3HD1  LEU 113          3HD1      LEU 113  -7.632   6.592 -10.790
  666   1HD2  LEU 113          1HD2      LEU 113  -8.324   5.467 -14.307
  667   2HD2  LEU 113          2HD2      LEU 113  -7.966   7.191 -14.375
  668   3HD2  LEU 113          3HD2      LEU 113  -9.630   6.632 -14.534
  669    H    SER 114           H        SER 114 -10.593   3.268  -9.601
  670    HA   SER 114           HA       SER 114 -13.279   2.768 -10.218
  671   1HB   SER 114          1HB       SER 114 -11.750   1.654  -7.856
  672   2HB   SER 114          2HB       SER 114 -13.077   0.892  -8.736
  673    HG   SER 114           HG       SER 114 -11.645   0.094 -10.036
  674    H    GLY 115           H        GLY 115 -11.722   4.200  -7.367
  675   1HA   GLY 115          1HA       GLY 115 -12.944   6.079  -6.362
  676   2HA   GLY 115          2HA       GLY 115 -14.399   5.110  -6.516
  677    H    ASP 116           H        ASP 116 -13.990   2.804  -5.419
  678    HA   ASP 116           HA       ASP 116 -13.724   3.516  -2.620
  679   1HB   ASP 116          1HB       ASP 116 -14.754   1.260  -2.245
  680   2HB   ASP 116          2HB       ASP 116 -15.726   2.337  -3.239
  681    H    SER 117           H        SER 117 -11.280   3.464  -3.815
  682    HA   SER 117           HA       SER 117  -9.849   1.555  -2.265
  683   1HB   SER 117          1HB       SER 117  -8.764   0.538  -4.389
  684   2HB   SER 117          2HB       SER 117 -10.315  -0.078  -3.829
  685    HG   SER 117           HG       SER 117 -11.030   0.406  -5.739
  686    H    TYR 118           H        TYR 118  -7.538   1.783  -2.511
  687    HA   TYR 118           HA       TYR 118  -6.617   4.152  -3.977
  688   1HB   TYR 118          1HB       TYR 118  -6.001   3.667  -1.043
  689   2HB   TYR 118          2HB       TYR 118  -5.411   5.005  -2.030
  690    HD1  TYR 118           HD1      TYR 118  -8.175   3.690  -0.116
  691    HD2  TYR 118           HD2      TYR 118  -6.927   6.777  -2.728
  692    HE1  TYR 118           HE1      TYR 118 -10.115   5.039   0.578
  693    HE2  TYR 118           HE2      TYR 118  -8.860   8.150  -2.049
  694    HH   TYR 118           HH       TYR 118 -11.018   7.942  -1.044
  695    H    TRP 119           H        TRP 119  -4.577   3.898  -4.841
  696    HA   TRP 119           HA       TRP 119  -3.485   1.224  -4.647
  697   1HB   TRP 119          1HB       TRP 119  -2.860   3.611  -6.366
  698   2HB   TRP 119          2HB       TRP 119  -1.906   2.119  -6.410
  699    HD1  TRP 119           HD1      TRP 119  -5.616   3.176  -6.917
  700    HE1  TRP 119           HE1      TRP 119  -6.579   1.649  -8.783
  701    HE3  TRP 119           HE3      TRP 119  -1.533   0.261  -7.764
  702    HZ2  TRP 119           HZ2      TRP 119  -5.687  -0.513 -10.378
  703    HZ3  TRP 119           HZ3      TRP 119  -1.639  -1.481  -9.448
  704    HH2  TRP 119           HH2      TRP 119  -3.676  -1.872 -10.754
  705    H    VAL 120           H        VAL 120  -1.233   0.887  -4.516
  706    HA   VAL 120           HA       VAL 120   0.377   2.913  -3.131
  707    HB   VAL 120           HB       VAL 120   0.157   0.112  -2.483
  708   1HG1  VAL 120          1HG1      VAL 120   1.722   0.705  -0.682
  709   2HG1  VAL 120          2HG1      VAL 120   1.868   2.328  -1.356
  710   3HG1  VAL 120          3HG1      VAL 120   2.441   0.937  -2.276
  711   1HG2  VAL 120          1HG2      VAL 120  -1.743   1.350  -1.667
  712   2HG2  VAL 120          2HG2      VAL 120  -0.676   2.577  -0.983
  713   3HG2  VAL 120          3HG2      VAL 120  -0.662   0.936  -0.336
  714    H    PHE 121           H        PHE 121   1.940   3.257  -4.634
  715    HA   PHE 121           HA       PHE 121   3.228   0.897  -5.855
  716   1HB   PHE 121          1HB       PHE 121   3.366   3.785  -6.720
  717   2HB   PHE 121          2HB       PHE 121   4.139   2.442  -7.533
  718    HD1  PHE 121           HD1      PHE 121   0.965   4.153  -6.906
  719    HD2  PHE 121           HD2      PHE 121   2.883   0.939  -8.928
  720    HE1  PHE 121           HE1      PHE 121  -1.010   3.886  -8.346
  721    HE2  PHE 121           HE2      PHE 121   0.909   0.665 -10.370
  722    HZ   PHE 121           HZ       PHE 121  -1.039   2.138 -10.083
  723    H    VAL 122           H        VAL 122   4.949   0.336  -4.640
  724    HA   VAL 122           HA       VAL 122   6.621   2.486  -3.513
  725    HB   VAL 122           HB       VAL 122   6.519  -0.333  -2.940
  726   1HG1  VAL 122          1HG1      VAL 122   7.996   1.963  -1.651
  727   2HG1  VAL 122          2HG1      VAL 122   8.727   0.633  -2.551
  728   3HG1  VAL 122          3HG1      VAL 122   7.905   0.318  -1.022
  729   1HG2  VAL 122          1HG2      VAL 122   4.484   0.838  -2.294
  730   2HG2  VAL 122          2HG2      VAL 122   5.450   2.050  -1.449
  731   3HG2  VAL 122          3HG2      VAL 122   5.446   0.377  -0.889
  732    H    LYS 123           H        LYS 123   8.549   2.872  -4.399
  733    HA   LYS 123           HA       LYS 123  10.077   0.725  -5.624
  734   1HB   LYS 123          1HB       LYS 123   9.376   3.295  -7.061
  735   2HB   LYS 123          2HB       LYS 123  10.649   2.201  -7.577
  736   1HG   LYS 123          1HG       LYS 123   8.920   0.423  -7.827
  737   2HG   LYS 123          2HG       LYS 123   7.696   1.646  -7.484
  738   1HD   LYS 123          1HD       LYS 123   8.485   2.956  -9.408
  739   2HD   LYS 123          2HD       LYS 123   9.675   1.702  -9.761
  740   1HE   LYS 123          1HE       LYS 123   7.860   0.087 -10.088
  741   2HE   LYS 123          2HE       LYS 123   6.679   1.353  -9.756
  742   1HZ   LYS 123          1HZ       LYS 123   7.652   2.578 -11.690
  743   2HZ   LYS 123          2HZ       LYS 123   6.848   1.139 -12.089
  744   3HZ   LYS 123          3HZ       LYS 123   8.543   1.180 -12.060
  745    H    ARG 124           H        ARG 124  12.291   1.029  -5.362
  746    HA   ARG 124           HA       ARG 124  12.923   3.018  -3.352
  747   1HB   ARG 124          1HB       ARG 124  15.033   1.900  -3.097
  748   2HB   ARG 124          2HB       ARG 124  13.770   0.683  -3.182
  749   1HG   ARG 124          1HG       ARG 124  14.378   0.055  -5.363
  750   2HG   ARG 124          2HG       ARG 124  15.389   1.486  -5.576
  751   1HD   ARG 124          1HD       ARG 124  16.894   0.657  -3.817
  752   2HD   ARG 124          2HD       ARG 124  15.899  -0.789  -3.667
  753    HE   ARG 124           HE       ARG 124  16.504  -1.185  -6.086
  754   1HH1  ARG 124          1HH1      ARG 124  18.581   0.691  -3.975
  755   2HH1  ARG 124          2HH1      ARG 124  20.042   0.212  -4.791
  756   1HH2  ARG 124          1HH2      ARG 124  18.436  -1.810  -7.150
  757   2HH2  ARG 124          2HH2      ARG 124  19.963  -1.197  -6.573
  758    H    VAL 125           H        VAL 125  14.640   4.481  -3.473
  759    HA   VAL 125           HA       VAL 125  14.982   5.751  -6.018
  760    HB   VAL 125           HB       VAL 125  16.412   6.083  -3.542
  761   1HG1  VAL 125          1HG1      VAL 125  16.919   8.290  -4.495
  762   2HG1  VAL 125          2HG1      VAL 125  16.138   7.813  -6.003
  763   3HG1  VAL 125          3HG1      VAL 125  17.602   6.987  -5.470
  764   1HG2  VAL 125          1HG2      VAL 125  13.949   7.418  -4.636
  765   2HG2  VAL 125          2HG2      VAL 125  14.863   7.957  -3.228
  766   3HG2  VAL 125          3HG2      VAL 125  14.049   6.393  -3.204
  767    H2   HC4 169           H2       HC4 169  -6.665   1.903  18.650
  768    H3   HC4 169           H3       HC4 169  -7.578   3.028  20.262
  769    H2'  HC4 169           H2'      HC4 169  -8.267   4.919  21.591
  770    H3'  HC4 169           H3'      HC4 169  -8.239   7.300  22.187
  771    H5'  HC4 169           H5'      HC4 169  -5.838   8.117  18.770
  772    H6'  HC4 169           H6'      HC4 169  -5.824   5.731  18.217
  773   'HO4  HC4 169          'HO4      HC4 169  -7.242   9.712  20.047
  Start of MODEL   10
    1    H    LEU  26           H        LEU  26   6.909  -1.414 -14.448
    2    HA   LEU  26           HA       LEU  26   7.082  -4.358 -14.261
    3   1HB   LEU  26          1HB       LEU  26   8.215  -2.079 -12.651
    4   2HB   LEU  26          2HB       LEU  26   8.109  -3.708 -12.013
    5    HG   LEU  26           HG       LEU  26   9.653  -2.941 -14.494
    6   1HD1  LEU  26          1HD1      LEU  26  11.644  -3.245 -13.112
    7   2HD1  LEU  26          2HD1      LEU  26  10.626  -3.516 -11.697
    8   3HD1  LEU  26          3HD1      LEU  26  10.631  -1.941 -12.491
    9   1HD2  LEU  26          1HD2      LEU  26  10.631  -5.171 -14.261
   10   2HD2  LEU  26          2HD2      LEU  26   8.885  -5.260 -14.489
   11   3HD2  LEU  26          3HD2      LEU  26   9.577  -5.494 -12.884
   12    H    ALA  27           H        ALA  27   5.429  -5.320 -13.349
   13    HA   ALA  27           HA       ALA  27   3.304  -3.887 -12.097
   14   1HB   ALA  27          1HB       ALA  27   2.336  -6.081 -11.696
   15   2HB   ALA  27          2HB       ALA  27   3.858  -6.849 -12.143
   16   3HB   ALA  27          3HB       ALA  27   2.933  -5.956 -13.351
   17    H    PHE  28           H        PHE  28   6.079  -5.725 -10.945
   18    HA   PHE  28           HA       PHE  28   5.358  -5.824  -8.223
   19   1HB   PHE  28          1HB       PHE  28   8.033  -5.912  -9.614
   20   2HB   PHE  28          2HB       PHE  28   7.884  -6.022  -7.864
   21    HD1  PHE  28           HD1      PHE  28   7.825  -7.813 -10.937
   22    HD2  PHE  28           HD2      PHE  28   6.413  -7.886  -6.925
   23    HE1  PHE  28           HE1      PHE  28   7.445 -10.238 -11.116
   24    HE2  PHE  28           HE2      PHE  28   6.030 -10.309  -7.099
   25    HZ   PHE  28           HZ       PHE  28   6.550 -11.489  -9.195
   26    H    GLY  29           H        GLY  29   5.444  -4.364  -6.642
   27   1HA   GLY  29          1HA       GLY  29   6.278  -2.327  -5.648
   28   2HA   GLY  29          2HA       GLY  29   6.589  -1.721  -7.272
   29    H    ALA  30           H        ALA  30   3.943  -2.988  -8.069
   30    HA   ALA  30           HA       ALA  30   2.310  -0.700  -7.191
   31   1HB   ALA  30          1HB       ALA  30   2.097  -2.325  -9.730
   32   2HB   ALA  30          2HB       ALA  30   2.836  -0.730  -9.589
   33   3HB   ALA  30          3HB       ALA  30   1.107  -0.929  -9.303
   34    H    ILE  31           H        ILE  31   1.041  -1.390  -5.565
   35    HA   ILE  31           HA       ILE  31  -0.636  -3.730  -6.146
   36    HB   ILE  31           HB       ILE  31   0.740  -4.309  -4.589
   37   1HG1  ILE  31          1HG1      ILE  31  -1.772  -4.711  -4.347
   38   2HG1  ILE  31          2HG1      ILE  31  -0.669  -5.211  -3.088
   39   1HG2  ILE  31          1HG2      ILE  31   0.035  -1.803  -3.098
   40   2HG2  ILE  31          2HG2      ILE  31   1.599  -2.215  -3.800
   41   3HG2  ILE  31          3HG2      ILE  31   0.980  -3.132  -2.427
   42   1HD1  ILE  31          1HD1      ILE  31  -2.368  -2.722  -3.052
   43   2HD1  ILE  31          2HD1      ILE  31  -1.250  -3.228  -1.784
   44   3HD1  ILE  31          3HD1      ILE  31  -2.671  -4.208  -2.149
   45    H    GLN  32           H        GLN  32  -2.773  -3.539  -5.808
   46    HA   GLN  32           HA       GLN  32  -3.694  -0.826  -5.138
   47   1HB   GLN  32          1HB       GLN  32  -5.622  -1.210  -6.554
   48   2HB   GLN  32          2HB       GLN  32  -4.145  -1.505  -7.458
   49   1HG   GLN  32          1HG       GLN  32  -4.446  -3.908  -7.156
   50   2HG   GLN  32          2HG       GLN  32  -5.946  -3.606  -6.280
   51   1HE2  GLN  32          1HE2      GLN  32  -7.732  -2.804  -7.412
   52   2HE2  GLN  32          2HE2      GLN  32  -7.861  -2.971  -9.132
   53    H    LEU  33           H        LEU  33  -4.878  -0.551  -3.416
   54    HA   LEU  33           HA       LEU  33  -6.270  -2.896  -2.281
   55   1HB   LEU  33          1HB       LEU  33  -5.837  -1.881  -0.024
   56   2HB   LEU  33          2HB       LEU  33  -4.443  -2.560  -0.833
   57    HG   LEU  33           HG       LEU  33  -3.943  -0.130  -1.566
   58   1HD1  LEU  33          1HD1      LEU  33  -4.739   1.574  -0.002
   59   2HD1  LEU  33          2HD1      LEU  33  -5.794   0.380   0.757
   60   3HD1  LEU  33          3HD1      LEU  33  -6.063   0.858  -0.920
   61   1HD2  LEU  33          1HD2      LEU  33  -2.598  -1.418   0.009
   62   2HD2  LEU  33          2HD2      LEU  33  -3.687  -0.963   1.320
   63   3HD2  LEU  33          3HD2      LEU  33  -2.723   0.269   0.506
   64    H    ASP  34           H        ASP  34  -8.068  -2.303  -0.854
   65    HA   ASP  34           HA       ASP  34  -9.590  -0.196  -2.185
   66   1HB   ASP  34          1HB       ASP  34 -11.557  -1.062  -1.117
   67   2HB   ASP  34          2HB       ASP  34 -10.652  -2.399  -1.805
   68    H    GLY  35           H        GLY  35 -10.992   1.203  -0.889
   69   1HA   GLY  35          1HA       GLY  35  -9.377   2.692   0.963
   70   2HA   GLY  35          2HA       GLY  35 -11.012   3.087   0.453
   71    H    ASP  36           H        ASP  36 -10.193  -0.025   1.762
   72    HA   ASP  36           HA       ASP  36 -11.630   0.672   4.236
   73   1HB   ASP  36          1HB       ASP  36 -12.941  -0.632   2.461
   74   2HB   ASP  36          2HB       ASP  36 -11.870  -1.979   2.828
   75    H    GLY  37           H        GLY  37  -8.865  -0.570   2.801
   76   1HA   GLY  37          1HA       GLY  37  -6.907  -0.949   4.120
   77   2HA   GLY  37          2HA       GLY  37  -7.938  -1.521   5.424
   78    H    ASN  38           H        ASN  38  -8.901  -2.679   2.412
   79    HA   ASN  38           HA       ASN  38  -7.680  -5.305   2.986
   80   1HB   ASN  38          1HB       ASN  38 -10.232  -4.509   1.586
   81   2HB   ASN  38          2HB       ASN  38  -9.534  -6.111   1.403
   82   1HD2  ASN  38          1HD2      ASN  38  -9.369  -4.318   4.408
   83   2HD2  ASN  38          2HD2      ASN  38 -10.458  -5.336   5.285
   84    H    ILE  39           H        ILE  39  -6.765  -6.497   1.296
   85    HA   ILE  39           HA       ILE  39  -5.617  -4.836  -0.780
   86    HB   ILE  39           HB       ILE  39  -5.400  -7.656  -0.229
   87   1HG1  ILE  39          1HG1      ILE  39  -4.632  -6.420   1.673
   88   2HG1  ILE  39          2HG1      ILE  39  -3.240  -7.004   0.777
   89   1HG2  ILE  39          1HG2      ILE  39  -3.736  -5.778  -1.914
   90   2HG2  ILE  39          2HG2      ILE  39  -4.814  -7.030  -2.528
   91   3HG2  ILE  39          3HG2      ILE  39  -3.382  -7.479  -1.601
   92   1HD1  ILE  39          1HD1      ILE  39  -2.871  -4.743   1.552
   93   2HD1  ILE  39          2HD1      ILE  39  -4.330  -4.199   0.725
   94   3HD1  ILE  39          3HD1      ILE  39  -2.952  -4.781  -0.209
   95    H    LEU  40           H        LEU  40  -6.254  -4.809  -2.851
   96    HA   LEU  40           HA       LEU  40  -8.582  -6.448  -3.518
   97   1HB   LEU  40          1HB       LEU  40  -8.681  -3.959  -3.740
   98   2HB   LEU  40          2HB       LEU  40  -7.454  -4.066  -4.987
   99    HG   LEU  40           HG       LEU  40  -8.978  -5.345  -6.409
  100   1HD1  LEU  40          1HD1      LEU  40 -10.970  -4.973  -4.177
  101   2HD1  LEU  40          2HD1      LEU  40 -10.224  -6.498  -4.657
  102   3HD1  LEU  40          3HD1      LEU  40 -11.311  -5.661  -5.766
  103   1HD2  LEU  40          1HD2      LEU  40  -8.987  -2.914  -6.575
  104   2HD2  LEU  40          2HD2      LEU  40 -10.213  -2.822  -5.310
  105   3HD2  LEU  40          3HD2      LEU  40 -10.600  -3.568  -6.861
  106    H    GLN  41           H        GLN  41  -5.466  -5.422  -4.888
  107    HA   GLN  41           HA       GLN  41  -5.018  -8.035  -5.979
  108   1HB   GLN  41          1HB       GLN  41  -6.557  -7.141  -7.672
  109   2HB   GLN  41          2HB       GLN  41  -5.501  -5.760  -7.908
  110   1HG   GLN  41          1HG       GLN  41  -5.205  -7.328  -9.700
  111   2HG   GLN  41          2HG       GLN  41  -3.740  -7.268  -8.722
  112   1HE2  GLN  41          1HE2      GLN  41  -3.061  -9.089  -7.669
  113   2HE2  GLN  41          2HE2      GLN  41  -3.823 -10.633  -7.846
  114    H    TYR  42           H        TYR  42  -2.945  -8.348  -5.644
  115    HA   TYR  42           HA       TYR  42  -1.047  -6.151  -5.835
  116   1HB   TYR  42          1HB       TYR  42  -0.768  -7.779  -4.008
  117   2HB   TYR  42          2HB       TYR  42  -0.641  -9.086  -5.179
  118    HD1  TYR  42           HD1      TYR  42   1.409  -9.492  -6.361
  119    HD2  TYR  42           HD2      TYR  42   1.061  -6.141  -3.765
  120    HE1  TYR  42           HE1      TYR  42   3.845  -9.171  -6.462
  121    HE2  TYR  42           HE2      TYR  42   3.495  -5.809  -3.856
  122    HH   TYR  42           HH       TYR  42   5.515  -7.118  -4.333
  123    H    ASN  43           H        ASN  43   0.014  -5.711  -7.680
  124    HA   ASN  43           HA       ASN  43  -0.515  -7.390  -9.972
  125   1HB   ASN  43          1HB       ASN  43   1.044  -4.806  -9.747
  126   2HB   ASN  43          2HB       ASN  43   0.703  -5.644 -11.257
  127   1HD2  ASN  43          1HD2      ASN  43  -0.531  -3.648  -8.747
  128   2HD2  ASN  43          2HD2      ASN  43  -2.066  -3.309  -9.474
  129    H    ALA  44           H        ALA  44   0.658  -9.124 -10.280
  130    HA   ALA  44           HA       ALA  44   3.541  -9.006  -9.728
  131   1HB   ALA  44          1HB       ALA  44   1.755 -11.403 -10.176
  132   2HB   ALA  44          2HB       ALA  44   2.376 -10.842  -8.623
  133   3HB   ALA  44          3HB       ALA  44   3.485 -11.464  -9.845
  134    H    ALA  45           H        ALA  45   5.016  -9.413 -11.358
  135    HA   ALA  45           HA       ALA  45   4.321  -8.618 -13.944
  136   1HB   ALA  45          1HB       ALA  45   6.587  -8.422 -13.045
  137   2HB   ALA  45          2HB       ALA  45   6.575  -9.268 -14.592
  138   3HB   ALA  45          3HB       ALA  45   6.758 -10.177 -13.090
  139    H    GLU  46           H        GLU  46   3.544  -9.645 -15.652
  140    HA   GLU  46           HA       GLU  46   2.569 -12.300 -15.396
  141   1HB   GLU  46          1HB       GLU  46   2.775 -10.538 -17.843
  142   2HB   GLU  46          2HB       GLU  46   1.851 -12.029 -17.741
  143   1HG   GLU  46          1HG       GLU  46   0.479 -11.008 -15.952
  144   2HG   GLU  46          2HG       GLU  46   1.354  -9.496 -16.195
  145    H    GLY  47           H        GLY  47   4.084 -13.841 -15.201
  146   1HA   GLY  47          1HA       GLY  47   5.394 -14.844 -17.448
  147   2HA   GLY  47          2HA       GLY  47   6.558 -13.882 -16.546
  148    H    ASP  48           H        ASP  48   7.127 -14.520 -14.425
  149    HA   ASP  48           HA       ASP  48   6.260 -17.172 -13.577
  150   1HB   ASP  48          1HB       ASP  48   9.101 -16.504 -14.335
  151   2HB   ASP  48          2HB       ASP  48   8.704 -17.838 -13.259
  152    H    ILE  49           H        ILE  49   5.685 -16.838 -11.538
  153    HA   ILE  49           HA       ILE  49   7.012 -15.031  -9.758
  154    HB   ILE  49           HB       ILE  49   5.444 -17.387  -9.214
  155   1HG1  ILE  49          1HG1      ILE  49   4.660 -14.490  -9.546
  156   2HG1  ILE  49          2HG1      ILE  49   4.276 -15.792 -10.669
  157   1HG2  ILE  49          1HG2      ILE  49   6.198 -14.976  -7.556
  158   2HG2  ILE  49          2HG2      ILE  49   6.750 -16.633  -7.301
  159   3HG2  ILE  49          3HG2      ILE  49   5.049 -16.226  -7.076
  160   1HD1  ILE  49          1HD1      ILE  49   2.937 -16.880  -8.951
  161   2HD1  ILE  49          2HD1      ILE  49   2.377 -15.237  -9.256
  162   3HD1  ILE  49          3HD1      ILE  49   3.334 -15.591  -7.817
  163    H    THR  50           H        THR  50   7.166 -18.431 -10.525
  164    HA   THR  50           HA       THR  50   8.515 -20.132  -9.962
  165    HB   THR  50           HB       THR  50   9.628 -19.075 -11.569
  166    HG1  THR  50           HG1      THR  50  10.466 -20.916 -10.203
  167   1HG2  THR  50          1HG2      THR  50  11.152 -17.598  -9.436
  168   2HG2  THR  50          2HG2      THR  50  10.054 -16.877 -10.614
  169   3HG2  THR  50          3HG2      THR  50  11.547 -17.644 -11.155
  170    H    GLY  51           H        GLY  51   7.628 -20.037  -7.780
  171   1HA   GLY  51          1HA       GLY  51   9.234 -20.927  -5.880
  172   2HA   GLY  51          2HA       GLY  51   9.526 -19.202  -5.731
  173    H    ARG  52           H        ARG  52   8.441 -20.879  -3.704
  174    HA   ARG  52           HA       ARG  52   5.629 -20.163  -3.570
  175   1HB   ARG  52          1HB       ARG  52   5.778 -21.266  -1.286
  176   2HB   ARG  52          2HB       ARG  52   6.067 -22.300  -2.676
  177   1HG   ARG  52          1HG       ARG  52   8.451 -22.201  -2.296
  178   2HG   ARG  52          2HG       ARG  52   8.215 -21.084  -0.952
  179   1HD   ARG  52          1HD       ARG  52   8.592 -23.404  -0.208
  180   2HD   ARG  52          2HD       ARG  52   7.028 -22.769   0.298
  181    HE   ARG  52           HE       ARG  52   6.021 -24.091  -1.504
  182   1HH1  ARG  52          1HH1      ARG  52   9.308 -24.883  -0.585
  183   2HH1  ARG  52          2HH1      ARG  52   9.180 -26.547  -1.072
  184   1HH2  ARG  52          1HH2      ARG  52   5.850 -26.282  -2.154
  185   2HH2  ARG  52          2HH2      ARG  52   7.211 -27.347  -1.946
  186    H    ASP  53           H        ASP  53   5.648 -17.958  -3.528
  187    HA   ASP  53           HA       ASP  53   7.349 -16.466  -1.768
  188   1HB   ASP  53          1HB       ASP  53   6.365 -15.774  -4.071
  189   2HB   ASP  53          2HB       ASP  53   4.914 -15.372  -3.161
  190    HA   PRO  54           HA       PRO  54   4.573 -16.738   1.731
  191   1HB   PRO  54          1HB       PRO  54   5.943 -15.126   3.398
  192   2HB   PRO  54          2HB       PRO  54   6.513 -16.746   2.979
  193   1HG   PRO  54          1HG       PRO  54   7.358 -14.097   1.864
  194   2HG   PRO  54          2HG       PRO  54   8.364 -15.471   2.361
  195   1HD   PRO  54          1HD       PRO  54   7.716 -14.972  -0.229
  196   2HD   PRO  54          2HD       PRO  54   7.996 -16.609   0.398
  197    H    LYS  55           H        LYS  55   3.843 -14.908  -0.383
  198    HA   LYS  55           HA       LYS  55   3.289 -12.354   0.838
  199   1HB   LYS  55          1HB       LYS  55   2.720 -13.577  -1.837
  200   2HB   LYS  55          2HB       LYS  55   1.858 -12.128  -1.338
  201   1HG   LYS  55          1HG       LYS  55   3.906 -10.905  -1.144
  202   2HG   LYS  55          2HG       LYS  55   4.857 -12.365  -1.428
  203   1HD   LYS  55          1HD       LYS  55   4.039 -12.533  -3.675
  204   2HD   LYS  55          2HD       LYS  55   2.904 -11.209  -3.408
  205   1HE   LYS  55          1HE       LYS  55   4.873 -10.483  -4.674
  206   2HE   LYS  55          2HE       LYS  55   4.744  -9.654  -3.125
  207   1HZ   LYS  55          1HZ       LYS  55   6.495 -12.008  -3.614
  208   2HZ   LYS  55          2HZ       LYS  55   6.450 -11.042  -2.222
  209   3HZ   LYS  55          3HZ       LYS  55   7.017 -10.397  -3.681
  210    H    GLN  56           H        GLN  56   1.930 -12.634   2.558
  211    HA   GLN  56           HA       GLN  56  -0.740 -13.684   1.932
  212   1HB   GLN  56          1HB       GLN  56   0.662 -13.128   4.539
  213   2HB   GLN  56          2HB       GLN  56  -1.080 -13.369   4.458
  214   1HG   GLN  56          1HG       GLN  56  -0.728 -15.574   3.466
  215   2HG   GLN  56          2HG       GLN  56   1.015 -15.332   3.558
  216   1HE2  GLN  56          1HE2      GLN  56  -0.770 -17.343   4.768
  217   2HE2  GLN  56          2HE2      GLN  56  -0.440 -17.282   6.470
  218    H    VAL  57           H        VAL  57   0.839 -10.939   1.591
  219    HA   VAL  57           HA       VAL  57  -1.175  -9.120   2.602
  220    HB   VAL  57           HB       VAL  57   1.095  -8.697   2.626
  221   1HG1  VAL  57          1HG1      VAL  57   1.859  -9.598   0.546
  222   2HG1  VAL  57          2HG1      VAL  57   2.151  -7.860   0.548
  223   3HG1  VAL  57          3HG1      VAL  57   0.794  -8.523  -0.362
  224   1HG2  VAL  57          1HG2      VAL  57  -0.668  -6.784   1.135
  225   2HG2  VAL  57          2HG2      VAL  57   0.864  -6.369   1.906
  226   3HG2  VAL  57          3HG2      VAL  57  -0.492  -6.935   2.884
  227    H    ILE  58           H        ILE  58  -2.098 -11.052   0.847
  228    HA   ILE  58           HA       ILE  58  -3.388  -9.428  -1.143
  229    HB   ILE  58           HB       ILE  58  -1.490 -10.034  -2.200
  230   1HG1  ILE  58          1HG1      ILE  58  -2.485 -11.244  -4.114
  231   2HG1  ILE  58          2HG1      ILE  58  -3.908 -11.575  -3.135
  232   1HG2  ILE  58          1HG2      ILE  58  -0.852 -11.992  -0.936
  233   2HG2  ILE  58          2HG2      ILE  58  -0.958 -12.391  -2.651
  234   3HG2  ILE  58          3HG2      ILE  58  -2.247 -12.876  -1.550
  235   1HD1  ILE  58          1HD1      ILE  58  -4.344  -9.180  -2.964
  236   2HD1  ILE  58          2HD1      ILE  58  -4.285  -9.718  -4.643
  237   3HD1  ILE  58          3HD1      ILE  58  -2.916  -8.854  -3.946
  238    H    GLY  59           H        GLY  59  -5.277 -10.416  -1.955
  239   1HA   GLY  59          1HA       GLY  59  -7.089 -11.846  -1.899
  240   2HA   GLY  59          2HA       GLY  59  -6.089 -13.017  -1.048
  241    H    LYS  60           H        LYS  60  -6.112  -9.867   0.259
  242    HA   LYS  60           HA       LYS  60  -7.617 -10.831   2.549
  243   1HB   LYS  60          1HB       LYS  60  -5.571  -9.732   3.109
  244   2HB   LYS  60          2HB       LYS  60  -5.945  -8.365   2.068
  245   1HG   LYS  60          1HG       LYS  60  -6.180  -7.856   4.470
  246   2HG   LYS  60          2HG       LYS  60  -7.677  -7.630   3.570
  247   1HD   LYS  60          1HD       LYS  60  -8.268  -8.702   5.599
  248   2HD   LYS  60          2HD       LYS  60  -8.352  -9.936   4.342
  249   1HE   LYS  60          1HE       LYS  60  -7.281 -10.918   6.227
  250   2HE   LYS  60          2HE       LYS  60  -6.044 -10.649   5.000
  251   1HZ   LYS  60          1HZ       LYS  60  -6.548  -8.914   7.362
  252   2HZ   LYS  60          2HZ       LYS  60  -5.355  -8.659   6.189
  253   3HZ   LYS  60          3HZ       LYS  60  -5.270 -10.014   7.198
  254    H    ASN  61           H        ASN  61  -9.702 -10.863   1.828
  255    HA   ASN  61           HA       ASN  61 -10.903  -8.192   1.741
  256   1HB   ASN  61          1HB       ASN  61 -10.953  -9.163  -0.560
  257   2HB   ASN  61          2HB       ASN  61 -11.879 -10.522   0.073
  258   1HD2  ASN  61          1HD2      ASN  61 -11.915  -7.080  -0.547
  259   2HD2  ASN  61          2HD2      ASN  61 -13.633  -6.895  -0.509
  260    H    PHE  62           H        PHE  62 -11.620  -8.145   3.736
  261    HA   PHE  62           HA       PHE  62 -13.618  -9.933   4.709
  262   1HB   PHE  62          1HB       PHE  62 -11.499 -11.290   4.925
  263   2HB   PHE  62          2HB       PHE  62 -10.881 -10.051   6.007
  264    HD1  PHE  62           HD1      PHE  62 -14.038 -12.011   5.671
  265    HD2  PHE  62           HD2      PHE  62 -10.918 -10.632   8.214
  266    HE1  PHE  62           HE1      PHE  62 -15.099 -13.145   7.577
  267    HE2  PHE  62           HE2      PHE  62 -11.971 -11.773  10.124
  268    HZ   PHE  62           HZ       PHE  62 -13.997 -13.088   9.805
  269    H    PHE  63           H        PHE  63 -14.708  -8.903   6.368
  270    HA   PHE  63           HA       PHE  63 -13.969  -6.141   6.757
  271   1HB   PHE  63          1HB       PHE  63 -16.367  -7.704   7.732
  272   2HB   PHE  63          2HB       PHE  63 -16.157  -5.962   7.904
  273    HD1  PHE  63           HD1      PHE  63 -16.123  -4.521   5.897
  274    HD2  PHE  63           HD2      PHE  63 -17.071  -8.662   5.683
  275    HE1  PHE  63           HE1      PHE  63 -17.131  -4.172   3.679
  276    HE2  PHE  63           HE2      PHE  63 -18.081  -8.323   3.465
  277    HZ   PHE  63           HZ       PHE  63 -18.078  -6.081   2.444
  278    H    LYS  64           H        LYS  64 -12.193  -7.968   7.930
  279    HA   LYS  64           HA       LYS  64 -11.936  -6.817  10.499
  280   1HB   LYS  64          1HB       LYS  64 -13.645  -8.895  10.631
  281   2HB   LYS  64          2HB       LYS  64 -12.129  -9.777  10.743
  282   1HG   LYS  64          1HG       LYS  64 -12.942  -9.322  12.952
  283   2HG   LYS  64          2HG       LYS  64 -11.490  -8.359  12.666
  284   1HD   LYS  64          1HD       LYS  64 -12.879  -6.410  12.168
  285   2HD   LYS  64          2HD       LYS  64 -14.333  -7.373  12.428
  286   1HE   LYS  64          1HE       LYS  64 -13.718  -7.709  14.749
  287   2HE   LYS  64          2HE       LYS  64 -12.214  -6.822  14.501
  288   1HZ   LYS  64          1HZ       LYS  64 -13.972  -5.472  15.532
  289   2HZ   LYS  64          2HZ       LYS  64 -14.930  -5.664  14.151
  290   3HZ   LYS  64          3HZ       LYS  64 -13.457  -4.833  14.049
  291    H    ASP  65           H        ASP  65  -9.995  -7.833  11.632
  292    HA   ASP  65           HA       ASP  65  -7.789  -8.299  11.623
  293   1HB   ASP  65          1HB       ASP  65  -8.567 -10.544  10.910
  294   2HB   ASP  65          2HB       ASP  65  -8.388 -10.046   9.231
  295    H    VAL  66           H        VAL  66  -7.711  -6.026  10.999
  296    HA   VAL  66           HA       VAL  66  -6.370  -5.697   8.395
  297    HB   VAL  66           HB       VAL  66  -6.754  -3.397   8.712
  298   1HG1  VAL  66          1HG1      VAL  66  -7.979  -4.771   7.137
  299   2HG1  VAL  66          2HG1      VAL  66  -9.072  -3.611   7.897
  300   3HG1  VAL  66          3HG1      VAL  66  -9.076  -5.297   8.415
  301   1HG2  VAL  66          1HG2      VAL  66  -7.293  -3.463  11.133
  302   2HG2  VAL  66          2HG2      VAL  66  -8.792  -4.304  10.732
  303   3HG2  VAL  66          3HG2      VAL  66  -8.515  -2.665  10.146
  304    H    ALA  67           H        ALA  67  -6.334  -4.884  11.819
  305    HA   ALA  67           HA       ALA  67  -3.457  -4.291  11.584
  306   1HB   ALA  67          1HB       ALA  67  -3.656  -3.094  13.704
  307   2HB   ALA  67          2HB       ALA  67  -5.374  -3.491  13.778
  308   3HB   ALA  67          3HB       ALA  67  -4.767  -2.433  12.503
  309    HA   PRO  68           HA       PRO  68  -3.038  -8.417  13.235
  310   1HB   PRO  68          1HB       PRO  68  -0.308  -7.392  13.834
  311   2HB   PRO  68          2HB       PRO  68  -0.799  -8.866  12.992
  312   1HG   PRO  68          1HG       PRO  68   0.141  -6.790  11.626
  313   2HG   PRO  68          2HG       PRO  68  -1.211  -7.749  10.997
  314   1HD   PRO  68          1HD       PRO  68  -1.237  -5.054  12.292
  315   2HD   PRO  68          2HD       PRO  68  -2.214  -5.668  10.942
  316    H    CYS  69           H        CYS  69  -1.435  -5.766  15.002
  317    HA   CYS  69           HA       CYS  69  -2.881  -6.465  17.409
  318   1HB   CYS  69          1HB       CYS  69   0.086  -6.800  17.127
  319   2HB   CYS  69          2HB       CYS  69  -0.600  -6.338  18.681
  320    H    THR  70           H        THR  70  -1.182  -4.907  19.131
  321    HA   THR  70           HA       THR  70  -2.395  -2.399  18.712
  322    HB   THR  70           HB       THR  70  -0.055  -2.911  20.281
  323    HG1  THR  70           HG1      THR  70  -1.406  -4.536  20.880
  324   1HG2  THR  70          1HG2      THR  70  -2.443  -1.101  20.582
  325   2HG2  THR  70          2HG2      THR  70  -0.817  -0.601  20.117
  326   3HG2  THR  70          3HG2      THR  70  -1.110  -1.264  21.725
  327    H    ASP  71           H        ASP  71  -1.847  -0.877  17.337
  328    HA   ASP  71           HA       ASP  71  -0.681   0.740  16.275
  329   1HB   ASP  71          1HB       ASP  71   0.437   1.237  18.323
  330   2HB   ASP  71          2HB       ASP  71   1.514  -0.143  18.141
  331    H    SER  72           H        SER  72  -0.523   0.266  14.197
  332    HA   SER  72           HA       SER  72   1.931  -1.061  13.326
  333   1HB   SER  72          1HB       SER  72   0.071  -2.757  13.343
  334   2HB   SER  72          2HB       SER  72  -0.776  -1.761  12.163
  335    HG   SER  72           HG       SER  72   1.873  -2.441  11.583
  336    HA   PRO  73           HA       PRO  73   1.459   2.734  10.860
  337   1HB   PRO  73          1HB       PRO  73   4.344   2.491  10.517
  338   2HB   PRO  73          2HB       PRO  73   3.427   3.769  11.316
  339   1HG   PRO  73          1HG       PRO  73   5.013   2.037  12.665
  340   2HG   PRO  73          2HG       PRO  73   3.553   2.755  13.371
  341   1HD   PRO  73          1HD       PRO  73   3.940   0.030  12.183
  342   2HD   PRO  73          2HD       PRO  73   3.060   0.502  13.654
  343    H    GLU  74           H        GLU  74   0.673   0.447   9.651
  344    HA   GLU  74           HA       GLU  74   2.421  -0.140   7.408
  345   1HB   GLU  74          1HB       GLU  74   0.987  -1.859   8.605
  346   2HB   GLU  74          2HB       GLU  74  -0.412  -1.097   7.862
  347   1HG   GLU  74          1HG       GLU  74   0.252  -3.066   6.631
  348   2HG   GLU  74          2HG       GLU  74   0.480  -1.620   5.649
  349    H    PHE  75           H        PHE  75   0.255   2.221   8.193
  350    HA   PHE  75           HA       PHE  75  -0.936   2.607   5.593
  351   1HB   PHE  75          1HB       PHE  75  -0.867   4.549   7.912
  352   2HB   PHE  75          2HB       PHE  75  -1.992   4.540   6.559
  353    HD1  PHE  75           HD1      PHE  75  -3.513   2.466   6.329
  354    HD2  PHE  75           HD2      PHE  75  -1.418   3.484   9.890
  355    HE1  PHE  75           HE1      PHE  75  -5.073   1.085   7.636
  356    HE2  PHE  75           HE2      PHE  75  -2.972   2.101  11.203
  357    HZ   PHE  75           HZ       PHE  75  -4.803   0.900  10.077
  358    H    TYR  76           H        TYR  76   0.477   3.112   4.039
  359    HA   TYR  76           HA       TYR  76   2.962   4.325   4.450
  360   1HB   TYR  76          1HB       TYR  76   1.412   4.157   1.862
  361   2HB   TYR  76          2HB       TYR  76   3.151   4.382   2.028
  362    HD1  TYR  76           HD1      TYR  76   4.495   2.505   3.124
  363    HD2  TYR  76           HD2      TYR  76   0.491   2.004   1.776
  364    HE1  TYR  76           HE1      TYR  76   4.809   0.065   3.115
  365    HE2  TYR  76           HE2      TYR  76   0.791  -0.436   1.769
  366    HH   TYR  76           HH       TYR  76   3.261  -1.981   3.324
  367    H    GLY  77           H        GLY  77   0.311   5.756   2.503
  368   1HA   GLY  77          1HA       GLY  77   1.485   8.385   2.982
  369   2HA   GLY  77          2HA       GLY  77   0.208   8.005   1.835
  370    H    LYS  78           H        LYS  78   0.371   7.218   5.266
  371    HA   LYS  78           HA       LYS  78  -1.128   7.492   6.950
  372   1HB   LYS  78          1HB       LYS  78  -0.117   9.815   6.650
  373   2HB   LYS  78          2HB       LYS  78  -1.592  10.241   5.796
  374   1HG   LYS  78          1HG       LYS  78  -2.878  10.171   7.698
  375   2HG   LYS  78          2HG       LYS  78  -1.782   9.064   8.528
  376   1HD   LYS  78          1HD       LYS  78  -1.183  11.954   7.890
  377   2HD   LYS  78          2HD       LYS  78  -1.704  11.348   9.464
  378   1HE   LYS  78          1HE       LYS  78   0.290   9.946   9.592
  379   2HE   LYS  78          2HE       LYS  78   0.807  10.518   8.008
  380   1HZ   LYS  78          1HZ       LYS  78   0.416  12.293  10.361
  381   2HZ   LYS  78          2HZ       LYS  78   1.106  12.707   8.868
  382   3HZ   LYS  78          3HZ       LYS  78   1.914  11.639   9.902
  383    H    PHE  79           H        PHE  79  -2.429   5.904   5.877
  384    HA   PHE  79           HA       PHE  79  -4.075   6.284   3.715
  385   1HB   PHE  79          1HB       PHE  79  -3.393   4.098   4.642
  386   2HB   PHE  79          2HB       PHE  79  -4.518   4.331   5.974
  387    HD1  PHE  79           HD1      PHE  79  -6.763   3.745   5.763
  388    HD2  PHE  79           HD2      PHE  79  -4.316   3.975   2.289
  389    HE1  PHE  79           HE1      PHE  79  -8.557   2.712   4.438
  390    HE2  PHE  79           HE2      PHE  79  -6.105   2.935   0.955
  391    HZ   PHE  79           HZ       PHE  79  -8.223   2.329   2.002
  392    H    LYS  80           H        LYS  80  -4.820   6.949   7.096
  393    HA   LYS  80           HA       LYS  80  -7.658   6.932   6.699
  394   1HB   LYS  80          1HB       LYS  80  -6.568   6.438   8.892
  395   2HB   LYS  80          2HB       LYS  80  -6.123   8.136   9.008
  396   1HG   LYS  80          1HG       LYS  80  -8.441   8.788   9.070
  397   2HG   LYS  80          2HG       LYS  80  -8.951   7.123   8.794
  398   1HD   LYS  80          1HD       LYS  80  -7.392   8.074  11.195
  399   2HD   LYS  80          2HD       LYS  80  -9.139   7.829  11.159
  400   1HE   LYS  80          1HE       LYS  80  -8.768   5.457  10.596
  401   2HE   LYS  80          2HE       LYS  80  -7.028   5.719  10.712
  402   1HZ   LYS  80          1HZ       LYS  80  -9.008   6.015  12.909
  403   2HZ   LYS  80          2HZ       LYS  80  -7.357   6.374  13.045
  404   3HZ   LYS  80          3HZ       LYS  80  -7.855   4.778  12.752
  405    H    GLU  81           H        GLU  81  -5.144   9.255   6.362
  406    HA   GLU  81           HA       GLU  81  -6.923  11.535   6.400
  407   1HB   GLU  81          1HB       GLU  81  -4.536  11.664   7.153
  408   2HB   GLU  81          2HB       GLU  81  -4.040  11.356   5.496
  409   1HG   GLU  81          1HG       GLU  81  -3.920  13.725   6.075
  410   2HG   GLU  81          2HG       GLU  81  -5.064  13.419   4.769
  411    H    GLY  82           H        GLY  82  -5.436   9.377   4.126
  412   1HA   GLY  82          1HA       GLY  82  -5.919  10.763   1.775
  413   2HA   GLY  82          2HA       GLY  82  -5.714   9.035   1.919
  414    H    VAL  83           H        VAL  83  -7.800   8.450   3.593
  415    HA   VAL  83           HA       VAL  83  -9.976   8.228   1.783
  416    HB   VAL  83           HB       VAL  83  -9.847   7.952   4.638
  417   1HG1  VAL  83          1HG1      VAL  83 -12.136   8.125   3.789
  418   2HG1  VAL  83          2HG1      VAL  83 -11.776   6.471   4.283
  419   3HG1  VAL  83          3HG1      VAL  83 -11.786   6.898   2.573
  420   1HG2  VAL  83          1HG2      VAL  83  -9.495   5.588   4.121
  421   2HG2  VAL  83          2HG2      VAL  83  -8.175   6.599   3.533
  422   3HG2  VAL  83          3HG2      VAL  83  -9.387   5.986   2.407
  423    H    ALA  84           H        ALA  84  -9.371  10.221   4.643
  424    HA   ALA  84           HA       ALA  84 -12.039  11.231   4.715
  425   1HB   ALA  84          1HB       ALA  84  -9.588  12.160   6.204
  426   2HB   ALA  84          2HB       ALA  84 -10.736  10.945   6.766
  427   3HB   ALA  84          3HB       ALA  84 -11.253  12.619   6.564
  428    H    SER  85           H        SER  85  -8.964  12.318   3.484
  429    HA   SER  85           HA       SER  85  -9.848  14.942   2.801
  430   1HB   SER  85          1HB       SER  85  -7.930  14.968   1.214
  431   2HB   SER  85          2HB       SER  85  -7.465  14.457   2.837
  432    HG   SER  85           HG       SER  85  -7.153  12.447   2.149
  433    H    GLY  86           H        GLY  86 -10.018  11.806   1.249
  434   1HA   GLY  86          1HA       GLY  86 -11.982  11.242   0.011
  435   2HA   GLY  86          2HA       GLY  86 -12.111  12.923  -0.483
  436    H    ASN  87           H        ASN  87  -8.966  11.649  -0.609
  437    HA   ASN  87           HA       ASN  87  -8.933  10.522  -3.149
  438   1HB   ASN  87          1HB       ASN  87  -8.006  12.388  -4.517
  439   2HB   ASN  87          2HB       ASN  87  -9.689  12.615  -4.071
  440   1HD2  ASN  87          1HD2      ASN  87 -10.232  14.250  -2.581
  441   2HD2  ASN  87          2HD2      ASN  87  -9.129  15.537  -2.229
  442    H    LEU  88           H        LEU  88  -7.674   9.477  -1.398
  443    HA   LEU  88           HA       LEU  88  -5.141  10.289  -0.624
  444   1HB   LEU  88          1HB       LEU  88  -6.609   8.095  -0.190
  445   2HB   LEU  88          2HB       LEU  88  -5.477   7.446  -1.364
  446    HG   LEU  88           HG       LEU  88  -4.697   8.892   1.107
  447   1HD1  LEU  88          1HD1      LEU  88  -5.883   6.853   1.701
  448   2HD1  LEU  88          2HD1      LEU  88  -4.165   6.683   2.060
  449   3HD1  LEU  88          3HD1      LEU  88  -4.847   5.922   0.622
  450   1HD2  LEU  88          1HD2      LEU  88  -2.983   8.941  -0.595
  451   2HD2  LEU  88          2HD2      LEU  88  -3.090   7.191  -0.786
  452   3HD2  LEU  88          3HD2      LEU  88  -2.486   7.881   0.721
  453    H    ASN  89           H        ASN  89  -4.185  11.379  -2.357
  454    HA   ASN  89           HA       ASN  89  -2.796   9.582  -4.184
  455   1HB   ASN  89          1HB       ASN  89  -4.637  10.330  -5.536
  456   2HB   ASN  89          2HB       ASN  89  -4.420  11.989  -5.019
  457   1HD2  ASN  89          1HD2      ASN  89  -2.780  13.234  -5.947
  458   2HD2  ASN  89          2HD2      ASN  89  -1.951  12.734  -7.384
  459    H    THR  90           H        THR  90  -0.792   9.873  -3.338
  460    HA   THR  90           HA       THR  90   0.373  12.494  -3.652
  461    HB   THR  90           HB       THR  90  -0.506  12.490  -1.541
  462    HG1  THR  90           HG1      THR  90   1.560  13.494  -2.164
  463   1HG2  THR  90          1HG2      THR  90   1.318  10.144  -1.047
  464   2HG2  THR  90          2HG2      THR  90  -0.445  10.126  -0.996
  465   3HG2  THR  90          3HG2      THR  90   0.463  11.064   0.191
  466    H    MET  91           H        MET  91   2.647  12.453  -3.631
  467    HA   MET  91           HA       MET  91   3.876   9.798  -3.557
  468   1HB   MET  91          1HB       MET  91   5.341  10.507  -5.487
  469   2HB   MET  91          2HB       MET  91   3.667  10.148  -5.893
  470   1HG   MET  91          1HG       MET  91   3.176  12.551  -5.910
  471   2HG   MET  91          2HG       MET  91   4.864  12.888  -5.532
  472   1HE   MET  91          1HE       MET  91   4.527  14.047  -9.257
  473   2HE   MET  91          2HE       MET  91   4.956  14.524  -7.614
  474   3HE   MET  91          3HE       MET  91   3.279  14.152  -8.014
  475    H    PHE  92           H        PHE  92   5.325   9.820  -2.052
  476    HA   PHE  92           HA       PHE  92   7.216  12.027  -1.917
  477   1HB   PHE  92          1HB       PHE  92   7.070  12.140   0.541
  478   2HB   PHE  92          2HB       PHE  92   5.551  12.597  -0.214
  479    HD1  PHE  92           HD1      PHE  92   3.640  10.980  -0.190
  480    HD2  PHE  92           HD2      PHE  92   7.204  10.329   2.046
  481    HE1  PHE  92           HE1      PHE  92   2.461   9.330   1.207
  482    HE2  PHE  92           HE2      PHE  92   6.030   8.681   3.443
  483    HZ   PHE  92           HZ       PHE  92   3.642   8.202   3.037
  484    H    GLU  93           H        GLU  93   9.258  11.347  -1.507
  485    HA   GLU  93           HA       GLU  93   9.548   8.471  -1.074
  486   1HB   GLU  93          1HB       GLU  93  11.919   8.814  -1.796
  487   2HB   GLU  93          2HB       GLU  93  10.712   9.132  -3.030
  488   1HG   GLU  93          1HG       GLU  93  11.028  11.451  -2.892
  489   2HG   GLU  93          2HG       GLU  93  11.927  11.317  -1.377
  490    H    TYR  94           H        TYR  94   9.994   7.774   0.842
  491    HA   TYR  94           HA       TYR  94  11.308   9.591   2.745
  492   1HB   TYR  94          1HB       TYR  94   9.036   8.810   3.393
  493   2HB   TYR  94          2HB       TYR  94   9.605   7.146   3.313
  494    HD1  TYR  94           HD1      TYR  94  10.678   6.150   5.161
  495    HD2  TYR  94           HD2      TYR  94  10.086  10.363   5.099
  496    HE1  TYR  94           HE1      TYR  94  11.392   6.279   7.510
  497    HE2  TYR  94           HE2      TYR  94  10.799  10.503   7.447
  498    HH   TYR  94           HH       TYR  94  12.373   7.994   9.049
  499    H    THR  95           H        THR  95  13.431   9.191   2.576
  500    HA   THR  95           HA       THR  95  14.332   6.515   1.988
  501    HB   THR  95           HB       THR  95  15.281   8.279   0.965
  502    HG1  THR  95           HG1      THR  95  17.387   7.509   2.548
  503   1HG2  THR  95          1HG2      THR  95  16.752   9.810   2.167
  504   2HG2  THR  95          2HG2      THR  95  16.205   9.133   3.700
  505   3HG2  THR  95          3HG2      THR  95  15.071   9.999   2.664
  506    H    PHE  96           H        PHE  96  15.441   5.175   3.301
  507    HA   PHE  96           HA       PHE  96  15.490   5.882   6.141
  508   1HB   PHE  96          1HB       PHE  96  15.929   3.212   4.773
  509   2HB   PHE  96          2HB       PHE  96  15.921   3.475   6.512
  510    HD1  PHE  96           HD1      PHE  96  13.815   4.103   7.653
  511    HD2  PHE  96           HD2      PHE  96  13.912   3.012   3.541
  512    HE1  PHE  96           HE1      PHE  96  11.383   3.735   7.697
  513    HE2  PHE  96           HE2      PHE  96  11.479   2.641   3.576
  514    HZ   PHE  96           HZ       PHE  96  10.214   2.988   5.659
  515    H    ASP  97           H        ASP  97  17.293   6.920   6.681
  516    HA   ASP  97           HA       ASP  97  19.688   6.899   5.242
  517   1HB   ASP  97          1HB       ASP  97  20.657   8.125   7.060
  518   2HB   ASP  97          2HB       ASP  97  18.984   8.646   6.913
  519    H    TYR  98           H        TYR  98  18.487   4.851   7.772
  520    HA   TYR  98           HA       TYR  98  18.990   2.715   8.303
  521   1HB   TYR  98          1HB       TYR  98  19.279   2.647   5.753
  522   2HB   TYR  98          2HB       TYR  98  21.007   2.690   6.070
  523    HD1  TYR  98           HD1      TYR  98  21.999   0.626   5.808
  524    HD2  TYR  98           HD2      TYR  98  18.100   0.823   7.510
  525    HE1  TYR  98           HE1      TYR  98  21.982  -1.824   6.053
  526    HE2  TYR  98           HE2      TYR  98  18.079  -1.621   7.759
  527    HH   TYR  98           HH       TYR  98  20.879  -3.538   7.368
  528    H    GLN  99           H        GLN  99  22.205   3.287   7.034
  529    HA   GLN  99           HA       GLN  99  23.423   3.858   9.557
  530   1HB   GLN  99          1HB       GLN  99  23.503   1.063   8.456
  531   2HB   GLN  99          2HB       GLN  99  24.869   1.694   9.360
  532   1HG   GLN  99          1HG       GLN  99  23.820   1.509  11.324
  533   2HG   GLN  99          2HG       GLN  99  22.282   2.071  10.671
  534   1HE2  GLN  99          1HE2      GLN  99  22.874  -0.165  12.472
  535   2HE2  GLN  99          2HE2      GLN  99  22.239  -1.572  11.696
  536    H    MET 100           H        MET 100  24.071   2.275   6.441
  537    HA   MET 100           HA       MET 100  26.439   3.983   6.110
  538   1HB   MET 100          1HB       MET 100  25.704   1.509   4.534
  539   2HB   MET 100          2HB       MET 100  27.227   2.380   4.477
  540   1HG   MET 100          1HG       MET 100  27.734   0.548   5.769
  541   2HG   MET 100          2HG       MET 100  27.411   1.790   6.973
  542   1HE   MET 100          1HE       MET 100  24.465  -1.583   5.859
  543   2HE   MET 100          2HE       MET 100  26.078  -1.412   5.166
  544   3HE   MET 100          3HE       MET 100  24.824  -0.233   4.783
  545    H    THR 101           H        THR 101  24.161   2.417   3.879
  546    HA   THR 101           HA       THR 101  24.120   4.904   2.329
  547    HB   THR 101           HB       THR 101  24.945   3.105   1.242
  548    HG1  THR 101           HG1      THR 101  22.443   4.182   0.490
  549   1HG2  THR 101          1HG2      THR 101  23.931   1.232   2.303
  550   2HG2  THR 101          2HG2      THR 101  23.414   1.240   0.620
  551   3HG2  THR 101          3HG2      THR 101  22.317   1.798   1.882
  552    HA   PRO 102           HA       PRO 102  19.847   5.410   3.388
  553   1HB   PRO 102          1HB       PRO 102  19.096   7.074   1.377
  554   2HB   PRO 102          2HB       PRO 102  20.072   7.606   2.751
  555   1HG   PRO 102          1HG       PRO 102  20.938   6.860  -0.015
  556   2HG   PRO 102          2HG       PRO 102  21.480   8.209   1.001
  557   1HD   PRO 102          1HD       PRO 102  22.908   5.924   0.715
  558   2HD   PRO 102          2HD       PRO 102  22.923   6.883   2.208
  559    H    THR 103           H        THR 103  18.461   3.787   3.102
  560    HA   THR 103           HA       THR 103  17.967   2.692   0.442
  561    HB   THR 103           HB       THR 103  16.661   2.139   2.941
  562    HG1  THR 103           HG1      THR 103  19.176   1.948   2.551
  563   1HG2  THR 103          1HG2      THR 103  17.027   0.620   0.364
  564   2HG2  THR 103          2HG2      THR 103  15.520   1.308   0.968
  565   3HG2  THR 103          3HG2      THR 103  16.291  -0.023   1.832
  566    H    LYS 104           H        LYS 104  16.777   4.103  -0.731
  567    HA   LYS 104           HA       LYS 104  14.746   5.693   0.620
  568   1HB   LYS 104          1HB       LYS 104  16.352   6.889  -0.759
  569   2HB   LYS 104          2HB       LYS 104  15.929   5.906  -2.152
  570   1HG   LYS 104          1HG       LYS 104  13.630   7.246  -0.978
  571   2HG   LYS 104          2HG       LYS 104  14.881   8.361  -1.521
  572   1HD   LYS 104          1HD       LYS 104  13.745   6.144  -3.221
  573   2HD   LYS 104          2HD       LYS 104  13.155   7.805  -3.249
  574   1HE   LYS 104          1HE       LYS 104  15.997   6.987  -3.836
  575   2HE   LYS 104          2HE       LYS 104  14.770   7.288  -5.065
  576   1HZ   LYS 104          1HZ       LYS 104  15.779   9.269  -3.095
  577   2HZ   LYS 104          2HZ       LYS 104  14.576   9.568  -4.247
  578   3HZ   LYS 104          3HZ       LYS 104  16.162   9.223  -4.741
  579    H    VAL 105           H        VAL 105  12.671   5.213   0.528
  580    HA   VAL 105           HA       VAL 105  11.702   3.720  -1.789
  581    HB   VAL 105           HB       VAL 105   9.813   3.284  -0.622
  582   1HG1  VAL 105          1HG1      VAL 105  11.663   1.706  -0.654
  583   2HG1  VAL 105          2HG1      VAL 105  10.841   1.666   0.906
  584   3HG1  VAL 105          3HG1      VAL 105  12.384   2.503   0.745
  585   1HG2  VAL 105          1HG2      VAL 105   9.729   3.640   1.790
  586   2HG2  VAL 105          2HG2      VAL 105   9.731   5.160   0.894
  587   3HG2  VAL 105          3HG2      VAL 105  11.202   4.604   1.693
  588    H    LYS 106           H        LYS 106   9.630   4.338  -2.617
  589    HA   LYS 106           HA       LYS 106   8.980   7.162  -2.155
  590   1HB   LYS 106          1HB       LYS 106  10.392   6.904  -4.201
  591   2HB   LYS 106          2HB       LYS 106   9.156   5.856  -4.879
  592   1HG   LYS 106          1HG       LYS 106   7.557   7.718  -4.808
  593   2HG   LYS 106          2HG       LYS 106   8.824   8.764  -4.165
  594   1HD   LYS 106          1HD       LYS 106   8.933   7.335  -6.820
  595   2HD   LYS 106          2HD       LYS 106   8.503   9.031  -6.599
  596   1HE   LYS 106          1HE       LYS 106  11.122   7.877  -5.663
  597   2HE   LYS 106          2HE       LYS 106  10.899   8.552  -7.277
  598   1HZ   LYS 106          1HZ       LYS 106  10.134  10.166  -4.944
  599   2HZ   LYS 106          2HZ       LYS 106  10.674  10.666  -6.469
  600   3HZ   LYS 106          3HZ       LYS 106  11.775  10.033  -5.343
  601    H    VAL 107           H        VAL 107   6.911   7.359  -1.612
  602    HA   VAL 107           HA       VAL 107   5.132   5.082  -2.115
  603    HB   VAL 107           HB       VAL 107   4.380   7.432  -0.701
  604   1HG1  VAL 107          1HG1      VAL 107   2.759   5.702  -1.174
  605   2HG1  VAL 107          2HG1      VAL 107   3.124   5.750   0.551
  606   3HG1  VAL 107          3HG1      VAL 107   3.814   4.481  -0.462
  607   1HG2  VAL 107          1HG2      VAL 107   6.186   5.254   0.361
  608   2HG2  VAL 107          2HG2      VAL 107   5.320   6.430   1.347
  609   3HG2  VAL 107          3HG2      VAL 107   6.568   6.972   0.227
  610    H    HIS 108           H        HIS 108   4.246   5.318  -4.127
  611    HA   HIS 108           HA       HIS 108   2.804   7.857  -4.523
  612   1HB   HIS 108          1HB       HIS 108   4.374   6.990  -6.365
  613   2HB   HIS 108          2HB       HIS 108   3.192   5.710  -6.611
  614    HD1  HIS 108           HD1      HIS 108   4.056   8.328  -8.471
  615    HD2  HIS 108           HD2      HIS 108   0.496   7.599  -6.454
  616    HE1  HIS 108           HE1      HIS 108   2.299   9.642  -9.703
  617    HE2  HIS 108           HE2      HIS 108   0.121   9.012  -8.602
  618    H    MET 109           H        MET 109   0.996   7.617  -3.419
  619    HA   MET 109           HA       MET 109  -0.602   5.193  -3.919
  620   1HB   MET 109          1HB       MET 109  -0.714   7.173  -1.631
  621   2HB   MET 109          2HB       MET 109  -1.897   5.899  -1.885
  622   1HG   MET 109          1HG       MET 109  -0.046   4.242  -1.690
  623   2HG   MET 109          2HG       MET 109   1.025   5.572  -1.255
  624   1HE   MET 109          1HE       MET 109  -2.756   4.978  -0.301
  625   2HE   MET 109          2HE       MET 109  -2.586   4.182   1.263
  626   3HE   MET 109          3HE       MET 109  -2.033   3.372  -0.203
  627    H    LYS 110           H        LYS 110  -2.660   5.459  -4.761
  628    HA   LYS 110           HA       LYS 110  -3.487   8.202  -5.275
  629   1HB   LYS 110          1HB       LYS 110  -3.734   7.838  -7.680
  630   2HB   LYS 110          2HB       LYS 110  -2.056   7.685  -7.185
  631   1HG   LYS 110          1HG       LYS 110  -2.185   5.286  -7.321
  632   2HG   LYS 110          2HG       LYS 110  -3.914   5.368  -7.666
  633   1HD   LYS 110          1HD       LYS 110  -1.700   6.467  -9.400
  634   2HD   LYS 110          2HD       LYS 110  -2.626   4.999  -9.712
  635   1HE   LYS 110          1HE       LYS 110  -3.733   7.800  -9.573
  636   2HE   LYS 110          2HE       LYS 110  -3.449   6.873 -11.045
  637   1HZ   LYS 110          1HZ       LYS 110  -5.340   6.127  -8.885
  638   2HZ   LYS 110          2HZ       LYS 110  -5.082   5.262 -10.320
  639   3HZ   LYS 110          3HZ       LYS 110  -5.769   6.818 -10.371
  640    H    LYS 111           H        LYS 111  -5.604   8.407  -5.115
  641    HA   LYS 111           HA       LYS 111  -7.356   6.424  -4.554
  642   1HB   LYS 111          1HB       LYS 111  -7.814   8.703  -4.196
  643   2HB   LYS 111          2HB       LYS 111  -7.668   9.078  -5.900
  644   1HG   LYS 111          1HG       LYS 111  -9.722   7.942  -6.397
  645   2HG   LYS 111          2HG       LYS 111  -9.838   7.342  -4.739
  646   1HD   LYS 111          1HD       LYS 111 -10.210   9.519  -3.882
  647   2HD   LYS 111          2HD       LYS 111  -9.754  10.272  -5.410
  648   1HE   LYS 111          1HE       LYS 111 -12.135   8.445  -5.124
  649   2HE   LYS 111          2HE       LYS 111 -12.235  10.190  -4.887
  650   1HZ   LYS 111          1HZ       LYS 111 -11.206   8.930  -7.372
  651   2HZ   LYS 111          2HZ       LYS 111 -11.588  10.564  -7.129
  652   3HZ   LYS 111          3HZ       LYS 111 -12.822   9.395  -7.163
  653    H    ALA 112           H        ALA 112  -7.949   4.746  -5.624
  654    HA   ALA 112           HA       ALA 112  -7.316   4.155  -8.272
  655   1HB   ALA 112          1HB       ALA 112  -9.416   2.886  -6.517
  656   2HB   ALA 112          2HB       ALA 112  -7.711   2.437  -6.593
  657   3HB   ALA 112          3HB       ALA 112  -8.752   2.195  -7.997
  658    H    LEU 113           H        LEU 113  -8.659   3.898 -10.113
  659    HA   LEU 113           HA       LEU 113 -10.362   6.090 -10.592
  660   1HB   LEU 113          1HB       LEU 113  -9.816   3.558 -12.114
  661   2HB   LEU 113          2HB       LEU 113 -10.973   4.739 -12.690
  662    HG   LEU 113           HG       LEU 113  -9.151   6.436 -12.749
  663   1HD1  LEU 113          1HD1      LEU 113  -6.830   5.698 -12.633
  664   2HD1  LEU 113          2HD1      LEU 113  -7.360   4.083 -12.165
  665   3HD1  LEU 113          3HD1      LEU 113  -7.655   5.451 -11.094
  666   1HD2  LEU 113          1HD2      LEU 113  -8.648   3.935 -14.351
  667   2HD2  LEU 113          2HD2      LEU 113  -8.083   5.557 -14.753
  668   3HD2  LEU 113          3HD2      LEU 113  -9.810   5.201 -14.746
  669    H    SER 114           H        SER 114 -10.983   3.069  -9.137
  670    HA   SER 114           HA       SER 114 -13.803   2.991  -9.623
  671   1HB   SER 114          1HB       SER 114 -12.474   0.980  -9.002
  672   2HB   SER 114          2HB       SER 114 -12.193   1.683  -7.411
  673    HG   SER 114           HG       SER 114 -14.063   0.936  -6.827
  674    H    GLY 115           H        GLY 115 -11.708   4.671  -7.442
  675   1HA   GLY 115          1HA       GLY 115 -12.284   6.502  -6.108
  676   2HA   GLY 115          2HA       GLY 115 -13.978   6.073  -6.284
  677    H    ASP 116           H        ASP 116 -13.911   3.448  -5.442
  678    HA   ASP 116           HA       ASP 116 -13.787   3.850  -2.580
  679   1HB   ASP 116          1HB       ASP 116 -14.874   1.509  -2.621
  680   2HB   ASP 116          2HB       ASP 116 -15.801   2.851  -3.282
  681    H    SER 117           H        SER 117 -11.310   3.709  -3.841
  682    HA   SER 117           HA       SER 117  -9.921   1.741  -2.358
  683   1HB   SER 117          1HB       SER 117  -9.022   0.610  -4.541
  684   2HB   SER 117          2HB       SER 117 -10.520   0.059  -3.800
  685    HG   SER 117           HG       SER 117 -11.679   0.979  -5.376
  686    H    TYR 118           H        TYR 118  -7.598   1.831  -2.732
  687    HA   TYR 118           HA       TYR 118  -6.653   4.101  -4.345
  688   1HB   TYR 118          1HB       TYR 118  -5.795   3.766  -1.463
  689   2HB   TYR 118          2HB       TYR 118  -5.415   5.097  -2.552
  690    HD1  TYR 118           HD1      TYR 118  -7.782   3.729  -0.226
  691    HD2  TYR 118           HD2      TYR 118  -7.144   6.737  -3.140
  692    HE1  TYR 118           HE1      TYR 118  -9.703   4.983   0.675
  693    HE2  TYR 118           HE2      TYR 118  -9.065   8.010  -2.267
  694    HH   TYR 118           HH       TYR 118 -11.151   7.557  -0.976
  695    H    TRP 119           H        TRP 119  -4.496   3.902  -5.048
  696    HA   TRP 119           HA       TRP 119  -3.476   1.178  -4.878
  697   1HB   TRP 119          1HB       TRP 119  -2.749   3.557  -6.572
  698   2HB   TRP 119          2HB       TRP 119  -1.896   2.006  -6.650
  699    HD1  TRP 119           HD1      TRP 119  -5.544   3.282  -7.079
  700    HE1  TRP 119           HE1      TRP 119  -6.593   1.934  -9.039
  701    HE3  TRP 119           HE3      TRP 119  -1.626   0.207  -8.108
  702    HZ2  TRP 119           HZ2      TRP 119  -5.811  -0.160 -10.774
  703    HZ3  TRP 119           HZ3      TRP 119  -1.819  -1.414  -9.898
  704    HH2  TRP 119           HH2      TRP 119  -3.871  -1.614 -11.227
  705    H    VAL 120           H        VAL 120  -1.199   0.852  -4.750
  706    HA   VAL 120           HA       VAL 120   0.358   2.882  -3.298
  707    HB   VAL 120           HB       VAL 120   0.265   0.046  -2.794
  708   1HG1  VAL 120          1HG1      VAL 120   2.492   0.985  -2.503
  709   2HG1  VAL 120          2HG1      VAL 120   1.767   0.647  -0.931
  710   3HG1  VAL 120          3HG1      VAL 120   1.830   2.303  -1.537
  711   1HG2  VAL 120          1HG2      VAL 120  -0.644   0.702  -0.627
  712   2HG2  VAL 120          2HG2      VAL 120  -1.720   1.139  -1.954
  713   3HG2  VAL 120          3HG2      VAL 120  -0.732   2.376  -1.177
  714    H    PHE 121           H        PHE 121   1.796   3.370  -4.916
  715    HA   PHE 121           HA       PHE 121   3.218   1.124  -6.198
  716   1HB   PHE 121          1HB       PHE 121   3.257   4.048  -6.953
  717   2HB   PHE 121          2HB       PHE 121   4.004   2.735  -7.840
  718    HD1  PHE 121           HD1      PHE 121   0.832   4.362  -6.983
  719    HD2  PHE 121           HD2      PHE 121   2.724   1.339  -9.298
  720    HE1  PHE 121           HE1      PHE 121  -1.225   4.092  -8.304
  721    HE2  PHE 121           HE2      PHE 121   0.676   1.071 -10.629
  722    HZ   PHE 121           HZ       PHE 121  -1.254   2.549 -10.225
  723    H    VAL 122           H        VAL 122   4.912   0.613  -4.887
  724    HA   VAL 122           HA       VAL 122   6.372   2.863  -3.700
  725    HB   VAL 122           HB       VAL 122   5.500   1.369  -2.248
  726   1HG1  VAL 122          1HG1      VAL 122   6.413  -0.897  -2.077
  727   2HG1  VAL 122          2HG1      VAL 122   7.266  -0.661  -3.603
  728   3HG1  VAL 122          3HG1      VAL 122   5.501  -0.663  -3.569
  729   1HG2  VAL 122          1HG2      VAL 122   8.496   1.339  -2.430
  730   2HG2  VAL 122          2HG2      VAL 122   7.549   0.961  -0.993
  731   3HG2  VAL 122          3HG2      VAL 122   7.499   2.584  -1.678
  732    H    LYS 123           H        LYS 123   8.439   3.240  -4.169
  733    HA   LYS 123           HA       LYS 123   9.846   1.297  -5.841
  734   1HB   LYS 123          1HB       LYS 123   9.886   4.304  -6.002
  735   2HB   LYS 123          2HB       LYS 123  11.101   3.294  -6.770
  736   1HG   LYS 123          1HG       LYS 123   9.186   2.171  -7.993
  737   2HG   LYS 123          2HG       LYS 123   8.176   3.498  -7.409
  738   1HD   LYS 123          1HD       LYS 123   9.561   5.116  -8.508
  739   2HD   LYS 123          2HD       LYS 123  10.735   3.877  -8.954
  740   1HE   LYS 123          1HE       LYS 123   8.862   2.772 -10.254
  741   2HE   LYS 123          2HE       LYS 123   7.938   4.252  -9.997
  742   1HZ   LYS 123          1HZ       LYS 123   9.702   5.498 -11.098
  743   2HZ   LYS 123          2HZ       LYS 123   9.087   4.290 -12.120
  744   3HZ   LYS 123          3HZ       LYS 123  10.576   4.067 -11.350
  745    H    ARG 124           H        ARG 124  11.352   0.373  -4.614
  746    HA   ARG 124           HA       ARG 124  12.722   2.062  -2.649
  747   1HB   ARG 124          1HB       ARG 124  13.246   0.119  -1.398
  748   2HB   ARG 124          2HB       ARG 124  11.566  -0.064  -1.874
  749   1HG   ARG 124          1HG       ARG 124  12.348  -2.166  -2.295
  750   2HG   ARG 124          2HG       ARG 124  12.615  -1.419  -3.870
  751   1HD   ARG 124          1HD       ARG 124  14.952  -0.903  -3.137
  752   2HD   ARG 124          2HD       ARG 124  14.650  -1.855  -1.686
  753    HE   ARG 124           HE       ARG 124  14.050  -3.637  -3.548
  754   1HH1  ARG 124          1HH1      ARG 124  16.736  -1.382  -3.402
  755   2HH1  ARG 124          2HH1      ARG 124  17.826  -2.422  -4.268
  756   1HH2  ARG 124          1HH2      ARG 124  15.470  -5.000  -4.705
  757   2HH2  ARG 124          2HH2      ARG 124  17.102  -4.485  -5.018
  758    H    VAL 125           H        VAL 125  14.932   2.199  -2.614
  759    HA   VAL 125           HA       VAL 125  16.416   0.649  -4.582
  760    HB   VAL 125           HB       VAL 125  16.075   2.562  -5.599
  761   1HG1  VAL 125          1HG1      VAL 125  16.729   4.733  -4.710
  762   2HG1  VAL 125          2HG1      VAL 125  17.123   3.988  -3.161
  763   3HG1  VAL 125          3HG1      VAL 125  15.456   3.999  -3.735
  764   1HG2  VAL 125          1HG2      VAL 125  18.250   1.587  -5.849
  765   2HG2  VAL 125          2HG2      VAL 125  18.834   2.456  -4.428
  766   3HG2  VAL 125          3HG2      VAL 125  18.365   3.347  -5.877
  767    H2   HC4 169           H2       HC4 169  -3.090 -10.556  18.759
  768    H3   HC4 169           H3       HC4 169  -4.885 -10.912  19.916
  769    H2'  HC4 169           H2'      HC4 169  -6.796 -10.462  21.316
  770    H3'  HC4 169           H3'      HC4 169  -8.084  -9.079  22.881
  771    H5'  HC4 169           H5'      HC4 169  -5.403  -5.840  22.192
  772    H6'  HC4 169           H6'      HC4 169  -4.071  -7.266  20.711
  773   'HO4  HC4 169          'HO4      HC4 169  -7.795  -7.045  24.262
  Start of MODEL   11
    1    H    LEU  26           H        LEU  26   9.588 -12.195 -10.869
    2    HA   LEU  26           HA       LEU  26   8.071 -10.367 -10.438
    3   1HB   LEU  26          1HB       LEU  26   8.575 -12.187  -8.070
    4   2HB   LEU  26          2HB       LEU  26   7.133 -11.216  -8.278
    5    HG   LEU  26           HG       LEU  26   6.519 -13.389  -8.913
    6   1HD1  LEU  26          1HD1      LEU  26   5.735 -11.682 -10.462
    7   2HD1  LEU  26          2HD1      LEU  26   6.001 -13.221 -11.283
    8   3HD1  LEU  26          3HD1      LEU  26   7.173 -11.916 -11.456
    9   1HD2  LEU  26          1HD2      LEU  26   8.981 -13.525 -10.645
   10   2HD2  LEU  26          2HD2      LEU  26   7.754 -14.780 -10.478
   11   3HD2  LEU  26          3HD2      LEU  26   8.763 -14.342  -9.099
   12    H    ALA  27           H        ALA  27   7.311  -8.857  -8.660
   13    HA   ALA  27           HA       ALA  27   9.269  -7.913  -6.780
   14   1HB   ALA  27          1HB       ALA  27  10.200  -6.947  -8.815
   15   2HB   ALA  27          2HB       ALA  27   9.554  -5.685  -7.764
   16   3HB   ALA  27          3HB       ALA  27   8.645  -6.201  -9.185
   17    H    PHE  28           H        PHE  28   8.364  -6.607  -5.222
   18    HA   PHE  28           HA       PHE  28   5.554  -6.030  -5.293
   19   1HB   PHE  28          1HB       PHE  28   7.775  -5.583  -3.380
   20   2HB   PHE  28          2HB       PHE  28   6.448  -4.430  -3.303
   21    HD1  PHE  28           HD1      PHE  28   7.449  -7.904  -2.830
   22    HD2  PHE  28           HD2      PHE  28   4.256  -5.109  -2.552
   23    HE1  PHE  28           HE1      PHE  28   6.166  -9.511  -1.483
   24    HE2  PHE  28           HE2      PHE  28   2.967  -6.710  -1.203
   25    HZ   PHE  28           HZ       PHE  28   3.880  -8.878  -0.662
   26    H    GLY  29           H        GLY  29   5.544  -4.922  -7.347
   27   1HA   GLY  29          1HA       GLY  29   6.808  -2.302  -7.436
   28   2HA   GLY  29          2HA       GLY  29   5.905  -3.071  -8.735
   29    H    ALA  30           H        ALA  30   3.531  -3.325  -8.300
   30    HA   ALA  30           HA       ALA  30   2.503  -0.993  -6.827
   31   1HB   ALA  30          1HB       ALA  30   2.561  -0.483  -9.222
   32   2HB   ALA  30          2HB       ALA  30   0.906  -0.584  -8.623
   33   3HB   ALA  30          3HB       ALA  30   1.588  -1.917  -9.554
   34    H    ILE  31           H        ILE  31   1.298  -1.767  -5.221
   35    HA   ILE  31           HA       ILE  31  -0.630  -3.881  -5.901
   36    HB   ILE  31           HB       ILE  31   0.821  -4.641  -4.444
   37   1HG1  ILE  31          1HG1      ILE  31  -1.836  -3.981  -3.254
   38   2HG1  ILE  31          2HG1      ILE  31  -1.367  -5.403  -4.180
   39   1HG2  ILE  31          1HG2      ILE  31   1.103  -3.651  -2.199
   40   2HG2  ILE  31          2HG2      ILE  31   0.190  -2.244  -2.744
   41   3HG2  ILE  31          3HG2      ILE  31   1.743  -2.632  -3.488
   42   1HD1  ILE  31          1HD1      ILE  31  -1.551  -5.911  -1.813
   43   2HD1  ILE  31          2HD1      ILE  31  -0.341  -4.681  -1.448
   44   3HD1  ILE  31          3HD1      ILE  31   0.106  -6.109  -2.381
   45    H    GLN  32           H        GLN  32  -2.746  -3.577  -5.290
   46    HA   GLN  32           HA       GLN  32  -3.309  -0.839  -4.376
   47   1HB   GLN  32          1HB       GLN  32  -4.995  -0.532  -5.962
   48   2HB   GLN  32          2HB       GLN  32  -3.683  -1.282  -6.850
   49   1HG   GLN  32          1HG       GLN  32  -5.297  -2.580  -7.668
   50   2HG   GLN  32          2HG       GLN  32  -5.118  -3.459  -6.150
   51   1HE2  GLN  32          1HE2      GLN  32  -7.055  -1.175  -7.931
   52   2HE2  GLN  32          2HE2      GLN  32  -8.442  -1.251  -6.905
   53    H    LEU  33           H        LEU  33  -4.992  -0.497  -3.047
   54    HA   LEU  33           HA       LEU  33  -6.461  -2.868  -2.097
   55   1HB   LEU  33          1HB       LEU  33  -6.226  -2.006   0.223
   56   2HB   LEU  33          2HB       LEU  33  -4.744  -2.603  -0.487
   57    HG   LEU  33           HG       LEU  33  -4.254  -0.113  -1.023
   58   1HD1  LEU  33          1HD1      LEU  33  -5.210   1.449   0.618
   59   2HD1  LEU  33          2HD1      LEU  33  -6.311   0.182   1.157
   60   3HD1  LEU  33          3HD1      LEU  33  -6.425   0.806  -0.489
   61   1HD2  LEU  33          1HD2      LEU  33  -4.186  -1.167   1.797
   62   2HD2  LEU  33          2HD2      LEU  33  -3.220   0.173   1.175
   63   3HD2  LEU  33          3HD2      LEU  33  -2.980  -1.459   0.545
   64    H    ASP  34           H        ASP  34  -8.398  -2.320  -0.883
   65    HA   ASP  34           HA       ASP  34  -9.738  -0.157  -2.283
   66   1HB   ASP  34          1HB       ASP  34 -11.821  -1.040  -1.464
   67   2HB   ASP  34          2HB       ASP  34 -10.854  -2.354  -2.109
   68    H    GLY  35           H        GLY  35 -11.142   1.313  -1.204
   69   1HA   GLY  35          1HA       GLY  35  -9.752   2.636   0.936
   70   2HA   GLY  35          2HA       GLY  35 -11.221   3.186   0.140
   71    H    ASP  36           H        ASP  36 -11.205  -0.026   1.304
   72    HA   ASP  36           HA       ASP  36 -12.965   0.750   3.510
   73   1HB   ASP  36          1HB       ASP  36 -13.158  -1.275   1.590
   74   2HB   ASP  36          2HB       ASP  36 -12.709  -2.110   3.076
   75    H    GLY  37           H        GLY  37 -10.070  -1.129   2.691
   76   1HA   GLY  37          1HA       GLY  37  -8.359  -0.460   4.541
   77   2HA   GLY  37          2HA       GLY  37  -9.475  -1.338   5.567
   78    H    ASN  38           H        ASN  38  -9.308  -2.812   2.499
   79    HA   ASN  38           HA       ASN  38  -7.078  -4.497   3.390
   80   1HB   ASN  38          1HB       ASN  38  -8.303  -6.559   2.764
   81   2HB   ASN  38          2HB       ASN  38  -8.960  -5.732   4.165
   82   1HD2  ASN  38          1HD2      ASN  38  -9.574  -4.563   0.941
   83   2HD2  ASN  38          2HD2      ASN  38 -11.248  -4.988   0.912
   84    H    ILE  39           H        ILE  39  -6.285  -5.975   1.783
   85    HA   ILE  39           HA       ILE  39  -5.695  -4.458  -0.571
   86    HB   ILE  39           HB       ILE  39  -4.958  -7.115   0.290
   87   1HG1  ILE  39          1HG1      ILE  39  -3.514  -4.483   0.474
   88   2HG1  ILE  39          2HG1      ILE  39  -4.407  -5.221   1.797
   89   1HG2  ILE  39          1HG2      ILE  39  -3.106  -6.796  -1.307
   90   2HG2  ILE  39          2HG2      ILE  39  -3.859  -5.304  -1.870
   91   3HG2  ILE  39          3HG2      ILE  39  -4.671  -6.850  -2.120
   92   1HD1  ILE  39          1HD1      ILE  39  -2.917  -7.125   1.764
   93   2HD1  ILE  39          2HD1      ILE  39  -2.018  -5.622   1.972
   94   3HD1  ILE  39          3HD1      ILE  39  -2.039  -6.429   0.404
   95    H    LEU  40           H        LEU  40  -6.154  -4.963  -2.693
   96    HA   LEU  40           HA       LEU  40  -8.231  -7.022  -3.056
   97   1HB   LEU  40          1HB       LEU  40  -9.165  -4.779  -3.226
   98   2HB   LEU  40          2HB       LEU  40  -7.976  -4.355  -4.443
   99    HG   LEU  40           HG       LEU  40  -8.970  -6.074  -5.948
  100   1HD1  LEU  40          1HD1      LEU  40 -11.091  -6.239  -3.810
  101   2HD1  LEU  40          2HD1      LEU  40  -9.950  -7.514  -4.238
  102   3HD1  LEU  40          3HD1      LEU  40 -11.164  -6.991  -5.405
  103   1HD2  LEU  40          1HD2      LEU  40 -10.987  -4.778  -6.478
  104   2HD2  LEU  40          2HD2      LEU  40  -9.600  -3.738  -6.160
  105   3HD2  LEU  40          3HD2      LEU  40 -10.848  -3.943  -4.931
  106    H    GLN  41           H        GLN  41  -5.800  -5.134  -4.905
  107    HA   GLN  41           HA       GLN  41  -5.394  -7.550  -6.553
  108   1HB   GLN  41          1HB       GLN  41  -5.500  -4.704  -7.568
  109   2HB   GLN  41          2HB       GLN  41  -5.107  -6.119  -8.537
  110   1HG   GLN  41          1HG       GLN  41  -7.332  -7.017  -8.144
  111   2HG   GLN  41          2HG       GLN  41  -7.726  -5.618  -7.147
  112   1HE2  GLN  41          1HE2      GLN  41  -9.014  -6.581  -9.562
  113   2HE2  GLN  41          2HE2      GLN  41  -8.933  -5.282 -10.706
  114    H    TYR  42           H        TYR  42  -3.337  -7.951  -7.286
  115    HA   TYR  42           HA       TYR  42  -1.235  -6.122  -6.356
  116   1HB   TYR  42          1HB       TYR  42  -1.350  -7.909  -4.708
  117   2HB   TYR  42          2HB       TYR  42  -1.274  -9.128  -5.979
  118    HD1  TYR  42           HD1      TYR  42   0.780 -10.004  -6.616
  119    HD2  TYR  42           HD2      TYR  42   0.677  -6.305  -4.523
  120    HE1  TYR  42           HE1      TYR  42   3.233 -10.047  -6.427
  121    HE2  TYR  42           HE2      TYR  42   3.124  -6.335  -4.332
  122    HH   TYR  42           HH       TYR  42   4.933  -8.276  -4.309
  123    H    ASN  43           H        ASN  43   0.402  -5.804  -7.749
  124    HA   ASN  43           HA       ASN  43   0.374  -7.355 -10.248
  125   1HB   ASN  43          1HB       ASN  43   1.531  -4.621  -9.640
  126   2HB   ASN  43          2HB       ASN  43   1.677  -5.447 -11.190
  127   1HD2  ASN  43          1HD2      ASN  43  -0.496  -3.849  -8.983
  128   2HD2  ASN  43          2HD2      ASN  43  -1.798  -3.638 -10.107
  129    H    ALA  44           H        ALA  44   1.752  -8.979 -10.176
  130    HA   ALA  44           HA       ALA  44   4.018  -8.910  -8.363
  131   1HB   ALA  44          1HB       ALA  44   2.592 -10.893  -8.455
  132   2HB   ALA  44          2HB       ALA  44   4.256 -11.274  -8.897
  133   3HB   ALA  44          3HB       ALA  44   3.024 -11.126 -10.150
  134    H    ALA  45           H        ALA  45   3.395  -8.893 -11.807
  135    HA   ALA  45           HA       ALA  45   6.298  -8.681 -12.257
  136   1HB   ALA  45          1HB       ALA  45   4.260  -9.834 -14.157
  137   2HB   ALA  45          2HB       ALA  45   5.378 -10.769 -13.163
  138   3HB   ALA  45          3HB       ALA  45   5.998  -9.712 -14.431
  139    H    GLU  46           H        GLU  46   6.322  -6.440 -12.133
  140    HA   GLU  46           HA       GLU  46   4.810  -5.011 -14.206
  141   1HB   GLU  46          1HB       GLU  46   4.721  -4.225 -11.798
  142   2HB   GLU  46          2HB       GLU  46   6.423  -3.813 -11.945
  143   1HG   GLU  46          1HG       GLU  46   5.873  -2.253 -13.759
  144   2HG   GLU  46          2HG       GLU  46   4.167  -2.648 -13.562
  145    H    GLY  47           H        GLY  47   7.462  -6.664 -14.132
  146   1HA   GLY  47          1HA       GLY  47   9.072  -6.611 -15.880
  147   2HA   GLY  47          2HA       GLY  47   8.902  -4.862 -15.944
  148    H    ASP  48           H        ASP  48   9.016  -4.754 -12.974
  149    HA   ASP  48           HA       ASP  48  11.883  -4.482 -12.781
  150   1HB   ASP  48          1HB       ASP  48  10.274  -2.797 -11.868
  151   2HB   ASP  48          2HB       ASP  48   9.773  -3.987 -10.674
  152    H    ILE  49           H        ILE  49  13.200  -5.492 -11.235
  153    HA   ILE  49           HA       ILE  49  12.112  -8.003 -10.129
  154    HB   ILE  49           HB       ILE  49  14.783  -7.505 -11.074
  155   1HG1  ILE  49          1HG1      ILE  49  12.507  -9.012 -12.360
  156   2HG1  ILE  49          2HG1      ILE  49  13.137  -7.463 -12.912
  157   1HG2  ILE  49          1HG2      ILE  49  14.663  -9.159  -9.320
  158   2HG2  ILE  49          2HG2      ILE  49  14.888  -9.974 -10.869
  159   3HG2  ILE  49          3HG2      ILE  49  13.297  -9.946 -10.107
  160   1HD1  ILE  49          1HD1      ILE  49  14.006  -9.275 -14.259
  161   2HD1  ILE  49          2HD1      ILE  49  14.647 -10.065 -12.819
  162   3HD1  ILE  49          3HD1      ILE  49  15.306  -8.514 -13.339
  163    H    THR  50           H        THR  50  11.849  -7.186  -8.038
  164    HA   THR  50           HA       THR  50  14.112  -6.073  -6.632
  165    HB   THR  50           HB       THR  50  12.690  -6.492  -4.756
  166    HG1  THR  50           HG1      THR  50  11.022  -7.706  -5.244
  167   1HG2  THR  50          1HG2      THR  50  13.032  -4.326  -5.825
  168   2HG2  THR  50          2HG2      THR  50  11.354  -4.538  -5.326
  169   3HG2  THR  50          3HG2      THR  50  11.800  -4.721  -7.023
  170    H    GLY  51           H        GLY  51  14.332  -7.248  -4.247
  171   1HA   GLY  51          1HA       GLY  51  15.027 -10.034  -4.951
  172   2HA   GLY  51          2HA       GLY  51  16.101  -8.994  -4.032
  173    H    ARG  52           H        ARG  52  14.497  -7.898  -2.134
  174    HA   ARG  52           HA       ARG  52  13.992 -10.294  -0.536
  175   1HB   ARG  52          1HB       ARG  52  14.172  -8.754   1.413
  176   2HB   ARG  52          2HB       ARG  52  15.616  -8.807   0.412
  177   1HG   ARG  52          1HG       ARG  52  15.002  -6.702  -0.627
  178   2HG   ARG  52          2HG       ARG  52  13.517  -6.651   0.325
  179   1HD   ARG  52          1HD       ARG  52  14.938  -6.679   2.382
  180   2HD   ARG  52          2HD       ARG  52  16.350  -6.510   1.338
  181    HE   ARG  52           HE       ARG  52  14.635  -4.464   0.645
  182   1HH1  ARG  52          1HH1      ARG  52  16.433  -5.491   3.462
  183   2HH1  ARG  52          2HH1      ARG  52  16.479  -3.908   4.183
  184   1HH2  ARG  52          1HH2      ARG  52  14.725  -2.376   1.534
  185   2HH2  ARG  52          2HH2      ARG  52  15.521  -2.113   3.061
  186    H    ASP  53           H        ASP  53  11.930 -10.483  -1.785
  187    HA   ASP  53           HA       ASP  53   9.834  -8.659  -0.865
  188   1HB   ASP  53          1HB       ASP  53   9.808 -10.812  -2.989
  189   2HB   ASP  53          2HB       ASP  53   8.415  -9.830  -2.552
  190    HA   PRO  54           HA       PRO  54   8.988 -11.841   2.210
  191   1HB   PRO  54          1HB       PRO  54   7.109  -9.834   3.240
  192   2HB   PRO  54          2HB       PRO  54   8.506 -10.573   4.028
  193   1HG   PRO  54          1HG       PRO  54   8.528  -8.006   3.256
  194   2HG   PRO  54          2HG       PRO  54   9.982  -9.018   3.168
  195   1HD   PRO  54          1HD       PRO  54   8.072  -8.256   0.980
  196   2HD   PRO  54          2HD       PRO  54   9.851  -8.276   0.962
  197    H    LYS  55           H        LYS  55   6.638 -10.013   0.337
  198    HA   LYS  55           HA       LYS  55   4.615 -10.551  -0.550
  199   1HB   LYS  55          1HB       LYS  55   5.603 -13.354  -0.004
  200   2HB   LYS  55          2HB       LYS  55   4.136 -12.996  -0.902
  201   1HG   LYS  55          1HG       LYS  55   5.356 -11.962  -2.657
  202   2HG   LYS  55          2HG       LYS  55   6.844 -11.968  -1.708
  203   1HD   LYS  55          1HD       LYS  55   6.879 -13.731  -3.395
  204   2HD   LYS  55          2HD       LYS  55   6.878 -14.411  -1.769
  205   1HE   LYS  55          1HE       LYS  55   5.381 -15.668  -3.197
  206   2HE   LYS  55          2HE       LYS  55   4.462 -14.819  -1.957
  207   1HZ   LYS  55          1HZ       LYS  55   3.746 -13.219  -3.518
  208   2HZ   LYS  55          2HZ       LYS  55   3.519 -14.728  -4.257
  209   3HZ   LYS  55          3HZ       LYS  55   4.836 -13.756  -4.697
  210    H    GLN  56           H        GLN  56   4.735  -9.895   2.205
  211    HA   GLN  56           HA       GLN  56   2.900 -11.737   3.537
  212   1HB   GLN  56          1HB       GLN  56   4.523  -9.397   4.521
  213   2HB   GLN  56          2HB       GLN  56   3.336 -10.220   5.524
  214   1HG   GLN  56          1HG       GLN  56   5.719 -11.537   4.239
  215   2HG   GLN  56          2HG       GLN  56   5.633 -10.998   5.917
  216   1HE2  GLN  56          1HE2      GLN  56   6.030 -13.687   4.824
  217   2HE2  GLN  56          2HE2      GLN  56   4.752 -14.657   5.485
  218    H    VAL  57           H        VAL  57   2.753  -8.836   1.792
  219    HA   VAL  57           HA       VAL  57   0.270  -8.071   3.163
  220    HB   VAL  57           HB       VAL  57   0.607  -5.983   2.019
  221   1HG1  VAL  57          1HG1      VAL  57   1.958  -5.251   3.925
  222   2HG1  VAL  57          2HG1      VAL  57   2.371  -6.928   4.278
  223   3HG1  VAL  57          3HG1      VAL  57   0.701  -6.381   4.423
  224   1HG2  VAL  57          1HG2      VAL  57   2.476  -6.759   0.572
  225   2HG2  VAL  57          2HG2      VAL  57   3.462  -6.934   2.025
  226   3HG2  VAL  57          3HG2      VAL  57   2.856  -5.348   1.557
  227    H    ILE  58           H        ILE  58  -0.689  -9.735   1.808
  228    HA   ILE  58           HA       ILE  58  -2.372  -8.503  -0.050
  229    HB   ILE  58           HB       ILE  58  -0.455  -8.660  -1.338
  230   1HG1  ILE  58          1HG1      ILE  58  -3.029  -9.063  -2.032
  231   2HG1  ILE  58          2HG1      ILE  58  -1.706  -8.932  -3.180
  232   1HG2  ILE  58          1HG2      ILE  58  -0.815 -11.631  -1.013
  233   2HG2  ILE  58          2HG2      ILE  58   0.556 -10.665  -0.468
  234   3HG2  ILE  58          3HG2      ILE  58   0.246 -10.857  -2.193
  235   1HD1  ILE  58          1HD1      ILE  58  -1.558 -11.370  -3.277
  236   2HD1  ILE  58          2HD1      ILE  58  -3.162 -10.789  -3.723
  237   3HD1  ILE  58          3HD1      ILE  58  -2.892 -11.492  -2.129
  238    H    GLY  59           H        GLY  59  -4.064  -9.929  -0.701
  239   1HA   GLY  59          1HA       GLY  59  -5.414 -11.819  -0.430
  240   2HA   GLY  59          2HA       GLY  59  -4.112 -12.591   0.476
  241    H    LYS  60           H        LYS  60  -5.252  -9.369   1.092
  242    HA   LYS  60           HA       LYS  60  -6.048 -10.218   3.786
  243   1HB   LYS  60          1HB       LYS  60  -4.231  -8.631   3.760
  244   2HB   LYS  60          2HB       LYS  60  -5.106  -7.583   2.653
  245   1HG   LYS  60          1HG       LYS  60  -5.100  -6.685   4.908
  246   2HG   LYS  60          2HG       LYS  60  -6.733  -7.083   4.385
  247   1HD   LYS  60          1HD       LYS  60  -6.511  -7.787   6.650
  248   2HD   LYS  60          2HD       LYS  60  -6.525  -9.235   5.647
  249   1HE   LYS  60          1HE       LYS  60  -3.931  -7.979   6.440
  250   2HE   LYS  60          2HE       LYS  60  -4.799  -9.000   7.583
  251   1HZ   LYS  60          1HZ       LYS  60  -3.581  -9.743   4.998
  252   2HZ   LYS  60          2HZ       LYS  60  -4.827 -10.682   5.663
  253   3HZ   LYS  60          3HZ       LYS  60  -3.383 -10.459   6.521
  254    H    ASN  61           H        ASN  61  -8.158 -10.176   4.274
  255    HA   ASN  61           HA       ASN  61  -9.904  -8.212   3.021
  256   1HB   ASN  61          1HB       ASN  61 -10.026 -10.101   1.483
  257   2HB   ASN  61          2HB       ASN  61 -10.389 -11.188   2.817
  258   1HD2  ASN  61          1HD2      ASN  61 -11.712  -7.944   2.293
  259   2HD2  ASN  61          2HD2      ASN  61 -13.346  -8.470   2.083
  260    H    PHE  62           H        PHE  62 -10.741  -7.269   4.730
  261    HA   PHE  62           HA       PHE  62 -12.421  -8.851   6.493
  262   1HB   PHE  62          1HB       PHE  62 -11.552  -7.891   8.555
  263   2HB   PHE  62          2HB       PHE  62 -10.258  -8.725   7.705
  264    HD1  PHE  62           HD1      PHE  62 -11.420  -5.593   9.048
  265    HD2  PHE  62           HD2      PHE  62  -8.548  -7.389   6.474
  266    HE1  PHE  62           HE1      PHE  62 -10.038  -3.562   9.181
  267    HE2  PHE  62           HE2      PHE  62  -7.160  -5.363   6.600
  268    HZ   PHE  62           HZ       PHE  62  -7.904  -3.445   7.956
  269    H    PHE  63           H        PHE  63 -12.157  -6.491   4.422
  270    HA   PHE  63           HA       PHE  63 -13.167  -4.576   3.878
  271   1HB   PHE  63          1HB       PHE  63 -15.127  -5.472   5.992
  272   2HB   PHE  63          2HB       PHE  63 -15.378  -4.050   4.979
  273    HD1  PHE  63           HD1      PHE  63 -15.590  -7.627   5.203
  274    HD2  PHE  63           HD2      PHE  63 -15.530  -4.348   2.492
  275    HE1  PHE  63           HE1      PHE  63 -16.567  -9.058   3.456
  276    HE2  PHE  63           HE2      PHE  63 -16.511  -5.771   0.742
  277    HZ   PHE  63           HZ       PHE  63 -16.994  -8.128   1.202
  278    H    LYS  64           H        LYS  64 -14.239  -4.075   7.191
  279    HA   LYS  64           HA       LYS  64 -12.096  -2.126   7.560
  280   1HB   LYS  64          1HB       LYS  64 -14.003  -0.933   6.509
  281   2HB   LYS  64          2HB       LYS  64 -15.031  -1.442   7.842
  282   1HG   LYS  64          1HG       LYS  64 -13.598  -0.192   9.400
  283   2HG   LYS  64          2HG       LYS  64 -12.619   0.351   8.039
  284   1HD   LYS  64          1HD       LYS  64 -15.576   0.876   8.268
  285   2HD   LYS  64          2HD       LYS  64 -14.348   1.987   8.872
  286   1HE   LYS  64          1HE       LYS  64 -14.941   2.791   6.739
  287   2HE   LYS  64          2HE       LYS  64 -13.390   1.985   6.524
  288   1HZ   LYS  64          1HZ       LYS  64 -14.500   0.087   5.588
  289   2HZ   LYS  64          2HZ       LYS  64 -15.017   1.476   4.765
  290   3HZ   LYS  64          3HZ       LYS  64 -16.023   0.750   5.920
  291    H    ASP  65           H        ASP  65 -11.784  -1.494   9.758
  292    HA   ASP  65           HA       ASP  65 -12.272  -3.538  11.642
  293   1HB   ASP  65          1HB       ASP  65 -11.235  -2.090  13.271
  294   2HB   ASP  65          2HB       ASP  65 -10.346  -1.952  11.760
  295    H    VAL  66           H        VAL  66 -13.784  -3.754  13.207
  296    HA   VAL  66           HA       VAL  66 -15.791  -1.630  13.460
  297    HB   VAL  66           HB       VAL  66 -16.500  -3.378  12.157
  298   1HG1  VAL  66          1HG1      VAL  66 -16.144  -5.045  14.636
  299   2HG1  VAL  66          2HG1      VAL  66 -15.288  -5.232  13.105
  300   3HG1  VAL  66          3HG1      VAL  66 -17.023  -5.538  13.189
  301   1HG2  VAL  66          1HG2      VAL  66 -18.077  -2.024  13.337
  302   2HG2  VAL  66          2HG2      VAL  66 -17.889  -3.006  14.790
  303   3HG2  VAL  66          3HG2      VAL  66 -18.616  -3.703  13.343
  304    H    ALA  67           H        ALA  67 -13.559  -1.850  14.980
  305    HA   ALA  67           HA       ALA  67 -14.524  -1.999  17.640
  306   1HB   ALA  67          1HB       ALA  67 -14.321  -4.416  17.277
  307   2HB   ALA  67          2HB       ALA  67 -13.123  -3.854  18.444
  308   3HB   ALA  67          3HB       ALA  67 -12.640  -4.208  16.785
  309    HA   PRO  68           HA       PRO  68 -11.058   0.733  18.092
  310   1HB   PRO  68          1HB       PRO  68 -10.489   0.407  20.746
  311   2HB   PRO  68          2HB       PRO  68 -11.867   1.340  20.153
  312   1HG   PRO  68          1HG       PRO  68 -11.779  -1.476  21.165
  313   2HG   PRO  68          2HG       PRO  68 -12.965  -0.201  21.503
  314   1HD   PRO  68          1HD       PRO  68 -13.453  -2.163  19.730
  315   2HD   PRO  68          2HD       PRO  68 -14.058  -0.512  19.487
  316    H    CYS  69           H        CYS  69 -10.807  -2.571  18.387
  317    HA   CYS  69           HA       CYS  69  -8.173  -2.996  19.261
  318   1HB   CYS  69          1HB       CYS  69  -9.735  -4.819  19.133
  319   2HB   CYS  69          2HB       CYS  69  -9.988  -4.553  17.415
  320    H    THR  70           H        THR  70  -9.520  -2.471  16.018
  321    HA   THR  70           HA       THR  70  -6.791  -2.525  14.931
  322    HB   THR  70           HB       THR  70  -9.236  -2.579  13.446
  323    HG1  THR  70           HG1      THR  70  -7.801  -4.762  14.618
  324   1HG2  THR  70          1HG2      THR  70  -7.837  -3.791  11.878
  325   2HG2  THR  70          2HG2      THR  70  -6.468  -3.674  12.984
  326   3HG2  THR  70          3HG2      THR  70  -7.129  -2.217  12.242
  327    H    ASP  71           H        ASP  71  -6.199  -0.956  13.322
  328    HA   ASP  71           HA       ASP  71  -7.935   1.209  12.628
  329   1HB   ASP  71          1HB       ASP  71  -6.588   3.023  13.591
  330   2HB   ASP  71          2HB       ASP  71  -7.267   2.002  14.850
  331    H    SER  72           H        SER  72  -6.608   2.885  11.315
  332    HA   SER  72           HA       SER  72  -5.295   1.347   9.282
  333   1HB   SER  72          1HB       SER  72  -5.683   4.346   9.457
  334   2HB   SER  72          2HB       SER  72  -5.298   3.417   8.009
  335    HG   SER  72           HG       SER  72  -7.517   2.460   9.258
  336    HA   PRO  73           HA       PRO  73  -1.186   2.471  10.762
  337   1HB   PRO  73          1HB       PRO  73   0.072   0.324   9.833
  338   2HB   PRO  73          2HB       PRO  73  -1.064   0.185  11.181
  339   1HG   PRO  73          1HG       PRO  73  -1.397  -0.611   8.337
  340   2HG   PRO  73          2HG       PRO  73  -2.102  -1.327   9.796
  341   1HD   PRO  73          1HD       PRO  73  -3.317   0.540   8.009
  342   2HD   PRO  73          2HD       PRO  73  -3.980  -0.091   9.530
  343    H    GLU  74           H        GLU  74   1.056   2.201   9.527
  344    HA   GLU  74           HA       GLU  74   2.459   2.890   7.900
  345   1HB   GLU  74          1HB       GLU  74   0.281   1.853   6.077
  346   2HB   GLU  74          2HB       GLU  74   1.922   2.240   5.576
  347   1HG   GLU  74          1HG       GLU  74   1.161   0.126   7.581
  348   2HG   GLU  74          2HG       GLU  74   1.589  -0.163   5.896
  349    H    PHE  75           H        PHE  75   1.615   5.042   8.865
  350    HA   PHE  75           HA       PHE  75   0.091   6.683   7.064
  351   1HB   PHE  75          1HB       PHE  75   1.723   7.431   9.497
  352   2HB   PHE  75          2HB       PHE  75   0.665   8.527   8.617
  353    HD1  PHE  75           HD1      PHE  75   0.918   6.231  11.285
  354    HD2  PHE  75           HD2      PHE  75  -1.818   7.831   8.447
  355    HE1  PHE  75           HE1      PHE  75  -0.959   5.548  12.718
  356    HE2  PHE  75           HE2      PHE  75  -3.701   7.151   9.876
  357    HZ   PHE  75           HZ       PHE  75  -3.274   6.011  12.014
  358    H    TYR  76           H        TYR  76   1.241   6.648   5.117
  359    HA   TYR  76           HA       TYR  76   3.790   8.117   5.192
  360   1HB   TYR  76          1HB       TYR  76   2.798   6.114   3.155
  361   2HB   TYR  76          2HB       TYR  76   4.254   7.088   2.956
  362    HD1  TYR  76           HD1      TYR  76   6.040   6.889   4.830
  363    HD2  TYR  76           HD2      TYR  76   2.919   4.064   4.229
  364    HE1  TYR  76           HE1      TYR  76   7.349   5.196   6.041
  365    HE2  TYR  76           HE2      TYR  76   4.216   2.363   5.441
  366    HH   TYR  76           HH       TYR  76   6.944   3.104   7.305
  367    H    GLY  77           H        GLY  77   0.863   7.676   3.165
  368   1HA   GLY  77          1HA       GLY  77   1.215  10.452   2.265
  369   2HA   GLY  77          2HA       GLY  77   0.186   9.247   1.493
  370    H    LYS  78           H        LYS  78   0.442   9.936   4.913
  371    HA   LYS  78           HA       LYS  78  -1.107  10.406   6.509
  372   1HB   LYS  78          1HB       LYS  78  -2.492  12.042   4.373
  373   2HB   LYS  78          2HB       LYS  78  -2.573  12.274   6.114
  374   1HG   LYS  78          1HG       LYS  78  -0.121  12.663   4.406
  375   2HG   LYS  78          2HG       LYS  78  -1.159  13.945   5.025
  376   1HD   LYS  78          1HD       LYS  78   0.267  11.975   6.798
  377   2HD   LYS  78          2HD       LYS  78   0.956  13.530   6.328
  378   1HE   LYS  78          1HE       LYS  78  -0.980  14.670   7.326
  379   2HE   LYS  78          2HE       LYS  78  -1.629  13.106   7.824
  380   1HZ   LYS  78          1HZ       LYS  78  -0.392  14.323   9.587
  381   2HZ   LYS  78          2HZ       LYS  78   1.021  14.137   8.671
  382   3HZ   LYS  78          3HZ       LYS  78   0.212  12.771   9.266
  383    H    PHE  79           H        PHE  79  -1.497   7.994   5.509
  384    HA   PHE  79           HA       PHE  79  -3.439   7.370   3.726
  385   1HB   PHE  79          1HB       PHE  79  -1.808   5.784   4.700
  386   2HB   PHE  79          2HB       PHE  79  -2.776   5.726   6.170
  387    HD1  PHE  79           HD1      PHE  79  -4.665   4.321   6.326
  388    HD2  PHE  79           HD2      PHE  79  -2.787   4.953   2.560
  389    HE1  PHE  79           HE1      PHE  79  -6.026   2.516   5.347
  390    HE2  PHE  79           HE2      PHE  79  -4.141   3.153   1.575
  391    HZ   PHE  79           HZ       PHE  79  -5.766   1.932   2.967
  392    H    LYS  80           H        LYS  80  -3.988   7.935   7.196
  393    HA   LYS  80           HA       LYS  80  -6.637   6.874   7.168
  394   1HB   LYS  80          1HB       LYS  80  -5.408   6.940   9.256
  395   2HB   LYS  80          2HB       LYS  80  -5.263   8.690   9.155
  396   1HG   LYS  80          1HG       LYS  80  -6.970   8.030  10.757
  397   2HG   LYS  80          2HG       LYS  80  -7.672   8.923   9.405
  398   1HD   LYS  80          1HD       LYS  80  -8.249   6.709   8.371
  399   2HD   LYS  80          2HD       LYS  80  -7.741   5.945   9.879
  400   1HE   LYS  80          1HE       LYS  80  -9.907   8.031   9.625
  401   2HE   LYS  80          2HE       LYS  80 -10.180   6.296   9.760
  402   1HZ   LYS  80          1HZ       LYS  80  -9.134   6.323  11.928
  403   2HZ   LYS  80          2HZ       LYS  80 -10.436   7.414  11.883
  404   3HZ   LYS  80          3HZ       LYS  80  -8.844   7.992  11.802
  405    H    GLU  81           H        GLU  81  -5.230  10.036   6.748
  406    HA   GLU  81           HA       GLU  81  -7.799  11.364   6.646
  407   1HB   GLU  81          1HB       GLU  81  -5.692  12.431   7.535
  408   2HB   GLU  81          2HB       GLU  81  -5.067  12.425   5.893
  409   1HG   GLU  81          1HG       GLU  81  -6.909  13.871   5.191
  410   2HG   GLU  81          2HG       GLU  81  -7.515  13.891   6.848
  411    H    GLY  82           H        GLY  82  -5.426  10.007   4.515
  412   1HA   GLY  82          1HA       GLY  82  -6.074  11.120   2.091
  413   2HA   GLY  82          2HA       GLY  82  -5.419   9.522   2.323
  414    H    VAL  83           H        VAL  83  -7.373   8.345   3.754
  415    HA   VAL  83           HA       VAL  83  -9.125   7.459   1.731
  416    HB   VAL  83           HB       VAL  83  -9.283   7.277   4.593
  417   1HG1  VAL  83          1HG1      VAL  83 -10.668   5.752   2.381
  418   2HG1  VAL  83          2HG1      VAL  83 -11.438   6.790   3.581
  419   3HG1  VAL  83          3HG1      VAL  83 -10.666   5.286   4.082
  420   1HG2  VAL  83          1HG2      VAL  83  -8.101   5.469   2.503
  421   2HG2  VAL  83          2HG2      VAL  83  -8.248   5.106   4.222
  422   3HG2  VAL  83          3HG2      VAL  83  -7.206   6.423   3.685
  423    H    ALA  84           H        ALA  84  -9.688   9.517   4.578
  424    HA   ALA  84           HA       ALA  84 -12.497   9.667   3.972
  425   1HB   ALA  84          1HB       ALA  84 -12.690  10.939   6.041
  426   2HB   ALA  84          2HB       ALA  84 -10.932  11.021   6.165
  427   3HB   ALA  84          3HB       ALA  84 -11.755   9.466   6.293
  428    H    SER  85           H        SER  85  -9.690  11.641   3.546
  429    HA   SER  85           HA       SER  85 -11.070  14.058   2.969
  430   1HB   SER  85          1HB       SER  85  -8.593  13.873   3.426
  431   2HB   SER  85          2HB       SER  85  -8.409  13.191   1.812
  432    HG   SER  85           HG       SER  85  -9.703  15.290   1.291
  433    H    GLY  86           H        GLY  86 -10.467  11.143   1.204
  434   1HA   GLY  86          1HA       GLY  86 -11.710  10.385  -0.609
  435   2HA   GLY  86          2HA       GLY  86 -12.381  11.998  -0.791
  436    H    ASN  87           H        ASN  87  -9.008  12.006  -0.545
  437    HA   ASN  87           HA       ASN  87  -8.579  11.697  -3.378
  438   1HB   ASN  87          1HB       ASN  87  -7.483  13.958  -3.612
  439   2HB   ASN  87          2HB       ASN  87  -9.234  13.982  -3.470
  440   1HD2  ASN  87          1HD2      ASN  87 -10.172  14.967  -1.762
  441   2HD2  ASN  87          2HD2      ASN  87  -9.299  15.900  -0.587
  442    H    LEU  88           H        LEU  88  -7.616  10.112  -1.525
  443    HA   LEU  88           HA       LEU  88  -4.981  10.737  -0.719
  444   1HB   LEU  88          1HB       LEU  88  -6.679   8.751  -0.123
  445   2HB   LEU  88          2HB       LEU  88  -5.666   7.925  -1.296
  446    HG   LEU  88           HG       LEU  88  -4.719   9.348   1.142
  447   1HD1  LEU  88          1HD1      LEU  88  -5.944   7.329   1.720
  448   2HD1  LEU  88          2HD1      LEU  88  -4.220   7.095   2.014
  449   3HD1  LEU  88          3HD1      LEU  88  -4.975   6.395   0.581
  450   1HD2  LEU  88          1HD2      LEU  88  -3.201   7.631  -0.810
  451   2HD2  LEU  88          2HD2      LEU  88  -2.552   8.296   0.691
  452   3HD2  LEU  88          3HD2      LEU  88  -3.046   9.377  -0.612
  453    H    ASN  89           H        ASN  89  -4.018  11.636  -2.635
  454    HA   ASN  89           HA       ASN  89  -2.694   9.453  -4.015
  455   1HB   ASN  89          1HB       ASN  89  -2.935  10.317  -6.218
  456   2HB   ASN  89          2HB       ASN  89  -4.547  10.321  -5.523
  457   1HD2  ASN  89          1HD2      ASN  89  -5.561  12.293  -5.089
  458   2HD2  ASN  89          2HD2      ASN  89  -4.977  13.783  -5.745
  459    H    THR  90           H        THR  90  -0.738   9.683  -3.086
  460    HA   THR  90           HA       THR  90   0.553  12.306  -3.339
  461    HB   THR  90           HB       THR  90   1.483  11.804  -1.162
  462    HG1  THR  90           HG1      THR  90  -0.757  10.828  -0.172
  463   1HG2  THR  90          1HG2      THR  90  -0.323  13.075  -0.124
  464   2HG2  THR  90          2HG2      THR  90  -1.343  12.769  -1.530
  465   3HG2  THR  90          3HG2      THR  90   0.121  13.739  -1.696
  466    H    MET  91           H        MET  91   2.799  12.243  -3.306
  467    HA   MET  91           HA       MET  91   3.953   9.541  -3.276
  468   1HB   MET  91          1HB       MET  91   5.665  10.285  -4.863
  469   2HB   MET  91          2HB       MET  91   4.053  10.406  -5.543
  470   1HG   MET  91          1HG       MET  91   4.067  12.819  -5.103
  471   2HG   MET  91          2HG       MET  91   5.706  12.675  -4.464
  472   1HE   MET  91          1HE       MET  91   6.791  10.375  -6.529
  473   2HE   MET  91          2HE       MET  91   7.756  11.735  -5.957
  474   3HE   MET  91          3HE       MET  91   7.629  11.410  -7.687
  475    H    PHE  92           H        PHE  92   5.152   9.204  -1.636
  476    HA   PHE  92           HA       PHE  92   6.576  11.448  -0.376
  477   1HB   PHE  92          1HB       PHE  92   4.737  10.676   1.047
  478   2HB   PHE  92          2HB       PHE  92   5.319   9.020   0.938
  479    HD1  PHE  92           HD1      PHE  92   6.172  12.391   2.205
  480    HD2  PHE  92           HD2      PHE  92   6.928   8.209   2.434
  481    HE1  PHE  92           HE1      PHE  92   7.549  12.752   4.211
  482    HE2  PHE  92           HE2      PHE  92   8.301   8.563   4.443
  483    HZ   PHE  92           HZ       PHE  92   8.609  10.820   5.341
  484    H    GLU  93           H        GLU  93   8.705  11.241  -0.436
  485    HA   GLU  93           HA       GLU  93   9.802   8.640  -1.173
  486   1HB   GLU  93          1HB       GLU  93  11.077  11.388  -1.044
  487   2HB   GLU  93          2HB       GLU  93  11.911   9.923  -1.552
  488   1HG   GLU  93          1HG       GLU  93  10.438   9.683  -3.437
  489   2HG   GLU  93          2HG       GLU  93   9.461  11.045  -2.892
  490    H    TYR  94           H        TYR  94  11.012   7.426   0.161
  491    HA   TYR  94           HA       TYR  94  11.103   8.369   2.947
  492   1HB   TYR  94          1HB       TYR  94   9.591   6.443   2.435
  493   2HB   TYR  94          2HB       TYR  94  11.001   5.517   1.936
  494    HD1  TYR  94           HD1      TYR  94  12.172   4.249   3.504
  495    HD2  TYR  94           HD2      TYR  94   9.586   7.350   4.852
  496    HE1  TYR  94           HE1      TYR  94  12.509   3.515   5.827
  497    HE2  TYR  94           HE2      TYR  94   9.916   6.622   7.176
  498    HH   TYR  94           HH       TYR  94  12.369   4.425   8.078
  499    H    THR  95           H        THR  95  13.001   8.657   3.843
  500    HA   THR  95           HA       THR  95  15.377   7.939   2.385
  501    HB   THR  95           HB       THR  95  15.068   9.964   3.415
  502    HG1  THR  95           HG1      THR  95  17.256   8.925   4.752
  503   1HG2  THR  95          1HG2      THR  95  13.915   9.357   5.435
  504   2HG2  THR  95          2HG2      THR  95  15.449  10.126   5.845
  505   3HG2  THR  95          3HG2      THR  95  15.282   8.374   5.963
  506    H    PHE  96           H        PHE  96  17.119   6.780   3.209
  507    HA   PHE  96           HA       PHE  96  16.334   4.329   4.442
  508   1HB   PHE  96          1HB       PHE  96  18.992   4.066   4.280
  509   2HB   PHE  96          2HB       PHE  96  17.940   3.884   2.879
  510    HD1  PHE  96           HD1      PHE  96  20.242   6.198   4.612
  511    HD2  PHE  96           HD2      PHE  96  18.016   5.402   1.076
  512    HE1  PHE  96           HE1      PHE  96  21.442   8.004   3.453
  513    HE2  PHE  96           HE2      PHE  96  19.204   7.207  -0.089
  514    HZ   PHE  96           HZ       PHE  96  20.926   8.512   1.100
  515    H    ASP  97           H        ASP  97  16.088   4.103   6.567
  516    HA   ASP  97           HA       ASP  97  17.380   5.749   8.509
  517   1HB   ASP  97          1HB       ASP  97  16.073   3.045   8.927
  518   2HB   ASP  97          2HB       ASP  97  16.411   4.246  10.167
  519    H    TYR  98           H        TYR  98  17.904   2.526   7.242
  520    HA   TYR  98           HA       TYR  98  20.233   2.112   8.936
  521   1HB   TYR  98          1HB       TYR  98  20.190  -0.172   7.714
  522   2HB   TYR  98          2HB       TYR  98  18.927   0.176   8.889
  523    HD1  TYR  98           HD1      TYR  98  19.698  -0.224   5.325
  524    HD2  TYR  98           HD2      TYR  98  16.624   0.497   8.177
  525    HE1  TYR  98           HE1      TYR  98  18.007  -0.697   3.608
  526    HE2  TYR  98           HE2      TYR  98  14.922   0.028   6.464
  527    HH   TYR  98           HH       TYR  98  15.683  -1.391   3.446
  528    H    GLN  99           H        GLN  99  22.300   1.746   8.164
  529    HA   GLN  99           HA       GLN  99  22.813   2.898   5.514
  530   1HB   GLN  99          1HB       GLN  99  23.935   3.776   7.614
  531   2HB   GLN  99          2HB       GLN  99  24.832   2.266   7.671
  532   1HG   GLN  99          1HG       GLN  99  25.873   2.745   5.555
  533   2HG   GLN  99          2HG       GLN  99  24.882   4.190   5.356
  534   1HE2  GLN  99          1HE2      GLN  99  27.794   3.909   5.426
  535   2HE2  GLN  99          2HE2      GLN  99  28.332   4.928   6.714
  536    H    MET 100           H        MET 100  21.864   0.120   6.062
  537    HA   MET 100           HA       MET 100  23.844  -1.760   5.436
  538   1HB   MET 100          1HB       MET 100  21.656  -2.497   6.124
  539   2HB   MET 100          2HB       MET 100  20.896  -1.680   4.767
  540   1HG   MET 100          1HG       MET 100  22.199  -3.224   3.260
  541   2HG   MET 100          2HG       MET 100  22.631  -4.130   4.708
  542   1HE   MET 100          1HE       MET 100  21.125  -5.312   2.110
  543   2HE   MET 100          2HE       MET 100  19.939  -6.362   2.883
  544   3HE   MET 100          3HE       MET 100  21.589  -6.301   3.498
  545    H    THR 101           H        THR 101  21.487  -0.275   3.242
  546    HA   THR 101           HA       THR 101  23.508  -0.015   1.180
  547    HB   THR 101           HB       THR 101  22.587  -2.099   0.946
  548    HG1  THR 101           HG1      THR 101  23.180  -1.312  -0.972
  549   1HG2  THR 101          1HG2      THR 101  20.389  -1.758   1.897
  550   2HG2  THR 101          2HG2      THR 101  20.270  -2.369   0.246
  551   3HG2  THR 101          3HG2      THR 101  19.971  -0.663   0.580
  552    HA   PRO 102           HA       PRO 102  21.339   3.817   0.485
  553   1HB   PRO 102          1HB       PRO 102  21.809   3.339  -2.414
  554   2HB   PRO 102          2HB       PRO 102  22.230   4.738  -1.419
  555   1HG   PRO 102          1HG       PRO 102  24.108   3.020  -2.197
  556   2HG   PRO 102          2HG       PRO 102  24.140   3.726  -0.569
  557   1HD   PRO 102          1HD       PRO 102  23.275   0.994  -1.436
  558   2HD   PRO 102          2HD       PRO 102  24.190   1.483   0.006
  559    H    THR 103           H        THR 103  19.286   2.973   1.078
  560    HA   THR 103           HA       THR 103  17.613   2.022  -1.144
  561    HB   THR 103           HB       THR 103  16.985   2.120   1.653
  562    HG1  THR 103           HG1      THR 103  19.002   0.942   1.095
  563   1HG2  THR 103          1HG2      THR 103  15.495   0.298   0.999
  564   2HG2  THR 103          2HG2      THR 103  16.017   0.469  -0.678
  565   3HG2  THR 103          3HG2      THR 103  15.133   1.776   0.109
  566    H    LYS 104           H        LYS 104  17.035   3.928  -2.093
  567    HA   LYS 104           HA       LYS 104  15.504   5.815  -0.440
  568   1HB   LYS 104          1HB       LYS 104  17.359   6.904  -1.556
  569   2HB   LYS 104          2HB       LYS 104  16.888   6.207  -3.099
  570   1HG   LYS 104          1HG       LYS 104  14.750   7.483  -2.939
  571   2HG   LYS 104          2HG       LYS 104  15.409   8.293  -1.516
  572   1HD   LYS 104          1HD       LYS 104  17.151   9.291  -2.776
  573   2HD   LYS 104          2HD       LYS 104  16.820   8.269  -4.176
  574   1HE   LYS 104          1HE       LYS 104  15.957  10.470  -4.595
  575   2HE   LYS 104          2HE       LYS 104  14.608   9.355  -4.392
  576   1HZ   LYS 104          1HZ       LYS 104  13.941  11.099  -3.111
  577   2HZ   LYS 104          2HZ       LYS 104  15.511  11.527  -2.639
  578   3HZ   LYS 104          3HZ       LYS 104  14.753  10.185  -1.930
  579    H    VAL 105           H        VAL 105  13.459   5.108  -0.502
  580    HA   VAL 105           HA       VAL 105  12.383   4.262  -3.085
  581    HB   VAL 105           HB       VAL 105  10.633   3.368  -1.912
  582   1HG1  VAL 105          1HG1      VAL 105  11.968   1.471  -1.066
  583   2HG1  VAL 105          2HG1      VAL 105  13.420   2.461  -1.213
  584   3HG1  VAL 105          3HG1      VAL 105  12.501   2.027  -2.653
  585   1HG2  VAL 105          1HG2      VAL 105  12.281   4.047   0.510
  586   2HG2  VAL 105          2HG2      VAL 105  10.863   2.997   0.485
  587   3HG2  VAL 105          3HG2      VAL 105  10.699   4.711   0.101
  588    H    LYS 106           H        LYS 106  10.185   4.810  -3.557
  589    HA   LYS 106           HA       LYS 106   9.169   7.166  -2.153
  590   1HB   LYS 106          1HB       LYS 106   8.689   8.337  -4.231
  591   2HB   LYS 106          2HB       LYS 106  10.409   7.998  -4.128
  592   1HG   LYS 106          1HG       LYS 106  10.174   6.159  -5.686
  593   2HG   LYS 106          2HG       LYS 106   8.427   6.396  -5.737
  594   1HD   LYS 106          1HD       LYS 106   9.336   7.414  -7.687
  595   2HD   LYS 106          2HD       LYS 106   8.865   8.715  -6.592
  596   1HE   LYS 106          1HE       LYS 106  11.209   8.875  -5.836
  597   2HE   LYS 106          2HE       LYS 106  11.649   7.638  -7.012
  598   1HZ   LYS 106          1HZ       LYS 106  12.129   9.633  -8.066
  599   2HZ   LYS 106          2HZ       LYS 106  10.728  10.401  -7.503
  600   3HZ   LYS 106          3HZ       LYS 106  10.616   9.214  -8.711
  601    H    VAL 107           H        VAL 107   7.095   6.925  -1.673
  602    HA   VAL 107           HA       VAL 107   5.633   4.794  -3.061
  603    HB   VAL 107           HB       VAL 107   3.827   5.547  -1.592
  604   1HG1  VAL 107          1HG1      VAL 107   4.712   3.941   0.072
  605   2HG1  VAL 107          2HG1      VAL 107   6.301   4.042  -0.685
  606   3HG1  VAL 107          3HG1      VAL 107   4.941   3.369  -1.582
  607   1HG2  VAL 107          1HG2      VAL 107   6.217   6.488  -0.021
  608   2HG2  VAL 107          2HG2      VAL 107   4.546   6.384   0.531
  609   3HG2  VAL 107          3HG2      VAL 107   4.990   7.536  -0.729
  610    H    HIS 108           H        HIS 108   3.888   5.106  -4.312
  611    HA   HIS 108           HA       HIS 108   2.690   7.775  -4.162
  612   1HB   HIS 108          1HB       HIS 108   3.981   7.445  -6.326
  613   2HB   HIS 108          2HB       HIS 108   2.835   6.169  -6.725
  614    HD1  HIS 108           HD1      HIS 108   1.918   7.463  -8.771
  615    HD2  HIS 108           HD2      HIS 108   1.521   9.505  -5.172
  616    HE1  HIS 108           HE1      HIS 108   0.375   9.386  -9.251
  617    HE2  HIS 108           HE2      HIS 108   0.340  10.736  -7.120
  618    H    MET 109           H        MET 109   1.031   7.315  -2.967
  619    HA   MET 109           HA       MET 109  -0.577   4.956  -3.608
  620   1HB   MET 109          1HB       MET 109  -1.724   5.568  -1.385
  621   2HB   MET 109          2HB       MET 109  -0.109   4.888  -1.308
  622   1HG   MET 109          1HG       MET 109   0.790   7.185  -1.061
  623   2HG   MET 109          2HG       MET 109  -0.870   7.782  -1.006
  624   1HE   MET 109          1HE       MET 109   1.812   5.505   0.789
  625   2HE   MET 109          2HE       MET 109   0.466   4.412   0.474
  626   3HE   MET 109          3HE       MET 109   0.863   4.866   2.131
  627    H    LYS 110           H        LYS 110  -2.555   5.216  -4.535
  628    HA   LYS 110           HA       LYS 110  -3.392   7.985  -4.949
  629   1HB   LYS 110          1HB       LYS 110  -3.477   7.577  -7.422
  630   2HB   LYS 110          2HB       LYS 110  -1.854   7.653  -6.753
  631   1HG   LYS 110          1HG       LYS 110  -1.737   5.202  -6.764
  632   2HG   LYS 110          2HG       LYS 110  -3.358   5.137  -7.456
  633   1HD   LYS 110          1HD       LYS 110  -0.964   6.448  -8.740
  634   2HD   LYS 110          2HD       LYS 110  -1.591   4.849  -9.145
  635   1HE   LYS 110          1HE       LYS 110  -3.735   5.888  -9.783
  636   2HE   LYS 110          2HE       LYS 110  -3.042   7.476  -9.448
  637   1HZ   LYS 110          1HZ       LYS 110  -2.180   5.543 -11.528
  638   2HZ   LYS 110          2HZ       LYS 110  -1.313   6.939 -11.127
  639   3HZ   LYS 110          3HZ       LYS 110  -2.874   7.073 -11.775
  640    H    LYS 111           H        LYS 111  -5.495   8.200  -4.951
  641    HA   LYS 111           HA       LYS 111  -7.310   6.214  -4.532
  642   1HB   LYS 111          1HB       LYS 111  -7.689   8.525  -4.104
  643   2HB   LYS 111          2HB       LYS 111  -7.527   8.924  -5.804
  644   1HG   LYS 111          1HG       LYS 111  -9.588   7.674  -6.282
  645   2HG   LYS 111          2HG       LYS 111  -9.758   7.327  -4.557
  646   1HD   LYS 111          1HD       LYS 111  -9.934   9.682  -4.060
  647   2HD   LYS 111          2HD       LYS 111  -9.636  10.091  -5.751
  648   1HE   LYS 111          1HE       LYS 111 -12.019  10.232  -5.186
  649   2HE   LYS 111          2HE       LYS 111 -11.709   8.985  -6.391
  650   1HZ   LYS 111          1HZ       LYS 111 -13.257   8.237  -4.677
  651   2HZ   LYS 111          2HZ       LYS 111 -12.080   8.495  -3.489
  652   3HZ   LYS 111          3HZ       LYS 111 -11.837   7.311  -4.672
  653    H    ALA 112           H        ALA 112  -7.867   4.588  -5.718
  654    HA   ALA 112           HA       ALA 112  -7.176   4.171  -8.387
  655   1HB   ALA 112          1HB       ALA 112  -8.592   2.190  -8.253
  656   2HB   ALA 112          2HB       ALA 112  -9.314   2.795  -6.761
  657   3HB   ALA 112          3HB       ALA 112  -7.605   2.362  -6.803
  658    H    LEU 113           H        LEU 113  -8.464   4.147 -10.280
  659    HA   LEU 113           HA       LEU 113 -10.301   6.315 -10.448
  660   1HB   LEU 113          1HB       LEU 113  -9.459   4.217 -12.441
  661   2HB   LEU 113          2HB       LEU 113 -10.608   5.483 -12.824
  662    HG   LEU 113           HG       LEU 113  -8.517   6.165 -13.693
  663   1HD1  LEU 113          1HD1      LEU 113  -8.049   8.223 -12.462
  664   2HD1  LEU 113          2HD1      LEU 113  -8.989   7.617 -11.098
  665   3HD1  LEU 113          3HD1      LEU 113  -9.780   7.940 -12.642
  666   1HD2  LEU 113          1HD2      LEU 113  -7.058   4.681 -12.436
  667   2HD2  LEU 113          2HD2      LEU 113  -7.315   5.640 -10.979
  668   3HD2  LEU 113          3HD2      LEU 113  -6.478   6.344 -12.363
  669    H    SER 114           H        SER 114 -10.757   3.247  -9.327
  670    HA   SER 114           HA       SER 114 -13.386   2.804 -10.429
  671   1HB   SER 114          1HB       SER 114 -13.297   0.911  -8.634
  672   2HB   SER 114          2HB       SER 114 -12.258   0.803 -10.056
  673    HG   SER 114           HG       SER 114 -11.436   0.617  -7.659
  674    H    GLY 115           H        GLY 115 -12.046   4.480  -7.733
  675   1HA   GLY 115          1HA       GLY 115 -13.781   6.091  -6.859
  676   2HA   GLY 115          2HA       GLY 115 -14.750   4.661  -6.548
  677    H    ASP 116           H        ASP 116 -14.578   3.693  -4.613
  678    HA   ASP 116           HA       ASP 116 -12.838   4.987  -2.697
  679   1HB   ASP 116          1HB       ASP 116 -14.101   3.814  -0.979
  680   2HB   ASP 116          2HB       ASP 116 -15.184   4.632  -2.093
  681    H    SER 117           H        SER 117 -11.026   4.058  -3.928
  682    HA   SER 117           HA       SER 117  -9.887   1.976  -2.332
  683   1HB   SER 117          1HB       SER 117  -9.112   0.782  -4.497
  684   2HB   SER 117          2HB       SER 117 -10.703   0.424  -3.836
  685    HG   SER 117           HG       SER 117 -11.560   1.942  -5.335
  686    H    TYR 118           H        TYR 118  -7.580   1.870  -2.642
  687    HA   TYR 118           HA       TYR 118  -6.457   4.145  -4.112
  688   1HB   TYR 118          1HB       TYR 118  -5.850   3.679  -1.178
  689   2HB   TYR 118          2HB       TYR 118  -5.258   4.996  -2.195
  690    HD1  TYR 118           HD1      TYR 118  -7.969   3.772  -0.164
  691    HD2  TYR 118           HD2      TYR 118  -6.798   6.761  -2.929
  692    HE1  TYR 118           HE1      TYR 118  -9.870   5.161   0.556
  693    HE2  TYR 118           HE2      TYR 118  -8.700   8.173  -2.226
  694    HH   TYR 118           HH       TYR 118 -10.926   7.885  -1.134
  695    H    TRP 119           H        TRP 119  -4.449   3.750  -4.941
  696    HA   TRP 119           HA       TRP 119  -3.467   1.039  -4.669
  697   1HB   TRP 119          1HB       TRP 119  -2.607   3.383  -6.364
  698   2HB   TRP 119          2HB       TRP 119  -1.827   1.792  -6.406
  699    HD1  TRP 119           HD1      TRP 119  -5.417   3.233  -7.001
  700    HE1  TRP 119           HE1      TRP 119  -6.421   1.929  -9.001
  701    HE3  TRP 119           HE3      TRP 119  -1.561   0.021  -7.901
  702    HZ2  TRP 119           HZ2      TRP 119  -5.653  -0.177 -10.723
  703    HZ3  TRP 119           HZ3      TRP 119  -1.751  -1.582  -9.710
  704    HH2  TRP 119           HH2      TRP 119  -3.755  -1.696 -11.114
  705    H    VAL 120           H        VAL 120  -1.221   0.652  -4.341
  706    HA   VAL 120           HA       VAL 120   0.339   2.748  -3.011
  707    HB   VAL 120           HB       VAL 120   0.021   0.025  -2.127
  708   1HG1  VAL 120          1HG1      VAL 120   1.616   2.345  -1.035
  709   2HG1  VAL 120          2HG1      VAL 120   2.279   0.901  -1.802
  710   3HG1  VAL 120          3HG1      VAL 120   1.430   0.769  -0.262
  711   1HG2  VAL 120          1HG2      VAL 120  -0.981   1.020  -0.134
  712   2HG2  VAL 120          2HG2      VAL 120  -1.948   1.310  -1.578
  713   3HG2  VAL 120          3HG2      VAL 120  -0.945   2.601  -0.917
  714    H    PHE 121           H        PHE 121   1.704   2.852  -4.832
  715    HA   PHE 121           HA       PHE 121   3.275   0.404  -5.197
  716   1HB   PHE 121          1HB       PHE 121   3.530   0.827  -7.470
  717   2HB   PHE 121          2HB       PHE 121   1.854   1.206  -7.121
  718    HD1  PHE 121           HD1      PHE 121   0.952   3.303  -7.565
  719    HD2  PHE 121           HD2      PHE 121   5.152   2.695  -7.853
  720    HE1  PHE 121           HE1      PHE 121   1.175   5.455  -8.730
  721    HE2  PHE 121           HE2      PHE 121   5.390   4.856  -9.010
  722    HZ   PHE 121           HZ       PHE 121   3.402   6.235  -9.457
  723    H    VAL 122           H        VAL 122   5.472   0.542  -5.239
  724    HA   VAL 122           HA       VAL 122   6.595   3.104  -4.323
  725    HB   VAL 122           HB       VAL 122   6.226   1.565  -2.642
  726   1HG1  VAL 122          1HG1      VAL 122   7.707  -0.397  -2.490
  727   2HG1  VAL 122          2HG1      VAL 122   8.204  -0.121  -4.160
  728   3HG1  VAL 122          3HG1      VAL 122   6.526  -0.522  -3.794
  729   1HG2  VAL 122          1HG2      VAL 122   8.462   1.739  -1.682
  730   2HG2  VAL 122          2HG2      VAL 122   7.923   3.248  -2.420
  731   3HG2  VAL 122          3HG2      VAL 122   9.088   2.223  -3.258
  732    H    LYS 123           H        LYS 123   8.805   3.465  -4.836
  733    HA   LYS 123           HA       LYS 123  10.009   1.658  -6.777
  734   1HB   LYS 123          1HB       LYS 123   8.569   3.850  -7.633
  735   2HB   LYS 123          2HB       LYS 123  10.217   4.464  -7.586
  736   1HG   LYS 123          1HG       LYS 123   9.656   3.594  -9.788
  737   2HG   LYS 123          2HG       LYS 123  10.945   2.644  -9.041
  738   1HD   LYS 123          1HD       LYS 123   9.306   0.956  -8.369
  739   2HD   LYS 123          2HD       LYS 123   8.017   1.907  -9.108
  740   1HE   LYS 123          1HE       LYS 123   9.048   1.643 -11.289
  741   2HE   LYS 123          2HE       LYS 123  10.384   0.744 -10.571
  742   1HZ   LYS 123          1HZ       LYS 123   8.825  -0.969  -9.891
  743   2HZ   LYS 123          2HZ       LYS 123   8.742  -0.722 -11.566
  744   3HZ   LYS 123          3HZ       LYS 123   7.532  -0.100 -10.564
  745    H    ARG 124           H        ARG 124  12.240   1.721  -6.779
  746    HA   ARG 124           HA       ARG 124  13.399   3.398  -4.661
  747   1HB   ARG 124          1HB       ARG 124  15.254   1.748  -4.611
  748   2HB   ARG 124          2HB       ARG 124  13.692   1.054  -4.201
  749   1HG   ARG 124          1HG       ARG 124  13.778  -0.387  -5.889
  750   2HG   ARG 124          2HG       ARG 124  14.273   0.858  -7.037
  751   1HD   ARG 124          1HD       ARG 124  16.115  -0.491  -5.068
  752   2HD   ARG 124          2HD       ARG 124  15.935  -0.963  -6.757
  753    HE   ARG 124           HE       ARG 124  16.540   1.773  -6.647
  754   1HH1  ARG 124          1HH1      ARG 124  18.055  -1.323  -6.007
  755   2HH1  ARG 124          2HH1      ARG 124  19.662  -0.746  -6.367
  756   1HH2  ARG 124          1HH2      ARG 124  18.626   2.539  -7.118
  757   2HH2  ARG 124          2HH2      ARG 124  19.980   1.444  -7.015
  758    H    VAL 125           H        VAL 125  15.057   4.731  -5.039
  759    HA   VAL 125           HA       VAL 125  15.863   5.095  -7.837
  760    HB   VAL 125           HB       VAL 125  16.353   6.754  -5.540
  761   1HG1  VAL 125          1HG1      VAL 125  17.874   7.084  -7.422
  762   2HG1  VAL 125          2HG1      VAL 125  16.754   8.436  -7.269
  763   3HG1  VAL 125          3HG1      VAL 125  16.499   7.218  -8.518
  764   1HG2  VAL 125          1HG2      VAL 125  14.488   8.087  -6.377
  765   2HG2  VAL 125          2HG2      VAL 125  13.969   6.490  -5.840
  766   3HG2  VAL 125          3HG2      VAL 125  14.129   6.832  -7.563
  767    H2   HC4 169           H2       HC4 169  -9.420  -5.943  15.400
  768    H3   HC4 169           H3       HC4 169 -10.898  -7.127  14.352
  769    H2'  HC4 169           H2'      HC4 169 -12.363  -8.962  13.842
  770    H3'  HC4 169           H3'      HC4 169 -13.507 -11.062  14.374
  771    H5'  HC4 169           H5'      HC4 169 -11.460 -11.218  18.106
  772    H6'  HC4 169           H6'      HC4 169 -10.338  -9.106  17.568
  773   'HO4  HC4 169          'HO4      HC4 169 -13.552 -12.411  17.463
  Start of MODEL   12
    1    H    LEU  26           H        LEU  26  15.913   0.527  -9.314
    2    HA   LEU  26           HA       LEU  26  13.666   0.603  -8.333
    3   1HB   LEU  26          1HB       LEU  26  14.269   1.283 -10.687
    4   2HB   LEU  26          2HB       LEU  26  13.749  -0.299 -11.219
    5    HG   LEU  26           HG       LEU  26  12.129   1.636 -11.548
    6   1HD1  LEU  26          1HD1      LEU  26  11.173  -0.774 -10.017
    7   2HD1  LEU  26          2HD1      LEU  26  11.430  -0.680 -11.759
    8   3HD1  LEU  26          3HD1      LEU  26  10.168   0.291 -10.999
    9   1HD2  LEU  26          1HD2      LEU  26  10.749   2.255  -9.642
   10   2HD2  LEU  26          2HD2      LEU  26  12.436   2.679  -9.359
   11   3HD2  LEU  26          3HD2      LEU  26  11.741   1.256  -8.583
   12    H    ALA  27           H        ALA  27  12.268  -0.617  -7.265
   13    HA   ALA  27           HA       ALA  27  11.844  -3.389  -8.162
   14   1HB   ALA  27          1HB       ALA  27  11.272  -2.172  -5.457
   15   2HB   ALA  27          2HB       ALA  27  12.663  -3.180  -5.859
   16   3HB   ALA  27          3HB       ALA  27  11.037  -3.862  -5.908
   17    H    PHE  28           H        PHE  28   9.764  -4.126  -8.543
   18    HA   PHE  28           HA       PHE  28   7.836  -2.068  -9.168
   19   1HB   PHE  28          1HB       PHE  28   7.794  -5.059  -9.587
   20   2HB   PHE  28          2HB       PHE  28   6.479  -3.989 -10.059
   21    HD1  PHE  28           HD1      PHE  28   6.790  -2.369 -11.877
   22    HD2  PHE  28           HD2      PHE  28   9.820  -5.170 -10.838
   23    HE1  PHE  28           HE1      PHE  28   7.910  -1.952 -14.030
   24    HE2  PHE  28           HE2      PHE  28  10.945  -4.756 -12.984
   25    HZ   PHE  28           HZ       PHE  28   9.976  -3.131 -14.588
   26    H    GLY  29           H        GLY  29   7.447  -1.396  -6.978
   27   1HA   GLY  29          1HA       GLY  29   5.962  -3.213  -5.260
   28   2HA   GLY  29          2HA       GLY  29   6.420  -1.553  -4.892
   29    H    ALA  30           H        ALA  30   4.448  -3.155  -7.400
   30    HA   ALA  30           HA       ALA  30   2.569  -0.916  -7.101
   31   1HB   ALA  30          1HB       ALA  30   3.508  -1.272  -9.342
   32   2HB   ALA  30          2HB       ALA  30   1.759  -1.493  -9.321
   33   3HB   ALA  30          3HB       ALA  30   2.823  -2.898  -9.370
   34    H    ILE  31           H        ILE  31   1.150  -1.465  -5.554
   35    HA   ILE  31           HA       ILE  31  -0.557  -3.775  -6.102
   36    HB   ILE  31           HB       ILE  31   0.837  -4.453  -4.554
   37   1HG1  ILE  31          1HG1      ILE  31  -1.868  -3.793  -3.476
   38   2HG1  ILE  31          2HG1      ILE  31  -1.349  -5.241  -4.333
   39   1HG2  ILE  31          1HG2      ILE  31   1.676  -2.358  -3.671
   40   2HG2  ILE  31          2HG2      ILE  31   1.065  -3.370  -2.361
   41   3HG2  ILE  31          3HG2      ILE  31   0.101  -2.017  -2.953
   42   1HD1  ILE  31          1HD1      ILE  31  -1.597  -5.644  -1.940
   43   2HD1  ILE  31          2HD1      ILE  31  -0.386  -4.403  -1.613
   44   3HD1  ILE  31          3HD1      ILE  31   0.068  -5.871  -2.476
   45    H    GLN  32           H        GLN  32  -2.703  -3.485  -5.597
   46    HA   GLN  32           HA       GLN  32  -3.360  -0.744  -4.737
   47   1HB   GLN  32          1HB       GLN  32  -4.968  -0.474  -6.377
   48   2HB   GLN  32          2HB       GLN  32  -3.695  -1.328  -7.227
   49   1HG   GLN  32          1HG       GLN  32  -5.347  -2.627  -7.954
   50   2HG   GLN  32          2HG       GLN  32  -5.239  -3.390  -6.365
   51   1HE2  GLN  32          1HE2      GLN  32  -7.549  -3.134  -8.125
   52   2HE2  GLN  32          2HE2      GLN  32  -8.747  -2.279  -7.217
   53    H    LEU  33           H        LEU  33  -5.024  -0.438  -3.369
   54    HA   LEU  33           HA       LEU  33  -6.451  -2.822  -2.416
   55   1HB   LEU  33          1HB       LEU  33  -6.082  -2.059  -0.075
   56   2HB   LEU  33          2HB       LEU  33  -4.656  -2.651  -0.893
   57    HG   LEU  33           HG       LEU  33  -4.126  -0.162  -1.343
   58   1HD1  LEU  33          1HD1      LEU  33  -6.031   0.130   0.972
   59   2HD1  LEU  33          2HD1      LEU  33  -6.298   0.736  -0.662
   60   3HD1  LEU  33          3HD1      LEU  33  -4.986   1.391   0.318
   61   1HD2  LEU  33          1HD2      LEU  33  -2.862  -1.631   0.151
   62   2HD2  LEU  33          2HD2      LEU  33  -3.990  -1.259   1.455
   63   3HD2  LEU  33          3HD2      LEU  33  -2.972   0.014   0.781
   64    H    ASP  34           H        ASP  34  -8.279  -2.307  -1.041
   65    HA   ASP  34           HA       ASP  34  -9.736  -0.087  -2.222
   66   1HB   ASP  34          1HB       ASP  34 -11.705  -0.970  -1.022
   67   2HB   ASP  34          2HB       ASP  34 -10.931  -2.188  -2.023
   68    H    GLY  35           H        GLY  35 -10.958   1.412  -0.975
   69   1HA   GLY  35          1HA       GLY  35  -9.350   2.680   1.019
   70   2HA   GLY  35          2HA       GLY  35 -10.939   3.200   0.476
   71    H    ASP  36           H        ASP  36 -11.191   0.044   1.283
   72    HA   ASP  36           HA       ASP  36 -12.552   0.625   3.771
   73   1HB   ASP  36          1HB       ASP  36 -13.382  -0.954   1.963
   74   2HB   ASP  36          2HB       ASP  36 -12.081  -2.043   2.426
   75    H    GLY  37           H        GLY  37  -9.776  -1.189   2.584
   76   1HA   GLY  37          1HA       GLY  37  -7.784  -0.918   4.138
   77   2HA   GLY  37          2HA       GLY  37  -8.860  -1.568   5.368
   78    H    ASN  38           H        ASN  38  -8.954  -2.720   2.070
   79    HA   ASN  38           HA       ASN  38  -7.473  -5.146   2.861
   80   1HB   ASN  38          1HB       ASN  38 -10.030  -5.206   1.249
   81   2HB   ASN  38          2HB       ASN  38  -9.126  -6.582   1.873
   82   1HD2  ASN  38          1HD2      ASN  38 -11.402  -4.105   2.553
   83   2HD2  ASN  38          2HD2      ASN  38 -11.838  -4.636   4.141
   84    H    ILE  39           H        ILE  39  -6.439  -6.233   1.164
   85    HA   ILE  39           HA       ILE  39  -5.656  -4.576  -1.016
   86    HB   ILE  39           HB       ILE  39  -5.309  -7.380  -0.496
   87   1HG1  ILE  39          1HG1      ILE  39  -4.691  -5.785   1.323
   88   2HG1  ILE  39          2HG1      ILE  39  -3.404  -6.792   0.709
   89   1HG2  ILE  39          1HG2      ILE  39  -3.791  -5.402  -2.189
   90   2HG2  ILE  39          2HG2      ILE  39  -4.782  -6.728  -2.797
   91   3HG2  ILE  39          3HG2      ILE  39  -3.312  -7.070  -1.880
   92   1HD1  ILE  39          1HD1      ILE  39  -3.883  -3.895   0.048
   93   2HD1  ILE  39          2HD1      ILE  39  -2.596  -4.891  -0.630
   94   3HD1  ILE  39          3HD1      ILE  39  -2.619  -4.536   1.097
   95    H    LEU  40           H        LEU  40  -6.148  -4.799  -3.179
   96    HA   LEU  40           HA       LEU  40  -8.427  -6.576  -3.791
   97   1HB   LEU  40          1HB       LEU  40  -7.654  -3.978  -5.122
   98   2HB   LEU  40          2HB       LEU  40  -9.007  -4.994  -5.581
   99    HG   LEU  40           HG       LEU  40  -8.697  -3.531  -2.968
  100   1HD1  LEU  40          1HD1      LEU  40  -9.190  -2.052  -4.834
  101   2HD1  LEU  40          2HD1      LEU  40 -10.596  -2.208  -3.779
  102   3HD1  LEU  40          3HD1      LEU  40 -10.539  -3.081  -5.312
  103   1HD2  LEU  40          1HD2      LEU  40 -10.967  -5.230  -3.996
  104   2HD2  LEU  40          2HD2      LEU  40 -10.986  -4.271  -2.516
  105   3HD2  LEU  40          3HD2      LEU  40  -9.883  -5.639  -2.667
  106    H    GLN  41           H        GLN  41  -5.535  -5.089  -5.228
  107    HA   GLN  41           HA       GLN  41  -5.175  -7.487  -6.865
  108   1HB   GLN  41          1HB       GLN  41  -6.530  -5.766  -8.134
  109   2HB   GLN  41          2HB       GLN  41  -5.125  -4.716  -8.073
  110   1HG   GLN  41          1HG       GLN  41  -4.921  -7.460  -9.243
  111   2HG   GLN  41          2HG       GLN  41  -5.580  -6.125 -10.184
  112   1HE2  GLN  41          1HE2      GLN  41  -3.167  -7.697 -10.596
  113   2HE2  GLN  41          2HE2      GLN  41  -1.858  -6.568 -10.623
  114    H    TYR  42           H        TYR  42  -3.080  -8.017  -7.176
  115    HA   TYR  42           HA       TYR  42  -1.036  -6.072  -6.365
  116   1HB   TYR  42          1HB       TYR  42  -1.346  -7.563  -4.481
  117   2HB   TYR  42          2HB       TYR  42  -1.232  -8.972  -5.527
  118    HD1  TYR  42           HD1      TYR  42   0.759 -10.106  -5.564
  119    HD2  TYR  42           HD2      TYR  42   0.795  -5.960  -4.618
  120    HE1  TYR  42           HE1      TYR  42   3.178 -10.229  -5.161
  121    HE2  TYR  42           HE2      TYR  42   3.223  -6.071  -4.212
  122    HH   TYR  42           HH       TYR  42   5.084  -8.918  -5.002
  123    H    ASN  43           H        ASN  43   0.755  -6.017  -7.633
  124    HA   ASN  43           HA       ASN  43   0.727  -7.789  -9.977
  125   1HB   ASN  43          1HB       ASN  43   2.083  -5.105  -9.616
  126   2HB   ASN  43          2HB       ASN  43   2.055  -6.050 -11.099
  127   1HD2  ASN  43          1HD2      ASN  43   0.260  -3.992  -8.980
  128   2HD2  ASN  43          2HD2      ASN  43  -1.108  -3.765 -10.017
  129    H    ALA  44           H        ALA  44   2.536  -8.920 -10.582
  130    HA   ALA  44           HA       ALA  44   4.549  -9.272  -8.499
  131   1HB   ALA  44          1HB       ALA  44   5.211 -11.262  -9.780
  132   2HB   ALA  44          2HB       ALA  44   4.025 -10.849 -11.018
  133   3HB   ALA  44          3HB       ALA  44   3.490 -11.273  -9.393
  134    H    ALA  45           H        ALA  45   6.791  -9.183  -8.935
  135    HA   ALA  45           HA       ALA  45   7.472  -7.228 -10.991
  136   1HB   ALA  45          1HB       ALA  45   9.134  -8.314  -8.717
  137   2HB   ALA  45          2HB       ALA  45   8.226  -6.802  -8.704
  138   3HB   ALA  45          3HB       ALA  45   9.593  -6.998  -9.800
  139    H    GLU  46           H        GLU  46   7.841  -8.131 -12.919
  140    HA   GLU  46           HA       GLU  46   9.292 -10.652 -13.111
  141   1HB   GLU  46          1HB       GLU  46   8.082  -8.897 -15.262
  142   2HB   GLU  46          2HB       GLU  46   8.829 -10.464 -15.540
  143   1HG   GLU  46          1HG       GLU  46   7.112 -11.516 -14.144
  144   2HG   GLU  46          2HG       GLU  46   6.361  -9.938 -13.901
  145    H    GLY  47           H        GLY  47  10.884 -10.599 -15.137
  146   1HA   GLY  47          1HA       GLY  47  12.417  -8.947 -16.275
  147   2HA   GLY  47          2HA       GLY  47  12.722  -8.340 -14.654
  148    H    ASP  48           H        ASP  48  13.261 -10.306 -13.099
  149    HA   ASP  48           HA       ASP  48  15.672 -11.475 -14.222
  150   1HB   ASP  48          1HB       ASP  48  15.536 -10.361 -11.923
  151   2HB   ASP  48          2HB       ASP  48  14.647 -11.786 -11.395
  152    H    ILE  49           H        ILE  49  15.944 -13.612 -14.684
  153    HA   ILE  49           HA       ILE  49  13.488 -15.190 -14.695
  154    HB   ILE  49           HB       ILE  49  16.008 -15.919 -15.850
  155   1HG1  ILE  49          1HG1      ILE  49  15.446 -13.637 -16.577
  156   2HG1  ILE  49          2HG1      ILE  49  15.266 -14.809 -17.876
  157   1HG2  ILE  49          1HG2      ILE  49  14.483 -17.104 -17.385
  158   2HG2  ILE  49          2HG2      ILE  49  13.110 -16.555 -16.424
  159   3HG2  ILE  49          3HG2      ILE  49  14.299 -17.648 -15.718
  160   1HD1  ILE  49          1HD1      ILE  49  13.014 -13.688 -16.227
  161   2HD1  ILE  49          2HD1      ILE  49  12.863 -14.791 -17.597
  162   3HD1  ILE  49          3HD1      ILE  49  13.468 -13.152 -17.844
  163    H    THR  50           H        THR  50  14.641 -14.909 -12.193
  164    HA   THR  50           HA       THR  50  15.023 -17.758 -11.624
  165    HB   THR  50           HB       THR  50  16.327 -17.167  -9.779
  166    HG1  THR  50           HG1      THR  50  16.617 -14.697 -11.197
  167   1HG2  THR  50          1HG2      THR  50  17.445 -16.557 -12.501
  168   2HG2  THR  50          2HG2      THR  50  17.249 -18.162 -11.800
  169   3HG2  THR  50          3HG2      THR  50  18.371 -17.012 -11.072
  170    H    GLY  51           H        GLY  51  12.615 -16.480 -11.591
  171   1HA   GLY  51          1HA       GLY  51  12.000 -16.423  -8.736
  172   2HA   GLY  51          2HA       GLY  51  11.662 -14.959  -9.646
  173    H    ARG  52           H        ARG  52  10.397 -17.796  -8.529
  174    HA   ARG  52           HA       ARG  52   8.164 -17.610 -10.433
  175   1HB   ARG  52          1HB       ARG  52   8.947 -19.835  -8.544
  176   2HB   ARG  52          2HB       ARG  52   7.440 -19.807  -9.448
  177   1HG   ARG  52          1HG       ARG  52  10.160 -19.723 -10.729
  178   2HG   ARG  52          2HG       ARG  52   9.248 -21.206 -10.446
  179   1HD   ARG  52          1HD       ARG  52   8.909 -20.491 -12.722
  180   2HD   ARG  52          2HD       ARG  52   7.405 -20.286 -11.827
  181    HE   ARG  52           HE       ARG  52   9.162 -17.963 -12.114
  182   1HH1  ARG  52          1HH1      ARG  52   6.225 -19.638 -13.042
  183   2HH1  ARG  52          2HH1      ARG  52   5.507 -18.230 -13.760
  184   1HH2  ARG  52          1HH2      ARG  52   8.210 -16.116 -13.039
  185   2HH2  ARG  52          2HH2      ARG  52   6.637 -16.229 -13.770
  186    H    ASP  53           H        ASP  53   6.771 -16.161  -9.723
  187    HA   ASP  53           HA       ASP  53   6.609 -15.352  -7.012
  188   1HB   ASP  53          1HB       ASP  53   4.734 -13.928  -7.799
  189   2HB   ASP  53          2HB       ASP  53   6.176 -13.768  -8.795
  190    HA   PRO  54           HA       PRO  54   3.587 -18.337  -5.681
  191   1HB   PRO  54          1HB       PRO  54   3.322 -17.450  -3.152
  192   2HB   PRO  54          2HB       PRO  54   4.766 -18.314  -3.691
  193   1HG   PRO  54          1HG       PRO  54   4.345 -15.382  -3.299
  194   2HG   PRO  54          2HG       PRO  54   5.761 -16.373  -2.905
  195   1HD   PRO  54          1HD       PRO  54   5.547 -14.792  -5.146
  196   2HD   PRO  54          2HD       PRO  54   6.601 -16.214  -5.026
  197    H    LYS  55           H        LYS  55   3.231 -15.004  -6.040
  198    HA   LYS  55           HA       LYS  55   1.496 -13.627  -6.405
  199   1HB   LYS  55          1HB       LYS  55   0.046 -16.250  -6.686
  200   2HB   LYS  55          2HB       LYS  55  -0.757 -14.699  -6.905
  201   1HG   LYS  55          1HG       LYS  55   0.696 -14.136  -8.720
  202   2HG   LYS  55          2HG       LYS  55   1.668 -15.583  -8.451
  203   1HD   LYS  55          1HD       LYS  55  -0.284 -16.969  -9.021
  204   2HD   LYS  55          2HD       LYS  55  -1.221 -15.501  -9.319
  205   1HE   LYS  55          1HE       LYS  55  -0.326 -16.507 -11.394
  206   2HE   LYS  55          2HE       LYS  55   0.260 -14.868 -11.112
  207   1HZ   LYS  55          1HZ       LYS  55   2.057 -16.314 -11.824
  208   2HZ   LYS  55          2HZ       LYS  55   1.763 -17.368 -10.530
  209   3HZ   LYS  55          3HZ       LYS  55   2.322 -15.789 -10.233
  210    H    GLN  56           H        GLN  56   1.569 -12.604  -4.446
  211    HA   GLN  56           HA       GLN  56   0.062 -13.461  -2.186
  212   1HB   GLN  56          1HB       GLN  56   1.918 -11.819  -2.052
  213   2HB   GLN  56          2HB       GLN  56   0.941 -10.665  -2.947
  214   1HG   GLN  56          1HG       GLN  56   0.886 -10.144  -0.597
  215   2HG   GLN  56          2HG       GLN  56  -0.708 -10.667  -1.135
  216   1HE2  GLN  56          1HE2      GLN  56   2.080 -11.468   0.773
  217   2HE2  GLN  56          2HE2      GLN  56   1.365 -12.782   1.640
  218    H    VAL  57           H        VAL  57  -0.500 -10.957  -4.632
  219    HA   VAL  57           HA       VAL  57  -2.320 -10.095  -5.623
  220    HB   VAL  57           HB       VAL  57  -3.599 -12.464  -4.650
  221   1HG1  VAL  57          1HG1      VAL  57  -5.194 -10.761  -5.329
  222   2HG1  VAL  57          2HG1      VAL  57  -5.103 -12.026  -6.555
  223   3HG1  VAL  57          3HG1      VAL  57  -4.290 -10.483  -6.817
  224   1HG2  VAL  57          1HG2      VAL  57  -3.064 -13.324  -6.873
  225   2HG2  VAL  57          2HG2      VAL  57  -1.614 -12.978  -5.931
  226   3HG2  VAL  57          3HG2      VAL  57  -2.126 -11.866  -7.200
  227    H    ILE  58           H        ILE  58  -3.817 -11.726  -2.822
  228    HA   ILE  58           HA       ILE  58  -4.786  -9.111  -1.914
  229    HB   ILE  58           HB       ILE  58  -6.734 -10.341  -1.198
  230   1HG1  ILE  58          1HG1      ILE  58  -5.724 -12.134  -3.408
  231   2HG1  ILE  58          2HG1      ILE  58  -6.048 -12.594  -1.740
  232   1HG2  ILE  58          1HG2      ILE  58  -7.774  -9.817  -3.383
  233   2HG2  ILE  58          2HG2      ILE  58  -6.160  -9.586  -4.056
  234   3HG2  ILE  58          3HG2      ILE  58  -6.740  -8.525  -2.772
  235   1HD1  ILE  58          1HD1      ILE  58  -8.082 -11.690  -3.757
  236   2HD1  ILE  58          2HD1      ILE  58  -8.419 -12.137  -2.084
  237   3HD1  ILE  58          3HD1      ILE  58  -7.809 -13.346  -3.215
  238    H    GLY  59           H        GLY  59  -2.937  -9.463  -0.575
  239   1HA   GLY  59          1HA       GLY  59  -2.758 -11.594   1.279
  240   2HA   GLY  59          2HA       GLY  59  -1.880 -10.074   1.372
  241    H    LYS  60           H        LYS  60  -4.335  -8.457   1.422
  242    HA   LYS  60           HA       LYS  60  -4.984  -8.955   4.240
  243   1HB   LYS  60          1HB       LYS  60  -3.899  -6.838   3.859
  244   2HB   LYS  60          2HB       LYS  60  -5.025  -6.452   2.562
  245   1HG   LYS  60          1HG       LYS  60  -5.476  -5.217   4.648
  246   2HG   LYS  60          2HG       LYS  60  -6.830  -6.225   4.137
  247   1HD   LYS  60          1HD       LYS  60  -6.219  -7.915   5.770
  248   2HD   LYS  60          2HD       LYS  60  -4.802  -6.973   6.243
  249   1HE   LYS  60          1HE       LYS  60  -6.732  -6.741   7.797
  250   2HE   LYS  60          2HE       LYS  60  -6.179  -5.216   7.107
  251   1HZ   LYS  60          1HZ       LYS  60  -7.994  -5.289   5.531
  252   2HZ   LYS  60          2HZ       LYS  60  -8.599  -5.392   7.111
  253   3HZ   LYS  60          3HZ       LYS  60  -8.515  -6.782   6.142
  254    H    ASN  61           H        ASN  61  -6.843  -9.944   4.514
  255    HA   ASN  61           HA       ASN  61  -9.212  -8.892   3.134
  256   1HB   ASN  61          1HB       ASN  61  -8.460 -11.070   2.057
  257   2HB   ASN  61          2HB       ASN  61  -8.781 -11.846   3.605
  258   1HD2  ASN  61          1HD2      ASN  61 -10.417 -13.146   2.883
  259   2HD2  ASN  61          2HD2      ASN  61 -11.956 -12.532   2.352
  260    H    PHE  62           H        PHE  62 -10.411  -8.100   4.731
  261    HA   PHE  62           HA       PHE  62  -9.950  -8.656   7.441
  262   1HB   PHE  62          1HB       PHE  62 -10.980  -6.565   6.556
  263   2HB   PHE  62          2HB       PHE  62 -12.451  -7.476   6.231
  264    HD1  PHE  62           HD1      PHE  62 -14.108  -7.510   7.841
  265    HD2  PHE  62           HD2      PHE  62 -10.098  -6.705   9.012
  266    HE1  PHE  62           HE1      PHE  62 -14.869  -7.081  10.138
  267    HE2  PHE  62           HE2      PHE  62 -10.852  -6.275  11.314
  268    HZ   PHE  62           HZ       PHE  62 -13.241  -6.466  11.881
  269    H    PHE  63           H        PHE  63 -10.117 -10.700   8.067
  270    HA   PHE  63           HA       PHE  63 -12.660 -12.129   7.640
  271   1HB   PHE  63          1HB       PHE  63 -10.594 -13.248   6.840
  272   2HB   PHE  63          2HB       PHE  63  -9.917 -13.140   8.457
  273    HD1  PHE  63           HD1      PHE  63 -10.039 -14.992   9.806
  274    HD2  PHE  63           HD2      PHE  63 -12.928 -14.495   6.719
  275    HE1  PHE  63           HE1      PHE  63 -11.000 -17.189  10.358
  276    HE2  PHE  63           HE2      PHE  63 -13.892 -16.690   7.266
  277    HZ   PHE  63           HZ       PHE  63 -12.929 -18.040   9.088
  278    H    LYS  64           H        LYS  64 -11.783  -9.971   9.613
  279    HA   LYS  64           HA       LYS  64 -11.795  -9.436  11.814
  280   1HB   LYS  64          1HB       LYS  64 -13.460 -11.957  12.057
  281   2HB   LYS  64          2HB       LYS  64 -13.237 -10.775  13.341
  282   1HG   LYS  64          1HG       LYS  64 -14.277  -9.061  11.921
  283   2HG   LYS  64          2HG       LYS  64 -14.541 -10.278  10.673
  284   1HD   LYS  64          1HD       LYS  64 -15.977 -11.536  12.183
  285   2HD   LYS  64          2HD       LYS  64 -15.677 -10.360  13.465
  286   1HE   LYS  64          1HE       LYS  64 -17.820  -9.924  12.416
  287   2HE   LYS  64          2HE       LYS  64 -16.695  -8.607  12.085
  288   1HZ   LYS  64          1HZ       LYS  64 -16.254  -9.683   9.901
  289   2HZ   LYS  64          2HZ       LYS  64 -17.846  -9.130  10.084
  290   3HZ   LYS  64          3HZ       LYS  64 -17.504 -10.785  10.231
  291    H    ASP  65           H        ASP  65  -9.599 -10.326  10.946
  292    HA   ASP  65           HA       ASP  65  -8.547 -12.780  11.751
  293   1HB   ASP  65          1HB       ASP  65  -6.899 -10.295  11.309
  294   2HB   ASP  65          2HB       ASP  65  -6.479 -11.963  10.938
  295    H    VAL  66           H        VAL  66  -9.315 -10.176  13.660
  296    HA   VAL  66           HA       VAL  66  -8.551  -9.198  15.560
  297    HB   VAL  66           HB       VAL  66  -8.448 -10.618  17.356
  298   1HG1  VAL  66          1HG1      VAL  66 -10.699 -10.993  15.387
  299   2HG1  VAL  66          2HG1      VAL  66 -10.501  -9.633  16.494
  300   3HG1  VAL  66          3HG1      VAL  66 -10.797 -11.252  17.130
  301   1HG2  VAL  66          1HG2      VAL  66  -8.887 -12.802  15.334
  302   2HG2  VAL  66          2HG2      VAL  66  -9.047 -12.958  17.084
  303   3HG2  VAL  66          3HG2      VAL  66  -7.473 -12.615  16.366
  304    H    ALA  67           H        ALA  67  -6.393  -9.346  13.921
  305    HA   ALA  67           HA       ALA  67  -4.203  -9.862  15.818
  306   1HB   ALA  67          1HB       ALA  67  -3.929 -11.033  13.696
  307   2HB   ALA  67          2HB       ALA  67  -2.706  -9.774  13.864
  308   3HB   ALA  67          3HB       ALA  67  -4.101  -9.512  12.818
  309    HA   PRO  68           HA       PRO  68  -4.900  -5.516  16.712
  310   1HB   PRO  68          1HB       PRO  68  -2.110  -5.956  17.706
  311   2HB   PRO  68          2HB       PRO  68  -3.448  -5.086  18.467
  312   1HG   PRO  68          1HG       PRO  68  -2.847  -7.552  19.238
  313   2HG   PRO  68          2HG       PRO  68  -4.539  -7.040  19.088
  314   1HD   PRO  68          1HD       PRO  68  -2.943  -8.838  17.346
  315   2HD   PRO  68          2HD       PRO  68  -4.690  -8.826  17.661
  316    H    CYS  69           H        CYS  69  -4.850  -4.200  15.031
  317    HA   CYS  69           HA       CYS  69  -2.361  -3.798  13.535
  318   1HB   CYS  69          1HB       CYS  69  -5.049  -2.575  12.887
  319   2HB   CYS  69          2HB       CYS  69  -3.671  -2.784  11.819
  320    H    THR  70           H        THR  70  -1.119  -2.107  14.087
  321    HA   THR  70           HA       THR  70  -1.700  -0.116  15.911
  322    HB   THR  70           HB       THR  70  -0.180   0.328  13.528
  323    HG1  THR  70           HG1      THR  70   1.483  -0.787  14.826
  324   1HG2  THR  70          1HG2      THR  70   1.240   1.506  15.125
  325   2HG2  THR  70          2HG2      THR  70   0.117   1.101  16.423
  326   3HG2  THR  70          3HG2      THR  70  -0.396   2.165  15.113
  327    H    ASP  71           H        ASP  71  -1.852   0.064  12.371
  328    HA   ASP  71           HA       ASP  71  -4.379   1.359  12.378
  329   1HB   ASP  71          1HB       ASP  71  -3.032   3.342  12.920
  330   2HB   ASP  71          2HB       ASP  71  -1.991   3.024  11.534
  331    H    SER  72           H        SER  72  -1.556   1.621  10.271
  332    HA   SER  72           HA       SER  72  -2.889  -0.142   8.334
  333   1HB   SER  72          1HB       SER  72  -1.138   2.259   7.714
  334   2HB   SER  72          2HB       SER  72  -1.908   1.204   6.530
  335    HG   SER  72           HG       SER  72  -3.252   2.848   8.437
  336    HA   PRO  73           HA       PRO  73   0.767  -2.595   8.648
  337   1HB   PRO  73          1HB       PRO  73   0.602  -3.375   5.841
  338   2HB   PRO  73          2HB       PRO  73   0.241  -4.325   7.284
  339   1HG   PRO  73          1HG       PRO  73  -1.684  -3.505   5.566
  340   2HG   PRO  73          2HG       PRO  73  -1.971  -3.704   7.304
  341   1HD   PRO  73          1HD       PRO  73  -1.434  -1.197   5.747
  342   2HD   PRO  73          2HD       PRO  73  -2.631  -1.489   7.029
  343    H    GLU  74           H        GLU  74   1.394   0.123   8.034
  344    HA   GLU  74           HA       GLU  74   3.115   1.435   7.381
  345   1HB   GLU  74          1HB       GLU  74   4.481  -1.190   6.767
  346   2HB   GLU  74          2HB       GLU  74   5.277   0.377   6.777
  347   1HG   GLU  74          1HG       GLU  74   4.042  -1.054   9.115
  348   2HG   GLU  74          2HG       GLU  74   5.752  -0.739   8.829
  349    H    PHE  75           H        PHE  75   4.720   1.759   5.406
  350    HA   PHE  75           HA       PHE  75   5.015   2.184   3.197
  351   1HB   PHE  75          1HB       PHE  75   3.194  -0.204   2.831
  352   2HB   PHE  75          2HB       PHE  75   4.069   0.590   1.526
  353    HD1  PHE  75           HD1      PHE  75   4.211  -1.844   4.138
  354    HD2  PHE  75           HD2      PHE  75   6.591   0.618   1.615
  355    HE1  PHE  75           HE1      PHE  75   6.157  -3.279   4.587
  356    HE2  PHE  75           HE2      PHE  75   8.544  -0.814   2.052
  357    HZ   PHE  75           HZ       PHE  75   8.321  -2.782   3.527
  358    H    TYR  76           H        TYR  76   2.766   3.302   4.772
  359    HA   TYR  76           HA       TYR  76   1.008   4.058   2.543
  360   1HB   TYR  76          1HB       TYR  76  -0.707   4.584   4.210
  361   2HB   TYR  76          2HB       TYR  76  -0.188   2.911   4.352
  362    HD1  TYR  76           HD1      TYR  76   1.196   2.203   6.275
  363    HD2  TYR  76           HD2      TYR  76  -0.356   6.155   5.996
  364    HE1  TYR  76           HE1      TYR  76   1.662   2.548   8.661
  365    HE2  TYR  76           HE2      TYR  76   0.102   6.509   8.386
  366    HH   TYR  76           HH       TYR  76   0.475   5.265  10.409
  367    H    GLY  77           H        GLY  77   0.613   6.200   2.143
  368   1HA   GLY  77          1HA       GLY  77   2.383   8.083   3.561
  369   2HA   GLY  77          2HA       GLY  77   1.808   8.284   1.911
  370    H    LYS  78           H        LYS  78   1.036   8.578   5.289
  371    HA   LYS  78           HA       LYS  78  -0.572   9.703   6.433
  372   1HB   LYS  78          1HB       LYS  78   0.284  11.473   4.735
  373   2HB   LYS  78          2HB       LYS  78  -1.243  11.198   3.910
  374   1HG   LYS  78          1HG       LYS  78  -1.465  13.113   5.316
  375   2HG   LYS  78          2HG       LYS  78  -2.423  11.803   6.006
  376   1HD   LYS  78          1HD       LYS  78  -0.643  11.330   7.605
  377   2HD   LYS  78          2HD       LYS  78   0.342  12.614   6.901
  378   1HE   LYS  78          1HE       LYS  78  -2.327  12.954   8.266
  379   2HE   LYS  78          2HE       LYS  78  -0.754  13.372   8.942
  380   1HZ   LYS  78          1HZ       LYS  78  -2.036  14.619   6.568
  381   2HZ   LYS  78          2HZ       LYS  78  -0.476  14.979   7.128
  382   3HZ   LYS  78          3HZ       LYS  78  -1.823  15.328   8.095
  383    H    PHE  79           H        PHE  79  -1.285   7.249   5.299
  384    HA   PHE  79           HA       PHE  79  -3.406   7.074   3.584
  385   1HB   PHE  79          1HB       PHE  79  -2.068   5.163   4.462
  386   2HB   PHE  79          2HB       PHE  79  -2.970   5.273   5.970
  387    HD1  PHE  79           HD1      PHE  79  -5.108   4.285   6.185
  388    HD2  PHE  79           HD2      PHE  79  -3.274   4.589   2.359
  389    HE1  PHE  79           HE1      PHE  79  -6.840   2.811   5.241
  390    HE2  PHE  79           HE2      PHE  79  -4.999   3.121   1.410
  391    HZ   PHE  79           HZ       PHE  79  -6.784   2.231   2.845
  392    H    LYS  80           H        LYS  80  -3.532   7.844   7.024
  393    HA   LYS  80           HA       LYS  80  -6.293   7.143   7.321
  394   1HB   LYS  80          1HB       LYS  80  -4.574   7.175   9.179
  395   2HB   LYS  80          2HB       LYS  80  -4.678   8.930   9.146
  396   1HG   LYS  80          1HG       LYS  80  -7.028   8.827   9.736
  397   2HG   LYS  80          2HG       LYS  80  -6.978   7.064   9.696
  398   1HD   LYS  80          1HD       LYS  80  -5.287   7.111  11.500
  399   2HD   LYS  80          2HD       LYS  80  -5.452   8.867  11.572
  400   1HE   LYS  80          1HE       LYS  80  -7.639   6.853  12.094
  401   2HE   LYS  80          2HE       LYS  80  -6.768   7.777  13.316
  402   1HZ   LYS  80          1HZ       LYS  80  -8.664   8.790  11.276
  403   2HZ   LYS  80          2HZ       LYS  80  -7.627   9.815  12.136
  404   3HZ   LYS  80          3HZ       LYS  80  -8.788   8.900  12.964
  405    H    GLU  81           H        GLU  81  -4.502  10.089   6.716
  406    HA   GLU  81           HA       GLU  81  -6.849  11.762   6.717
  407   1HB   GLU  81          1HB       GLU  81  -4.739  12.757   7.368
  408   2HB   GLU  81          2HB       GLU  81  -3.985  12.239   5.867
  409   1HG   GLU  81          1HG       GLU  81  -5.435  13.758   4.618
  410   2HG   GLU  81          2HG       GLU  81  -6.187  14.275   6.127
  411    H    GLY  82           H        GLY  82  -4.914   9.960   4.466
  412   1HA   GLY  82          1HA       GLY  82  -5.647  11.099   2.065
  413   2HA   GLY  82          2HA       GLY  82  -5.156   9.441   2.287
  414    H    VAL  83           H        VAL  83  -7.077   8.483   3.891
  415    HA   VAL  83           HA       VAL  83  -9.157   7.892   2.030
  416    HB   VAL  83           HB       VAL  83  -8.957   7.478   4.865
  417   1HG1  VAL  83          1HG1      VAL  83 -10.535   5.623   4.362
  418   2HG1  VAL  83          2HG1      VAL  83 -10.712   6.261   2.725
  419   3HG1  VAL  83          3HG1      VAL  83 -11.239   7.219   4.110
  420   1HG2  VAL  83          1HG2      VAL  83  -8.150   5.777   2.517
  421   2HG2  VAL  83          2HG2      VAL  83  -8.161   5.262   4.204
  422   3HG2  VAL  83          3HG2      VAL  83  -7.068   6.545   3.680
  423    H    ALA  84           H        ALA  84  -8.996   9.802   5.005
  424    HA   ALA  84           HA       ALA  84 -11.803  10.306   5.074
  425   1HB   ALA  84          1HB       ALA  84 -11.285  11.826   6.925
  426   2HB   ALA  84          2HB       ALA  84  -9.564  11.658   6.574
  427   3HB   ALA  84          3HB       ALA  84 -10.491  10.264   7.131
  428    H    SER  85           H        SER  85  -9.009  11.897   3.802
  429    HA   SER  85           HA       SER  85 -10.294  14.359   3.137
  430   1HB   SER  85          1HB       SER  85  -7.783  13.926   3.217
  431   2HB   SER  85          2HB       SER  85  -7.960  13.113   1.664
  432    HG   SER  85           HG       SER  85  -9.015  15.699   1.962
  433    H    GLY  86           H        GLY  86 -10.248  11.185   1.774
  434   1HA   GLY  86          1HA       GLY  86 -11.769  10.285   0.282
  435   2HA   GLY  86          2HA       GLY  86 -12.425  11.896   0.023
  436    H    ASN  87           H        ASN  87  -9.034  11.450  -0.279
  437    HA   ASN  87           HA       ASN  87  -9.016  11.003  -3.088
  438   1HB   ASN  87          1HB       ASN  87  -8.090  13.297  -3.679
  439   2HB   ASN  87          2HB       ASN  87  -9.815  13.216  -3.362
  440   1HD2  ASN  87          1HD2      ASN  87  -7.193  13.303  -0.979
  441   2HD2  ASN  87          2HD2      ASN  87  -7.673  14.802  -0.258
  442    H    LEU  88           H        LEU  88  -7.681   9.609  -1.381
  443    HA   LEU  88           HA       LEU  88  -5.089  10.524  -0.743
  444   1HB   LEU  88          1HB       LEU  88  -6.534   8.373  -0.055
  445   2HB   LEU  88          2HB       LEU  88  -5.484   7.648  -1.260
  446    HG   LEU  88           HG       LEU  88  -4.559   9.241   1.070
  447   1HD1  LEU  88          1HD1      LEU  88  -3.907   7.105   2.091
  448   2HD1  LEU  88          2HD1      LEU  88  -4.638   6.246   0.735
  449   3HD1  LEU  88          3HD1      LEU  88  -5.648   7.195   1.825
  450   1HD2  LEU  88          1HD2      LEU  88  -2.960   9.240  -0.754
  451   2HD2  LEU  88          2HD2      LEU  88  -3.029   7.479  -0.834
  452   3HD2  LEU  88          3HD2      LEU  88  -2.354   8.273   0.589
  453    H    ASN  89           H        ASN  89  -4.296  11.488  -2.649
  454    HA   ASN  89           HA       ASN  89  -3.003   9.516  -4.361
  455   1HB   ASN  89          1HB       ASN  89  -4.897  10.139  -5.703
  456   2HB   ASN  89          2HB       ASN  89  -4.657  11.839  -5.354
  457   1HD2  ASN  89          1HD2      ASN  89  -4.532  12.388  -7.533
  458   2HD2  ASN  89          2HD2      ASN  89  -3.157  11.995  -8.506
  459    H    THR  90           H        THR  90  -0.953   9.865  -3.672
  460    HA   THR  90           HA       THR  90   0.222  12.466  -4.100
  461    HB   THR  90           HB       THR  90  -0.839  12.596  -2.048
  462    HG1  THR  90           HG1      THR  90   0.853  13.701  -1.273
  463   1HG2  THR  90          1HG2      THR  90   0.141  11.421  -0.137
  464   2HG2  THR  90          2HG2      THR  90   1.111  10.448  -1.240
  465   3HG2  THR  90          3HG2      THR  90  -0.647  10.315  -1.262
  466    H    MET  91           H        MET  91   2.508  12.457  -3.848
  467    HA   MET  91           HA       MET  91   3.701   9.774  -3.666
  468   1HB   MET  91          1HB       MET  91   5.428  10.574  -5.315
  469   2HB   MET  91          2HB       MET  91   3.825  10.310  -5.972
  470   1HG   MET  91          1HG       MET  91   3.403  12.741  -5.838
  471   2HG   MET  91          2HG       MET  91   5.047  12.964  -5.248
  472   1HE   MET  91          1HE       MET  91   3.911  14.551  -7.748
  473   2HE   MET  91          2HE       MET  91   5.296  14.442  -8.835
  474   3HE   MET  91          3HE       MET  91   5.547  14.720  -7.110
  475    H    PHE  92           H        PHE  92   5.231   9.571  -2.222
  476    HA   PHE  92           HA       PHE  92   6.789  11.875  -1.371
  477   1HB   PHE  92          1HB       PHE  92   4.850  11.924   0.120
  478   2HB   PHE  92          2HB       PHE  92   5.096  10.229   0.524
  479    HD1  PHE  92           HD1      PHE  92   6.703  13.566   0.731
  480    HD2  PHE  92           HD2      PHE  92   6.437   9.632   2.336
  481    HE1  PHE  92           HE1      PHE  92   8.149  14.236   2.604
  482    HE2  PHE  92           HE2      PHE  92   7.884  10.298   4.213
  483    HZ   PHE  92           HZ       PHE  92   8.729  12.587   4.363
  484    H    GLU  93           H        GLU  93   8.842  11.286  -1.035
  485    HA   GLU  93           HA       GLU  93   9.391   8.420  -0.808
  486   1HB   GLU  93          1HB       GLU  93  11.695   8.998  -1.543
  487   2HB   GLU  93          2HB       GLU  93  10.457   9.374  -2.729
  488   1HG   GLU  93          1HG       GLU  93  10.544  11.740  -1.958
  489   2HG   GLU  93          2HG       GLU  93  11.922  11.301  -0.949
  490    H    TYR  94           H        TYR  94  10.169   7.613   0.997
  491    HA   TYR  94           HA       TYR  94  11.348   9.475   2.931
  492   1HB   TYR  94          1HB       TYR  94  10.413   7.976   4.747
  493   2HB   TYR  94          2HB       TYR  94   9.240   8.961   3.887
  494    HD1  TYR  94           HD1      TYR  94  10.144   5.653   4.908
  495    HD2  TYR  94           HD2      TYR  94   7.861   7.835   2.055
  496    HE1  TYR  94           HE1      TYR  94   8.833   3.632   4.420
  497    HE2  TYR  94           HE2      TYR  94   6.539   5.820   1.563
  498    HH   TYR  94           HH       TYR  94   6.730   3.397   1.746
  499    H    THR  95           H        THR  95  13.399   9.070   2.494
  500    HA   THR  95           HA       THR  95  14.269   6.319   2.231
  501    HB   THR  95           HB       THR  95  14.919   7.836   0.699
  502    HG1  THR  95           HG1      THR  95  17.357   7.531   1.619
  503   1HG2  THR  95          1HG2      THR  95  16.529   9.592   1.244
  504   2HG2  THR  95          2HG2      THR  95  16.294   9.265   2.962
  505   3HG2  THR  95          3HG2      THR  95  14.957   9.882   1.989
  506    H    PHE  96           H        PHE  96  15.445   5.248   3.669
  507    HA   PHE  96           HA       PHE  96  16.454   4.660   5.607
  508   1HB   PHE  96          1HB       PHE  96  17.549   7.469   5.333
  509   2HB   PHE  96          2HB       PHE  96  18.099   6.331   6.557
  510    HD1  PHE  96           HD1      PHE  96  20.360   6.123   5.861
  511    HD2  PHE  96           HD2      PHE  96  17.213   5.438   3.085
  512    HE1  PHE  96           HE1      PHE  96  21.970   5.160   4.268
  513    HE2  PHE  96           HE2      PHE  96  18.800   4.477   1.492
  514    HZ   PHE  96           HZ       PHE  96  21.196   4.334   2.079
  515    H    ASP  97           H        ASP  97  14.146   4.695   6.323
  516    HA   ASP  97           HA       ASP  97  13.363   6.895   8.041
  517   1HB   ASP  97          1HB       ASP  97  11.198   5.820   8.102
  518   2HB   ASP  97          2HB       ASP  97  11.774   5.818   6.438
  519    H    TYR  98           H        TYR  98  11.710   5.098   9.702
  520    HA   TYR  98           HA       TYR  98  13.585   4.801  11.852
  521   1HB   TYR  98          1HB       TYR  98  10.674   3.986  11.758
  522   2HB   TYR  98          2HB       TYR  98  11.652   4.242  13.200
  523    HD1  TYR  98           HD1      TYR  98  12.663   6.644  13.466
  524    HD2  TYR  98           HD2      TYR  98   9.348   5.711  10.971
  525    HE1  TYR  98           HE1      TYR  98  11.958   8.999  13.534
  526    HE2  TYR  98           HE2      TYR  98   8.640   8.063  11.027
  527    HH   TYR  98           HH       TYR  98  10.619  10.558  12.184
  528    H    GLN  99           H        GLN  99  12.443   2.792   9.356
  529    HA   GLN  99           HA       GLN  99  12.738   0.273  10.651
  530   1HB   GLN  99          1HB       GLN  99  11.479   0.521   8.559
  531   2HB   GLN  99          2HB       GLN  99  12.943   1.018   7.724
  532   1HG   GLN  99          1HG       GLN  99  13.904  -1.156   7.973
  533   2HG   GLN  99          2HG       GLN  99  12.576  -1.675   9.011
  534   1HE2  GLN  99          1HE2      GLN  99  13.556  -0.932   5.757
  535   2HE2  GLN  99          2HE2      GLN  99  12.192  -1.652   4.973
  536    H    MET 100           H        MET 100  14.533  -0.834  11.141
  537    HA   MET 100           HA       MET 100  17.029   0.452  11.113
  538   1HB   MET 100          1HB       MET 100  16.358  -1.258  12.768
  539   2HB   MET 100          2HB       MET 100  16.477  -2.490  11.520
  540   1HG   MET 100          1HG       MET 100  18.831  -2.149  11.313
  541   2HG   MET 100          2HG       MET 100  18.769  -0.751  12.385
  542   1HE   MET 100          1HE       MET 100  16.840  -1.620  14.636
  543   2HE   MET 100          2HE       MET 100  18.407  -0.913  15.031
  544   3HE   MET 100          3HE       MET 100  17.888  -2.401  15.821
  545    H    THR 101           H        THR 101  15.531  -1.662   8.812
  546    HA   THR 101           HA       THR 101  17.980  -1.751   7.208
  547    HB   THR 101           HB       THR 101  15.331  -2.646   6.552
  548    HG1  THR 101           HG1      THR 101  16.157  -3.565   8.550
  549   1HG2  THR 101          1HG2      THR 101  18.092  -3.366   5.585
  550   2HG2  THR 101          2HG2      THR 101  16.894  -2.423   4.697
  551   3HG2  THR 101          3HG2      THR 101  16.584  -4.120   5.067
  552    HA   PRO 102           HA       PRO 102  16.089   2.086   5.705
  553   1HB   PRO 102          1HB       PRO 102  18.725   2.949   4.924
  554   2HB   PRO 102          2HB       PRO 102  17.734   3.529   6.263
  555   1HG   PRO 102          1HG       PRO 102  20.067   2.130   6.580
  556   2HG   PRO 102          2HG       PRO 102  18.758   2.158   7.775
  557   1HD   PRO 102          1HD       PRO 102  19.405   0.077   5.719
  558   2HD   PRO 102          2HD       PRO 102  18.898  -0.130   7.411
  559    H    THR 103           H        THR 103  15.027   1.462   3.881
  560    HA   THR 103           HA       THR 103  16.647   1.191   1.436
  561    HB   THR 103           HB       THR 103  13.849   0.655   1.722
  562    HG1  THR 103           HG1      THR 103  15.773  -0.524   3.069
  563   1HG2  THR 103          1HG2      THR 103  16.017  -0.340  -0.111
  564   2HG2  THR 103          2HG2      THR 103  14.768   0.833  -0.531
  565   3HG2  THR 103          3HG2      THR 103  14.322  -0.830  -0.144
  566    H    LYS 104           H        LYS 104  16.295   2.629  -0.259
  567    HA   LYS 104           HA       LYS 104  14.797   4.996   0.474
  568   1HB   LYS 104          1HB       LYS 104  17.009   5.215  -0.647
  569   2HB   LYS 104          2HB       LYS 104  16.315   4.478  -2.090
  570   1HG   LYS 104          1HG       LYS 104  14.809   6.302  -2.386
  571   2HG   LYS 104          2HG       LYS 104  15.250   6.991  -0.824
  572   1HD   LYS 104          1HD       LYS 104  17.588   7.245  -1.715
  573   2HD   LYS 104          2HD       LYS 104  16.965   6.772  -3.296
  574   1HE   LYS 104          1HE       LYS 104  16.060   9.150  -1.671
  575   2HE   LYS 104          2HE       LYS 104  17.104   9.204  -3.089
  576   1HZ   LYS 104          1HZ       LYS 104  14.729   9.739  -3.526
  577   2HZ   LYS 104          2HZ       LYS 104  14.341   8.140  -3.133
  578   3HZ   LYS 104          3HZ       LYS 104  15.334   8.458  -4.464
  579    H    VAL 105           H        VAL 105  12.712   4.650   0.388
  580    HA   VAL 105           HA       VAL 105  11.584   3.523  -2.072
  581    HB   VAL 105           HB       VAL 105   9.635   3.246  -0.866
  582   1HG1  VAL 105          1HG1      VAL 105  12.147   1.899   0.116
  583   2HG1  VAL 105          2HG1      VAL 105  11.179   1.427  -1.281
  584   3HG1  VAL 105          3HG1      VAL 105  10.511   1.283   0.344
  585   1HG2  VAL 105          1HG2      VAL 105   9.777   3.237   1.576
  586   2HG2  VAL 105          2HG2      VAL 105   9.952   4.859   0.904
  587   3HG2  VAL 105          3HG2      VAL 105  11.373   3.982   1.475
  588    H    LYS 106           H        LYS 106   9.547   4.354  -2.806
  589    HA   LYS 106           HA       LYS 106   8.934   7.097  -2.024
  590   1HB   LYS 106          1HB       LYS 106  10.679   7.091  -3.891
  591   2HB   LYS 106          2HB       LYS 106   9.440   6.384  -4.917
  592   1HG   LYS 106          1HG       LYS 106   8.063   8.335  -4.698
  593   2HG   LYS 106          2HG       LYS 106   9.164   9.027  -3.505
  594   1HD   LYS 106          1HD       LYS 106   9.772  10.125  -5.457
  595   2HD   LYS 106          2HD       LYS 106  10.943   8.807  -5.372
  596   1HE   LYS 106          1HE       LYS 106  10.147   8.937  -7.618
  597   2HE   LYS 106          2HE       LYS 106   9.461   7.490  -6.882
  598   1HZ   LYS 106          1HZ       LYS 106   8.007  10.072  -7.037
  599   2HZ   LYS 106          2HZ       LYS 106   7.376   8.543  -6.648
  600   3HZ   LYS 106          3HZ       LYS 106   7.888   8.870  -8.227
  601    H    VAL 107           H        VAL 107   6.789   7.106  -1.714
  602    HA   VAL 107           HA       VAL 107   5.241   4.994  -2.980
  603    HB   VAL 107           HB       VAL 107   3.432   5.834  -1.762
  604   1HG1  VAL 107          1HG1      VAL 107   5.934   4.961  -0.306
  605   2HG1  VAL 107          2HG1      VAL 107   4.748   3.906  -1.075
  606   3HG1  VAL 107          3HG1      VAL 107   4.295   4.864   0.335
  607   1HG2  VAL 107          1HG2      VAL 107   3.838   7.268   0.117
  608   2HG2  VAL 107          2HG2      VAL 107   4.228   8.113  -1.381
  609   3HG2  VAL 107          3HG2      VAL 107   5.520   7.482  -0.359
  610    H    HIS 108           H        HIS 108   3.699   5.255  -4.426
  611    HA   HIS 108           HA       HIS 108   2.542   7.933  -4.614
  612   1HB   HIS 108          1HB       HIS 108   3.899   7.412  -6.687
  613   2HB   HIS 108          2HB       HIS 108   2.801   6.069  -6.988
  614    HD1  HIS 108           HD1      HIS 108   1.915   7.117  -9.187
  615    HD2  HIS 108           HD2      HIS 108   1.343   9.508  -5.829
  616    HE1  HIS 108           HE1      HIS 108   0.322   8.925  -9.897
  617    HE2  HIS 108           HE2      HIS 108   0.117  10.447  -7.906
  618    H    MET 109           H        MET 109   0.808   7.601  -3.473
  619    HA   MET 109           HA       MET 109  -0.788   5.186  -3.958
  620   1HB   MET 109          1HB       MET 109  -0.990   7.214  -1.709
  621   2HB   MET 109          2HB       MET 109  -1.950   5.750  -1.863
  622   1HG   MET 109          1HG       MET 109   0.131   4.421  -1.693
  623   2HG   MET 109          2HG       MET 109   1.018   5.917  -1.403
  624   1HE   MET 109          1HE       MET 109  -2.569   4.859  -0.171
  625   2HE   MET 109          2HE       MET 109  -2.191   4.183   1.414
  626   3HE   MET 109          3HE       MET 109  -1.615   3.378  -0.045
  627    H    LYS 110           H        LYS 110  -2.794   5.402  -4.897
  628    HA   LYS 110           HA       LYS 110  -3.690   8.141  -5.351
  629   1HB   LYS 110          1HB       LYS 110  -3.959   7.790  -7.752
  630   2HB   LYS 110          2HB       LYS 110  -2.277   7.615  -7.281
  631   1HG   LYS 110          1HG       LYS 110  -2.539   5.170  -7.344
  632   2HG   LYS 110          2HG       LYS 110  -4.204   5.384  -7.889
  633   1HD   LYS 110          1HD       LYS 110  -3.314   6.673  -9.841
  634   2HD   LYS 110          2HD       LYS 110  -1.687   6.228  -9.323
  635   1HE   LYS 110          1HE       LYS 110  -2.310   3.850  -9.518
  636   2HE   LYS 110          2HE       LYS 110  -3.898   4.335 -10.111
  637   1HZ   LYS 110          1HZ       LYS 110  -2.709   5.499 -11.950
  638   2HZ   LYS 110          2HZ       LYS 110  -2.569   3.811 -11.971
  639   3HZ   LYS 110          3HZ       LYS 110  -1.275   4.758 -11.429
  640    H    LYS 111           H        LYS 111  -5.792   8.315  -5.027
  641    HA   LYS 111           HA       LYS 111  -7.504   6.277  -4.497
  642   1HB   LYS 111          1HB       LYS 111  -7.970   8.536  -3.986
  643   2HB   LYS 111          2HB       LYS 111  -7.918   8.999  -5.676
  644   1HG   LYS 111          1HG       LYS 111  -9.941   7.691  -6.106
  645   2HG   LYS 111          2HG       LYS 111 -10.000   7.236  -4.399
  646   1HD   LYS 111          1HD       LYS 111 -10.377   9.482  -3.727
  647   2HD   LYS 111          2HD       LYS 111 -10.014  10.090  -5.347
  648   1HE   LYS 111          1HE       LYS 111 -11.998   9.011  -6.225
  649   2HE   LYS 111          2HE       LYS 111 -12.330   8.282  -4.656
  650   1HZ   LYS 111          1HZ       LYS 111 -12.807  10.396  -3.734
  651   2HZ   LYS 111          2HZ       LYS 111 -13.663  10.295  -5.191
  652   3HZ   LYS 111          3HZ       LYS 111 -12.240  11.214  -5.107
  653    H    ALA 112           H        ALA 112  -8.091   4.641  -5.677
  654    HA   ALA 112           HA       ALA 112  -7.392   4.286  -8.347
  655   1HB   ALA 112          1HB       ALA 112  -9.433   2.794  -6.709
  656   2HB   ALA 112          2HB       ALA 112  -7.712   2.429  -6.818
  657   3HB   ALA 112          3HB       ALA 112  -8.744   2.244  -8.235
  658    H    LEU 113           H        LEU 113  -8.587   4.264 -10.242
  659    HA   LEU 113           HA       LEU 113 -10.587   6.286 -10.424
  660   1HB   LEU 113          1HB       LEU 113  -9.716   4.292 -12.516
  661   2HB   LEU 113          2HB       LEU 113 -10.624   5.766 -12.800
  662    HG   LEU 113           HG       LEU 113  -7.770   5.599 -11.835
  663   1HD1  LEU 113          1HD1      LEU 113  -8.946   6.515 -14.455
  664   2HD1  LEU 113          2HD1      LEU 113  -8.014   5.042 -14.190
  665   3HD1  LEU 113          3HD1      LEU 113  -7.246   6.618 -14.001
  666   1HD2  LEU 113          1HD2      LEU 113  -8.944   7.498 -10.846
  667   2HD2  LEU 113          2HD2      LEU 113  -9.479   8.006 -12.447
  668   3HD2  LEU 113          3HD2      LEU 113  -7.762   8.032 -12.041
  669    H    SER 114           H        SER 114 -10.722   3.029  -9.645
  670    HA   SER 114           HA       SER 114 -13.282   2.385 -10.713
  671   1HB   SER 114          1HB       SER 114 -13.082   0.604  -8.777
  672   2HB   SER 114          2HB       SER 114 -12.049   0.490 -10.202
  673    HG   SER 114           HG       SER 114 -11.376   0.956  -7.596
  674    H    GLY 115           H        GLY 115 -12.142   3.943  -7.786
  675   1HA   GLY 115          1HA       GLY 115 -14.092   5.506  -7.072
  676   2HA   GLY 115          2HA       GLY 115 -14.868   3.974  -6.695
  677    H    ASP 116           H        ASP 116 -14.841   3.595  -4.596
  678    HA   ASP 116           HA       ASP 116 -13.042   4.973  -2.847
  679   1HB   ASP 116          1HB       ASP 116 -15.465   4.408  -2.346
  680   2HB   ASP 116          2HB       ASP 116 -14.934   2.750  -2.077
  681    H    SER 117           H        SER 117 -11.090   4.185  -3.655
  682    HA   SER 117           HA       SER 117  -9.950   2.014  -2.221
  683   1HB   SER 117          1HB       SER 117  -9.224   0.866  -4.423
  684   2HB   SER 117          2HB       SER 117 -10.823   0.523  -3.776
  685    HG   SER 117           HG       SER 117 -10.913   2.688  -5.365
  686    H    TYR 118           H        TYR 118  -7.619   1.941  -2.609
  687    HA   TYR 118           HA       TYR 118  -6.576   4.236  -4.116
  688   1HB   TYR 118          1HB       TYR 118  -5.729   3.728  -1.254
  689   2HB   TYR 118          2HB       TYR 118  -5.299   5.094  -2.283
  690    HD1  TYR 118           HD1      TYR 118  -7.670   3.751   0.033
  691    HD2  TYR 118           HD2      TYR 118  -7.028   6.752  -2.884
  692    HE1  TYR 118           HE1      TYR 118  -9.575   5.021   0.944
  693    HE2  TYR 118           HE2      TYR 118  -8.934   8.042  -1.999
  694    HH   TYR 118           HH       TYR 118 -10.314   7.480   0.965
  695    H    TRP 119           H        TRP 119  -4.608   3.868  -5.069
  696    HA   TRP 119           HA       TRP 119  -3.555   1.184  -4.896
  697   1HB   TRP 119          1HB       TRP 119  -2.774   3.618  -6.496
  698   2HB   TRP 119          2HB       TRP 119  -1.920   2.068  -6.597
  699    HD1  TRP 119           HD1      TRP 119  -5.548   3.401  -7.158
  700    HE1  TRP 119           HE1      TRP 119  -6.531   2.077  -9.156
  701    HE3  TRP 119           HE3      TRP 119  -1.630   0.271  -8.055
  702    HZ2  TRP 119           HZ2      TRP 119  -5.722  -0.024 -10.866
  703    HZ3  TRP 119           HZ3      TRP 119  -1.787  -1.343  -9.859
  704    HH2  TRP 119           HH2      TRP 119  -3.793  -1.504 -11.260
  705    H    VAL 120           H        VAL 120  -1.289   0.822  -4.674
  706    HA   VAL 120           HA       VAL 120   0.194   2.767  -3.042
  707    HB   VAL 120           HB       VAL 120   0.012  -0.072  -2.601
  708   1HG1  VAL 120          1HG1      VAL 120   1.419   2.162  -1.130
  709   2HG1  VAL 120          2HG1      VAL 120   2.192   0.876  -2.056
  710   3HG1  VAL 120          3HG1      VAL 120   1.306   0.489  -0.581
  711   1HG2  VAL 120          1HG2      VAL 120  -1.163   2.226  -1.059
  712   2HG2  VAL 120          2HG2      VAL 120  -1.115   0.545  -0.525
  713   3HG2  VAL 120          3HG2      VAL 120  -2.056   0.991  -1.949
  714    H    PHE 121           H        PHE 121   1.597   3.219  -4.747
  715    HA   PHE 121           HA       PHE 121   3.188   0.962  -5.769
  716   1HB   PHE 121          1HB       PHE 121   3.278   3.871  -6.573
  717   2HB   PHE 121          2HB       PHE 121   4.176   2.568  -7.322
  718    HD1  PHE 121           HD1      PHE 121   0.996   4.283  -7.117
  719    HD2  PHE 121           HD2      PHE 121   3.015   0.877  -8.670
  720    HE1  PHE 121           HE1      PHE 121  -0.840   3.928  -8.712
  721    HE2  PHE 121           HE2      PHE 121   1.178   0.512 -10.267
  722    HZ   PHE 121           HZ       PHE 121  -0.752   2.039 -10.289
  723    H    VAL 122           H        VAL 122   4.642   0.451  -4.202
  724    HA   VAL 122           HA       VAL 122   6.222   2.610  -2.997
  725    HB   VAL 122           HB       VAL 122   7.209   0.818  -1.773
  726   1HG1  VAL 122          1HG1      VAL 122   4.289   1.530  -1.529
  727   2HG1  VAL 122          2HG1      VAL 122   5.655   2.415  -0.851
  728   3HG1  VAL 122          3HG1      VAL 122   5.262   0.807  -0.248
  729   1HG2  VAL 122          1HG2      VAL 122   4.761  -0.683  -2.673
  730   2HG2  VAL 122          2HG2      VAL 122   5.997  -1.217  -1.535
  731   3HG2  VAL 122          3HG2      VAL 122   6.395  -1.025  -3.242
  732    H    LYS 123           H        LYS 123   7.948   3.204  -4.151
  733    HA   LYS 123           HA       LYS 123   9.200   1.159  -5.828
  734   1HB   LYS 123          1HB       LYS 123   9.048   4.144  -6.224
  735   2HB   LYS 123          2HB       LYS 123   9.957   3.049  -7.255
  736   1HG   LYS 123          1HG       LYS 123   7.906   1.923  -7.905
  737   2HG   LYS 123          2HG       LYS 123   6.977   2.972  -6.829
  738   1HD   LYS 123          1HD       LYS 123   7.698   4.925  -8.120
  739   2HD   LYS 123          2HD       LYS 123   8.616   3.873  -9.196
  740   1HE   LYS 123          1HE       LYS 123   5.635   3.709  -8.779
  741   2HE   LYS 123          2HE       LYS 123   6.410   4.581 -10.099
  742   1HZ   LYS 123          1HZ       LYS 123   5.722   2.417 -10.837
  743   2HZ   LYS 123          2HZ       LYS 123   6.570   1.661  -9.587
  744   3HZ   LYS 123          3HZ       LYS 123   7.417   2.472 -10.810
  745    H    ARG 124           H        ARG 124  10.967   0.428  -4.858
  746    HA   ARG 124           HA       ARG 124  12.725   2.364  -3.548
  747   1HB   ARG 124          1HB       ARG 124  13.703   0.600  -2.335
  748   2HB   ARG 124          2HB       ARG 124  11.989   0.240  -2.338
  749   1HG   ARG 124          1HG       ARG 124  12.820  -1.826  -2.775
  750   2HG   ARG 124          2HG       ARG 124  12.656  -1.232  -4.428
  751   1HD   ARG 124          1HD       ARG 124  14.985  -0.675  -4.527
  752   2HD   ARG 124          2HD       ARG 124  15.189  -1.008  -2.810
  753    HE   ARG 124           HE       ARG 124  14.291  -3.364  -3.935
  754   1HH1  ARG 124          1HH1      ARG 124  17.037  -1.222  -4.424
  755   2HH1  ARG 124          2HH1      ARG 124  18.133  -2.529  -4.795
  756   1HH2  ARG 124          1HH2      ARG 124  15.730  -5.054  -4.448
  757   2HH2  ARG 124          2HH2      ARG 124  17.385  -4.692  -4.849
  758    H    VAL 125           H        VAL 125  14.805   2.667  -4.209
  759    HA   VAL 125           HA       VAL 125  15.352   1.981  -6.938
  760    HB   VAL 125           HB       VAL 125  15.938   3.980  -6.237
  761   1HG1  VAL 125          1HG1      VAL 125  17.889   4.182  -4.593
  762   2HG1  VAL 125          2HG1      VAL 125  17.419   2.570  -4.051
  763   3HG1  VAL 125          3HG1      VAL 125  16.277   3.910  -3.939
  764   1HG2  VAL 125          1HG2      VAL 125  17.323   2.968  -7.916
  765   2HG2  VAL 125          2HG2      VAL 125  18.346   2.245  -6.677
  766   3HG2  VAL 125          3HG2      VAL 125  18.294   3.997  -6.865
  767    H2   HC4 169           H2       HC4 169  -7.122  -6.690  11.912
  768    H3   HC4 169           H3       HC4 169  -8.724  -7.518  13.127
  769    H2'  HC4 169           H2'      HC4 169 -10.385  -7.623  14.896
  770    H3'  HC4 169           H3'      HC4 169 -11.197  -7.102  17.153
  771    H5'  HC4 169           H5'      HC4 169  -8.171  -4.136  17.532
  772    H6'  HC4 169           H6'      HC4 169  -7.301  -4.750  15.332
  773   'HO4  HC4 169          'HO4      HC4 169 -10.439  -6.025  19.210
  Start of MODEL   13
    1    H    LEU  26           H        LEU  26  12.100  -9.302  -0.695
    2    HA   LEU  26           HA       LEU  26   9.889 -10.031  -1.437
    3   1HB   LEU  26          1HB       LEU  26  10.328  -7.041  -1.329
    4   2HB   LEU  26          2HB       LEU  26   8.787  -7.845  -1.089
    5    HG   LEU  26           HG       LEU  26  11.214  -8.128   0.691
    6   1HD1  LEU  26          1HD1      LEU  26  10.174  -5.935   0.887
    7   2HD1  LEU  26          2HD1      LEU  26   9.864  -6.904   2.327
    8   3HD1  LEU  26          3HD1      LEU  26   8.598  -6.689   1.119
    9   1HD2  LEU  26          1HD2      LEU  26   8.425  -9.250   0.949
   10   2HD2  LEU  26          2HD2      LEU  26   9.679  -9.331   2.186
   11   3HD2  LEU  26          3HD2      LEU  26   9.901 -10.171   0.652
   12    H    ALA  27           H        ALA  27   7.998  -8.954  -2.781
   13    HA   ALA  27           HA       ALA  27   8.947  -8.888  -5.561
   14   1HB   ALA  27          1HB       ALA  27   7.288 -10.611  -4.993
   15   2HB   ALA  27          2HB       ALA  27   6.669  -9.470  -6.188
   16   3HB   ALA  27          3HB       ALA  27   6.158  -9.350  -4.504
   17    H    PHE  28           H        PHE  28   9.375  -6.851  -6.151
   18    HA   PHE  28           HA       PHE  28   7.872  -4.642  -5.049
   19   1HB   PHE  28          1HB       PHE  28  10.324  -4.930  -6.704
   20   2HB   PHE  28          2HB       PHE  28   9.430  -3.419  -6.842
   21    HD1  PHE  28           HD1      PHE  28  10.184  -1.719  -5.526
   22    HD2  PHE  28           HD2      PHE  28  10.527  -5.713  -4.093
   23    HE1  PHE  28           HE1      PHE  28  11.238  -0.889  -3.462
   24    HE2  PHE  28           HE2      PHE  28  11.579  -4.887  -2.031
   25    HZ   PHE  28           HZ       PHE  28  11.934  -2.474  -1.711
   26    H    GLY  29           H        GLY  29   6.310  -3.506  -5.984
   27   1HA   GLY  29          1HA       GLY  29   5.877  -3.219  -8.740
   28   2HA   GLY  29          2HA       GLY  29   4.867  -4.535  -8.151
   29    H    ALA  30           H        ALA  30   2.958  -3.427  -8.539
   30    HA   ALA  30           HA       ALA  30   2.443  -1.114  -6.758
   31   1HB   ALA  30          1HB       ALA  30   1.272  -1.623  -9.505
   32   2HB   ALA  30          2HB       ALA  30   2.536  -0.451  -9.131
   33   3HB   ALA  30          3HB       ALA  30   0.919  -0.249  -8.456
   34    H    ILE  31           H        ILE  31   0.977  -1.669  -5.233
   35    HA   ILE  31           HA       ILE  31  -1.021  -3.691  -5.970
   36    HB   ILE  31           HB       ILE  31   0.189  -4.514  -4.437
   37   1HG1  ILE  31          1HG1      ILE  31  -2.349  -4.447  -4.108
   38   2HG1  ILE  31          2HG1      ILE  31  -1.306  -5.189  -2.919
   39   1HG2  ILE  31          1HG2      ILE  31   0.005  -1.941  -2.908
   40   2HG2  ILE  31          2HG2      ILE  31   1.446  -2.659  -3.627
   41   3HG2  ILE  31          3HG2      ILE  31   0.665  -3.439  -2.253
   42   1HD1  ILE  31          1HD1      ILE  31  -2.500  -2.431  -2.726
   43   2HD1  ILE  31          2HD1      ILE  31  -1.450  -3.191  -1.531
   44   3HD1  ILE  31          3HD1      ILE  31  -3.047  -3.865  -1.857
   45    H    GLN  32           H        GLN  32  -3.129  -3.300  -5.707
   46    HA   GLN  32           HA       GLN  32  -3.845  -0.609  -4.779
   47   1HB   GLN  32          1HB       GLN  32  -5.875  -0.787  -6.135
   48   2HB   GLN  32          2HB       GLN  32  -4.423  -0.944  -7.107
   49   1HG   GLN  32          1HG       GLN  32  -4.782  -3.162  -7.548
   50   2HG   GLN  32          2HG       GLN  32  -5.826  -3.391  -6.141
   51   1HE2  GLN  32          1HE2      GLN  32  -7.981  -2.675  -6.259
   52   2HE2  GLN  32          2HE2      GLN  32  -8.752  -2.372  -7.775
   53    H    LEU  33           H        LEU  33  -4.986  -0.411  -3.045
   54    HA   LEU  33           HA       LEU  33  -6.466  -2.774  -2.066
   55   1HB   LEU  33          1HB       LEU  33  -6.077  -1.876   0.225
   56   2HB   LEU  33          2HB       LEU  33  -4.639  -2.455  -0.587
   57    HG   LEU  33           HG       LEU  33  -4.230   0.031  -1.182
   58   1HD1  LEU  33          1HD1      LEU  33  -5.114   1.610   0.477
   59   2HD1  LEU  33          2HD1      LEU  33  -6.154   0.337   1.120
   60   3HD1  LEU  33          3HD1      LEU  33  -6.385   0.915  -0.530
   61   1HD2  LEU  33          1HD2      LEU  33  -3.970  -0.987   1.641
   62   2HD2  LEU  33          2HD2      LEU  33  -3.098   0.387   0.963
   63   3HD2  LEU  33          3HD2      LEU  33  -2.826  -1.234   0.321
   64    H    ASP  34           H        ASP  34  -8.378  -2.283  -0.822
   65    HA   ASP  34           HA       ASP  34  -9.749   0.021  -1.962
   66   1HB   ASP  34          1HB       ASP  34 -11.758  -0.823  -0.740
   67   2HB   ASP  34          2HB       ASP  34 -11.076  -1.972  -1.884
   68    H    GLY  35           H        GLY  35 -10.822   1.599  -0.733
   69   1HA   GLY  35          1HA       GLY  35  -9.074   2.665   1.267
   70   2HA   GLY  35          2HA       GLY  35 -10.557   3.401   0.681
   71    H    ASP  36           H        ASP  36 -11.186   0.286   1.607
   72    HA   ASP  36           HA       ASP  36 -12.485   1.213   4.035
   73   1HB   ASP  36          1HB       ASP  36 -13.650  -0.197   2.306
   74   2HB   ASP  36          2HB       ASP  36 -12.577  -1.518   2.754
   75    H    GLY  37           H        GLY  37 -10.056  -1.088   2.948
   76   1HA   GLY  37          1HA       GLY  37  -8.099  -0.987   4.626
   77   2HA   GLY  37          2HA       GLY  37  -9.307  -1.579   5.759
   78    H    ASN  38           H        ASN  38  -8.971  -2.488   2.374
   79    HA   ASN  38           HA       ASN  38  -8.096  -5.173   3.181
   80   1HB   ASN  38          1HB       ASN  38 -10.381  -4.668   1.266
   81   2HB   ASN  38          2HB       ASN  38  -9.799  -6.228   1.834
   82   1HD2  ASN  38          1HD2      ASN  38 -11.651  -3.411   2.574
   83   2HD2  ASN  38          2HD2      ASN  38 -12.406  -4.025   4.014
   84    H    ILE  39           H        ILE  39  -7.111  -6.371   1.512
   85    HA   ILE  39           HA       ILE  39  -5.848  -4.695  -0.526
   86    HB   ILE  39           HB       ILE  39  -5.419  -7.410   0.344
   87   1HG1  ILE  39          1HG1      ILE  39  -4.991  -5.777   2.097
   88   2HG1  ILE  39          2HG1      ILE  39  -3.502  -6.502   1.510
   89   1HG2  ILE  39          1HG2      ILE  39  -3.290  -7.157  -0.867
   90   2HG2  ILE  39          2HG2      ILE  39  -3.825  -5.587  -1.465
   91   3HG2  ILE  39          3HG2      ILE  39  -4.679  -7.053  -1.950
   92   1HD1  ILE  39          1HD1      ILE  39  -4.546  -3.771   0.806
   93   2HD1  ILE  39          2HD1      ILE  39  -3.067  -4.496   0.176
   94   3HD1  ILE  39          3HD1      ILE  39  -3.211  -4.136   1.898
   95    H    LEU  40           H        LEU  40  -6.450  -4.838  -2.622
   96    HA   LEU  40           HA       LEU  40  -8.418  -6.910  -3.274
   97   1HB   LEU  40          1HB       LEU  40  -9.148  -4.560  -3.441
   98   2HB   LEU  40          2HB       LEU  40  -7.902  -4.271  -4.640
   99    HG   LEU  40           HG       LEU  40  -8.994  -5.790  -6.197
  100   1HD1  LEU  40          1HD1      LEU  40 -11.076  -6.146  -4.047
  101   2HD1  LEU  40          2HD1      LEU  40  -9.904  -7.362  -4.553
  102   3HD1  LEU  40          3HD1      LEU  40 -11.139  -6.805  -5.681
  103   1HD2  LEU  40          1HD2      LEU  40 -10.906  -3.805  -4.975
  104   2HD2  LEU  40          2HD2      LEU  40 -11.047  -4.512  -6.586
  105   3HD2  LEU  40          3HD2      LEU  40  -9.687  -3.457  -6.200
  106    H    GLN  41           H        GLN  41  -5.653  -5.198  -4.757
  107    HA   GLN  41           HA       GLN  41  -5.108  -7.622  -6.319
  108   1HB   GLN  41          1HB       GLN  41  -6.520  -6.321  -7.782
  109   2HB   GLN  41          2HB       GLN  41  -5.548  -4.885  -7.510
  110   1HG   GLN  41          1HG       GLN  41  -3.647  -5.991  -8.619
  111   2HG   GLN  41          2HG       GLN  41  -4.686  -7.376  -8.962
  112   1HE2  GLN  41          1HE2      GLN  41  -7.032  -5.704  -9.418
  113   2HE2  GLN  41          2HE2      GLN  41  -6.800  -4.953 -10.960
  114    H    TYR  42           H        TYR  42  -3.037  -8.108  -6.193
  115    HA   TYR  42           HA       TYR  42  -1.091  -5.967  -5.616
  116   1HB   TYR  42          1HB       TYR  42  -1.424  -7.661  -3.803
  117   2HB   TYR  42          2HB       TYR  42  -0.909  -8.912  -4.925
  118    HD1  TYR  42           HD1      TYR  42   1.441  -9.111  -5.575
  119    HD2  TYR  42           HD2      TYR  42   0.187  -6.145  -2.794
  120    HE1  TYR  42           HE1      TYR  42   3.783  -8.739  -4.922
  121    HE2  TYR  42           HE2      TYR  42   2.526  -5.767  -2.134
  122    HH   TYR  42           HH       TYR  42   4.691  -7.069  -2.160
  123    H    ASN  43           H        ASN  43  -0.122  -5.464  -7.524
  124    HA   ASN  43           HA       ASN  43   0.236  -7.494  -9.550
  125   1HB   ASN  43          1HB       ASN  43   1.033  -4.575  -9.504
  126   2HB   ASN  43          2HB       ASN  43   1.306  -5.646 -10.872
  127   1HD2  ASN  43          1HD2      ASN  43  -0.979  -3.798  -9.094
  128   2HD2  ASN  43          2HD2      ASN  43  -2.314  -4.002 -10.178
  129    H    ALA  44           H        ALA  44   1.649  -8.946  -8.711
  130    HA   ALA  44           HA       ALA  44   4.376  -8.030  -8.135
  131   1HB   ALA  44          1HB       ALA  44   3.154 -10.779  -7.850
  132   2HB   ALA  44          2HB       ALA  44   3.378  -9.611  -6.548
  133   3HB   ALA  44          3HB       ALA  44   4.781 -10.312  -7.355
  134    H    ALA  45           H        ALA  45   2.703 -10.490 -10.047
  135    HA   ALA  45           HA       ALA  45   4.327  -9.872 -12.361
  136   1HB   ALA  45          1HB       ALA  45   4.275 -12.646 -11.161
  137   2HB   ALA  45          2HB       ALA  45   5.678 -11.581 -11.267
  138   3HB   ALA  45          3HB       ALA  45   4.947 -12.229 -12.737
  139    H    GLU  46           H        GLU  46   2.764  -9.517 -13.820
  140    HA   GLU  46           HA       GLU  46   0.143 -10.495 -13.625
  141   1HB   GLU  46          1HB       GLU  46   1.532  -9.570 -16.148
  142   2HB   GLU  46          2HB       GLU  46  -0.202  -9.629 -15.869
  143   1HG   GLU  46          1HG       GLU  46   0.144  -7.427 -15.498
  144   2HG   GLU  46          2HG       GLU  46   0.450  -8.020 -13.866
  145    H    GLY  47           H        GLY  47  -0.696 -12.422 -14.028
  146   1HA   GLY  47          1HA       GLY  47  -1.089 -14.343 -15.345
  147   2HA   GLY  47          2HA       GLY  47   0.459 -14.092 -16.142
  148    H    ASP  48           H        ASP  48   0.444 -13.823 -12.737
  149    HA   ASP  48           HA       ASP  48   1.980 -16.293 -12.523
  150   1HB   ASP  48          1HB       ASP  48   2.566 -13.952 -11.481
  151   2HB   ASP  48          2HB       ASP  48   1.440 -14.448 -10.223
  152    H    ILE  49           H        ILE  49   1.048 -18.130 -11.876
  153    HA   ILE  49           HA       ILE  49  -1.639 -17.889 -10.707
  154    HB   ILE  49           HB       ILE  49  -1.981 -20.044 -11.550
  155   1HG1  ILE  49          1HG1      ILE  49   0.490 -19.409 -13.163
  156   2HG1  ILE  49          2HG1      ILE  49   0.377 -20.665 -11.934
  157   1HG2  ILE  49          1HG2      ILE  49  -2.473 -19.148 -13.773
  158   2HG2  ILE  49          2HG2      ILE  49  -1.438 -17.759 -13.441
  159   3HG2  ILE  49          3HG2      ILE  49  -2.910 -18.008 -12.501
  160   1HD1  ILE  49          1HD1      ILE  49  -1.277 -21.837 -13.261
  161   2HD1  ILE  49          2HD1      ILE  49   0.193 -21.560 -14.197
  162   3HD1  ILE  49          3HD1      ILE  49  -1.233 -20.558 -14.472
  163    H    THR  50           H        THR  50   0.658 -17.927  -9.074
  164    HA   THR  50           HA       THR  50   0.491 -20.567  -7.833
  165    HB   THR  50           HB       THR  50   2.543 -19.510  -8.156
  166    HG1  THR  50           HG1      THR  50   1.771 -21.013  -6.313
  167   1HG2  THR  50          1HG2      THR  50   1.508 -17.609  -6.067
  168   2HG2  THR  50          2HG2      THR  50   1.979 -17.203  -7.718
  169   3HG2  THR  50          3HG2      THR  50   3.192 -17.760  -6.569
  170    H    GLY  51           H        GLY  51   0.117 -20.630  -5.432
  171   1HA   GLY  51          1HA       GLY  51  -2.107 -18.800  -4.840
  172   2HA   GLY  51          2HA       GLY  51  -1.880 -20.397  -4.143
  173    H    ARG  52           H        ARG  52  -1.160 -17.035  -3.886
  174    HA   ARG  52           HA       ARG  52   0.501 -17.452  -1.523
  175   1HB   ARG  52          1HB       ARG  52  -0.563 -14.878  -2.715
  176   2HB   ARG  52          2HB       ARG  52   0.620 -14.999  -1.422
  177   1HG   ARG  52          1HG       ARG  52   2.140 -16.171  -3.019
  178   2HG   ARG  52          2HG       ARG  52   0.972 -15.825  -4.296
  179   1HD   ARG  52          1HD       ARG  52   1.191 -13.417  -3.780
  180   2HD   ARG  52          2HD       ARG  52   2.442 -13.809  -2.602
  181    HE   ARG  52           HE       ARG  52   2.670 -14.244  -5.522
  182   1HH1  ARG  52          1HH1      ARG  52   4.126 -13.721  -2.369
  183   2HH1  ARG  52          2HH1      ARG  52   5.719 -13.422  -3.013
  184   1HH2  ARG  52          1HH2      ARG  52   4.770 -13.857  -6.367
  185   2HH2  ARG  52          2HH2      ARG  52   6.074 -13.501  -5.274
  186    H    ASP  53           H        ASP  53  -0.448 -17.846   0.381
  187    HA   ASP  53           HA       ASP  53  -3.274 -17.919   0.531
  188   1HB   ASP  53          1HB       ASP  53  -3.036 -18.910   2.648
  189   2HB   ASP  53          2HB       ASP  53  -1.644 -19.459   1.725
  190    HA   PRO  54           HA       PRO  54  -4.108 -13.818   1.828
  191   1HB   PRO  54          1HB       PRO  54  -6.813 -14.692   2.421
  192   2HB   PRO  54          2HB       PRO  54  -6.235 -13.707   1.076
  193   1HG   PRO  54          1HG       PRO  54  -7.181 -16.240   0.775
  194   2HG   PRO  54          2HG       PRO  54  -5.978 -15.514  -0.306
  195   1HD   PRO  54          1HD       PRO  54  -5.575 -17.428   1.966
  196   2HD   PRO  54          2HD       PRO  54  -4.802 -17.392   0.367
  197    H    LYS  55           H        LYS  55  -3.395 -16.038   3.956
  198    HA   LYS  55           HA       LYS  55  -4.949 -14.998   6.198
  199   1HB   LYS  55          1HB       LYS  55  -2.822 -17.145   6.228
  200   2HB   LYS  55          2HB       LYS  55  -3.940 -16.764   7.529
  201   1HG   LYS  55          1HG       LYS  55  -5.808 -17.408   5.986
  202   2HG   LYS  55          2HG       LYS  55  -4.584 -17.990   4.859
  203   1HD   LYS  55          1HD       LYS  55  -5.019 -18.963   7.680
  204   2HD   LYS  55          2HD       LYS  55  -5.478 -19.814   6.204
  205   1HE   LYS  55          1HE       LYS  55  -2.669 -19.125   7.078
  206   2HE   LYS  55          2HE       LYS  55  -3.417 -20.722   7.129
  207   1HZ   LYS  55          1HZ       LYS  55  -2.067 -20.628   5.203
  208   2HZ   LYS  55          2HZ       LYS  55  -2.703 -19.133   4.728
  209   3HZ   LYS  55          3HZ       LYS  55  -3.674 -20.527   4.662
  210    H    GLN  56           H        GLN  56  -2.969 -13.460   4.706
  211    HA   GLN  56           HA       GLN  56  -1.196 -12.725   6.937
  212   1HB   GLN  56          1HB       GLN  56  -0.484 -12.692   3.995
  213   2HB   GLN  56          2HB       GLN  56   0.556 -12.168   5.311
  214   1HG   GLN  56          1HG       GLN  56   0.804 -14.375   6.115
  215   2HG   GLN  56          2HG       GLN  56  -0.486 -14.975   5.071
  216   1HE2  GLN  56          1HE2      GLN  56  -0.089 -15.261   2.875
  217   2HE2  GLN  56          2HE2      GLN  56   1.518 -15.318   2.236
  218    H    VAL  57           H        VAL  57  -1.403 -11.288   3.763
  219    HA   VAL  57           HA       VAL  57  -2.834  -8.970   4.826
  220    HB   VAL  57           HB       VAL  57  -1.375  -7.644   3.446
  221   1HG1  VAL  57          1HG1      VAL  57   0.151  -7.403   5.362
  222   2HG1  VAL  57          2HG1      VAL  57  -0.473  -8.913   6.026
  223   3HG1  VAL  57          3HG1      VAL  57  -1.536  -7.516   5.861
  224   1HG2  VAL  57          1HG2      VAL  57   0.303 -10.118   3.754
  225   2HG2  VAL  57          2HG2      VAL  57   0.975  -8.516   3.468
  226   3HG2  VAL  57          3HG2      VAL  57  -0.090  -9.246   2.270
  227    H    ILE  58           H        ILE  58  -1.542 -10.585   1.938
  228    HA   ILE  58           HA       ILE  58  -3.271  -9.158   0.154
  229    HB   ILE  58           HB       ILE  58  -1.201  -9.992  -0.404
  230   1HG1  ILE  58          1HG1      ILE  58  -3.532 -11.103  -1.961
  231   2HG1  ILE  58          2HG1      ILE  58  -2.858  -9.484  -2.110
  232   1HG2  ILE  58          1HG2      ILE  58  -1.185 -12.075   0.830
  233   2HG2  ILE  58          2HG2      ILE  58  -0.950 -12.388  -0.888
  234   3HG2  ILE  58          3HG2      ILE  58  -2.519 -12.692  -0.144
  235   1HD1  ILE  58          1HD1      ILE  58  -2.120 -10.909  -3.923
  236   2HD1  ILE  58          2HD1      ILE  58  -1.440 -12.055  -2.767
  237   3HD1  ILE  58          3HD1      ILE  58  -0.757 -10.435  -2.910
  238    H    GLY  59           H        GLY  59  -5.037 -10.045  -1.013
  239   1HA   GLY  59          1HA       GLY  59  -6.854 -11.449  -1.371
  240   2HA   GLY  59          2HA       GLY  59  -6.143 -12.602  -0.251
  241    H    LYS  60           H        LYS  60  -6.209  -9.547   1.070
  242    HA   LYS  60           HA       LYS  60  -8.245 -10.271   2.977
  243   1HB   LYS  60          1HB       LYS  60  -6.279  -9.152   3.787
  244   2HB   LYS  60          2HB       LYS  60  -6.447  -7.867   2.605
  245   1HG   LYS  60          1HG       LYS  60  -7.026  -7.097   4.825
  246   2HG   LYS  60          2HG       LYS  60  -8.429  -7.051   3.760
  247   1HD   LYS  60          1HD       LYS  60  -9.443  -8.856   4.815
  248   2HD   LYS  60          2HD       LYS  60  -7.927  -9.416   5.526
  249   1HE   LYS  60          1HE       LYS  60  -9.504  -8.357   7.152
  250   2HE   LYS  60          2HE       LYS  60  -7.910  -7.611   7.088
  251   1HZ   LYS  60          1HZ       LYS  60 -10.299  -6.561   5.658
  252   2HZ   LYS  60          2HZ       LYS  60  -8.786  -5.813   5.796
  253   3HZ   LYS  60          3HZ       LYS  60  -9.761  -6.002   7.164
  254    H    ASN  61           H        ASN  61 -10.324 -10.130   2.240
  255    HA   ASN  61           HA       ASN  61 -11.212  -7.474   1.386
  256   1HB   ASN  61          1HB       ASN  61 -11.591 -10.005  -0.185
  257   2HB   ASN  61          2HB       ASN  61 -12.796  -8.726  -0.269
  258   1HD2  ASN  61          1HD2      ASN  61 -10.958  -6.530  -0.095
  259   2HD2  ASN  61          2HD2      ASN  61 -10.076  -6.486  -1.576
  260    H    PHE  62           H        PHE  62 -12.271  -7.128   3.275
  261    HA   PHE  62           HA       PHE  62 -14.799  -8.513   3.586
  262   1HB   PHE  62          1HB       PHE  62 -13.029  -9.721   5.004
  263   2HB   PHE  62          2HB       PHE  62 -12.972  -8.258   5.980
  264    HD1  PHE  62           HD1      PHE  62 -14.406  -8.042   7.780
  265    HD2  PHE  62           HD2      PHE  62 -15.374 -10.779   4.673
  266    HE1  PHE  62           HE1      PHE  62 -16.313  -8.861   9.102
  267    HE2  PHE  62           HE2      PHE  62 -17.283 -11.603   5.987
  268    HZ   PHE  62           HZ       PHE  62 -17.754 -10.644   8.205
  269    H    PHE  63           H        PHE  63 -16.056  -6.767   3.375
  270    HA   PHE  63           HA       PHE  63 -15.062  -4.169   4.252
  271   1HB   PHE  63          1HB       PHE  63 -17.449  -4.937   2.565
  272   2HB   PHE  63          2HB       PHE  63 -16.964  -3.281   2.917
  273    HD1  PHE  63           HD1      PHE  63 -15.119  -2.262   1.776
  274    HD2  PHE  63           HD2      PHE  63 -16.074  -6.359   1.126
  275    HE1  PHE  63           HE1      PHE  63 -13.626  -2.294  -0.179
  276    HE2  PHE  63           HE2      PHE  63 -14.582  -6.397  -0.831
  277    HZ   PHE  63           HZ       PHE  63 -13.367  -4.338  -1.492
  278    H    LYS  64           H        LYS  64 -16.409  -6.348   6.004
  279    HA   LYS  64           HA       LYS  64 -18.311  -4.505   7.296
  280   1HB   LYS  64          1HB       LYS  64 -18.463  -7.517   7.090
  281   2HB   LYS  64          2HB       LYS  64 -19.453  -6.570   8.189
  282   1HG   LYS  64          1HG       LYS  64 -19.450  -6.342   5.187
  283   2HG   LYS  64          2HG       LYS  64 -20.665  -7.165   6.164
  284   1HD   LYS  64          1HD       LYS  64 -20.015  -4.218   6.199
  285   2HD   LYS  64          2HD       LYS  64 -21.467  -4.969   5.533
  286   1HE   LYS  64          1HE       LYS  64 -22.067  -5.767   7.771
  287   2HE   LYS  64          2HE       LYS  64 -20.624  -4.996   8.431
  288   1HZ   LYS  64          1HZ       LYS  64 -21.573  -2.868   7.456
  289   2HZ   LYS  64          2HZ       LYS  64 -22.347  -3.498   8.827
  290   3HZ   LYS  64          3HZ       LYS  64 -23.037  -3.718   7.292
  291    H    ASP  65           H        ASP  65 -18.426  -4.643   9.612
  292    HA   ASP  65           HA       ASP  65 -17.751  -5.079  11.743
  293   1HB   ASP  65          1HB       ASP  65 -17.503  -7.432  11.132
  294   2HB   ASP  65          2HB       ASP  65 -15.901  -7.115  10.482
  295    H    VAL  66           H        VAL  66 -14.944  -5.163   9.568
  296    HA   VAL  66           HA       VAL  66 -12.954  -4.097   9.562
  297    HB   VAL  66           HB       VAL  66 -14.341  -1.956  10.876
  298   1HG1  VAL  66          1HG1      VAL  66 -12.101  -2.129   8.857
  299   2HG1  VAL  66          2HG1      VAL  66 -11.933  -1.692  10.557
  300   3HG1  VAL  66          3HG1      VAL  66 -12.826  -0.638   9.460
  301   1HG2  VAL  66          1HG2      VAL  66 -14.416  -2.763   7.978
  302   2HG2  VAL  66          2HG2      VAL  66 -15.059  -1.269   8.661
  303   3HG2  VAL  66          3HG2      VAL  66 -15.772  -2.819   9.106
  304    H    ALA  67           H        ALA  67 -13.122  -5.783  11.661
  305    HA   ALA  67           HA       ALA  67 -11.677  -4.345  13.770
  306   1HB   ALA  67          1HB       ALA  67 -12.745  -7.168  13.808
  307   2HB   ALA  67          2HB       ALA  67 -13.483  -5.766  14.582
  308   3HB   ALA  67          3HB       ALA  67 -11.918  -6.355  15.139
  309    HA   PRO  68           HA       PRO  68  -8.499  -7.638  12.123
  310   1HB   PRO  68          1HB       PRO  68  -9.089  -8.691   9.675
  311   2HB   PRO  68          2HB       PRO  68  -9.456  -9.510  11.197
  312   1HG   PRO  68          1HG       PRO  68 -11.252  -7.870   9.452
  313   2HG   PRO  68          2HG       PRO  68 -11.584  -9.418  10.254
  314   1HD   PRO  68          1HD       PRO  68 -12.465  -7.092  11.263
  315   2HD   PRO  68          2HD       PRO  68 -11.924  -8.415  12.315
  316    H    CYS  69           H        CYS  69  -7.268  -5.857  11.793
  317    HA   CYS  69           HA       CYS  69  -7.345  -4.640   9.122
  318   1HB   CYS  69          1HB       CYS  69  -6.950  -2.407  10.184
  319   2HB   CYS  69          2HB       CYS  69  -8.542  -3.082  10.517
  320    H    THR  70           H        THR  70  -5.443  -4.831   8.207
  321    HA   THR  70           HA       THR  70  -3.078  -5.370   9.790
  322    HB   THR  70           HB       THR  70  -2.108  -5.294   7.563
  323    HG1  THR  70           HG1      THR  70  -3.816  -4.343   6.438
  324   1HG2  THR  70          1HG2      THR  70  -2.861  -7.590   7.228
  325   2HG2  THR  70          2HG2      THR  70  -4.151  -7.339   8.403
  326   3HG2  THR  70          3HG2      THR  70  -2.467  -7.284   8.920
  327    H    ASP  71           H        ASP  71  -3.768  -2.980  10.535
  328    HA   ASP  71           HA       ASP  71  -2.784  -0.881   8.833
  329   1HB   ASP  71          1HB       ASP  71  -4.661  -0.411  10.296
  330   2HB   ASP  71          2HB       ASP  71  -3.716  -0.855  11.712
  331    H    SER  72           H        SER  72  -0.650  -1.121   8.470
  332    HA   SER  72           HA       SER  72   1.091  -0.741  10.801
  333   1HB   SER  72          1HB       SER  72   1.173  -3.115   9.927
  334   2HB   SER  72          2HB       SER  72   1.804  -2.463   8.415
  335    HG   SER  72           HG       SER  72   3.693  -2.157   9.321
  336    HA   PRO  73           HA       PRO  73   2.329   2.748   8.331
  337   1HB   PRO  73          1HB       PRO  73   4.533   3.011  10.246
  338   2HB   PRO  73          2HB       PRO  73   3.186   4.107   9.936
  339   1HG   PRO  73          1HG       PRO  73   3.374   2.678  12.211
  340   2HG   PRO  73          2HG       PRO  73   1.812   3.062  11.465
  341   1HD   PRO  73          1HD       PRO  73   3.384   0.514  11.365
  342   2HD   PRO  73          2HD       PRO  73   1.636   0.752  11.577
  343    H    GLU  74           H        GLU  74   3.070   0.502   7.088
  344    HA   GLU  74           HA       GLU  74   5.863   0.058   6.890
  345   1HB   GLU  74          1HB       GLU  74   3.803  -0.415   4.726
  346   2HB   GLU  74          2HB       GLU  74   5.349  -1.225   4.919
  347   1HG   GLU  74          1HG       GLU  74   3.045  -1.445   6.841
  348   2HG   GLU  74          2HG       GLU  74   3.415  -2.606   5.570
  349    H    PHE  75           H        PHE  75   3.674   1.562   4.519
  350    HA   PHE  75           HA       PHE  75   5.674   3.638   3.993
  351   1HB   PHE  75          1HB       PHE  75   4.292   1.973   1.868
  352   2HB   PHE  75          2HB       PHE  75   5.261   3.406   1.547
  353    HD1  PHE  75           HD1      PHE  75   5.280  -0.131   2.076
  354    HD2  PHE  75           HD2      PHE  75   7.709   3.364   2.165
  355    HE1  PHE  75           HE1      PHE  75   7.293  -1.534   1.941
  356    HE2  PHE  75           HE2      PHE  75   9.729   1.964   2.027
  357    HZ   PHE  75           HZ       PHE  75   9.525  -0.486   1.915
  358    H    TYR  76           H        TYR  76   3.083   3.448   5.410
  359    HA   TYR  76           HA       TYR  76   0.996   4.539   3.853
  360   1HB   TYR  76          1HB       TYR  76   1.492   4.394   6.819
  361   2HB   TYR  76          2HB       TYR  76   0.074   5.201   6.164
  362    HD1  TYR  76           HD1      TYR  76   1.085   2.455   4.152
  363    HD2  TYR  76           HD2      TYR  76  -1.086   3.438   7.676
  364    HE1  TYR  76           HE1      TYR  76  -0.074   0.287   4.040
  365    HE2  TYR  76           HE2      TYR  76  -2.246   1.276   7.575
  366    HH   TYR  76           HH       TYR  76  -2.833  -0.418   5.896
  367    H    GLY  77           H        GLY  77   0.471   6.597   3.321
  368   1HA   GLY  77          1HA       GLY  77   1.974   8.774   4.626
  369   2HA   GLY  77          2HA       GLY  77   1.872   8.689   2.870
  370    H    LYS  78           H        LYS  78   0.271   9.539   5.788
  371    HA   LYS  78           HA       LYS  78  -1.661  10.654   6.255
  372   1HB   LYS  78          1HB       LYS  78  -1.670  11.158   3.270
  373   2HB   LYS  78          2HB       LYS  78  -2.817  11.873   4.389
  374   1HG   LYS  78          1HG       LYS  78  -1.089  13.122   5.464
  375   2HG   LYS  78          2HG       LYS  78   0.162  12.279   4.546
  376   1HD   LYS  78          1HD       LYS  78  -0.617  13.247   2.487
  377   2HD   LYS  78          2HD       LYS  78  -2.011  13.960   3.297
  378   1HE   LYS  78          1HE       LYS  78  -0.579  15.430   4.561
  379   2HE   LYS  78          2HE       LYS  78   0.860  14.651   3.900
  380   1HZ   LYS  78          1HZ       LYS  78  -1.149  15.964   2.166
  381   2HZ   LYS  78          2HZ       LYS  78   0.445  15.535   1.784
  382   3HZ   LYS  78          3HZ       LYS  78   0.145  16.824   2.848
  383    H    PHE  79           H        PHE  79  -1.636   7.780   5.634
  384    HA   PHE  79           HA       PHE  79  -3.466   7.033   3.678
  385   1HB   PHE  79          1HB       PHE  79  -1.767   5.557   4.799
  386   2HB   PHE  79          2HB       PHE  79  -2.867   5.442   6.169
  387    HD1  PHE  79           HD1      PHE  79  -4.694   3.943   6.139
  388    HD2  PHE  79           HD2      PHE  79  -2.511   4.724   2.570
  389    HE1  PHE  79           HE1      PHE  79  -5.887   2.110   5.010
  390    HE2  PHE  79           HE2      PHE  79  -3.701   2.894   1.434
  391    HZ   PHE  79           HZ       PHE  79  -5.393   1.591   2.650
  392    H    LYS  80           H        LYS  80  -4.064   8.088   6.958
  393    HA   LYS  80           HA       LYS  80  -6.707   6.898   7.029
  394   1HB   LYS  80          1HB       LYS  80  -5.190   8.639   8.959
  395   2HB   LYS  80          2HB       LYS  80  -6.897   8.294   9.182
  396   1HG   LYS  80          1HG       LYS  80  -5.724   6.765  10.531
  397   2HG   LYS  80          2HG       LYS  80  -6.297   5.852   9.136
  398   1HD   LYS  80          1HD       LYS  80  -4.067   6.096   8.103
  399   2HD   LYS  80          2HD       LYS  80  -3.512   6.930   9.557
  400   1HE   LYS  80          1HE       LYS  80  -2.838   4.623   9.658
  401   2HE   LYS  80          2HE       LYS  80  -4.080   4.914  10.874
  402   1HZ   LYS  80          1HZ       LYS  80  -5.706   3.863   9.504
  403   2HZ   LYS  80          2HZ       LYS  80  -4.358   2.826   9.585
  404   3HZ   LYS  80          3HZ       LYS  80  -4.630   3.758   8.201
  405    H    GLU  81           H        GLU  81  -5.238  10.032   6.532
  406    HA   GLU  81           HA       GLU  81  -7.759  11.411   6.402
  407   1HB   GLU  81          1HB       GLU  81  -5.534  12.436   7.104
  408   2HB   GLU  81          2HB       GLU  81  -5.083  12.396   5.404
  409   1HG   GLU  81          1HG       GLU  81  -5.877  14.585   5.945
  410   2HG   GLU  81          2HG       GLU  81  -7.057  13.800   4.898
  411    H    GLY  82           H        GLY  82  -5.533   9.845   4.283
  412   1HA   GLY  82          1HA       GLY  82  -6.209  10.817   1.809
  413   2HA   GLY  82          2HA       GLY  82  -5.619   9.213   2.134
  414    H    VAL  83           H        VAL  83  -7.586   8.232   3.692
  415    HA   VAL  83           HA       VAL  83  -9.427   7.321   1.725
  416    HB   VAL  83           HB       VAL  83  -9.422   7.141   4.591
  417   1HG1  VAL  83          1HG1      VAL  83 -10.942   5.605   2.481
  418   2HG1  VAL  83          2HG1      VAL  83 -11.642   6.725   3.651
  419   3HG1  VAL  83          3HG1      VAL  83 -10.900   5.223   4.203
  420   1HG2  VAL  83          1HG2      VAL  83  -8.397   5.319   2.428
  421   2HG2  VAL  83          2HG2      VAL  83  -8.460   4.943   4.150
  422   3HG2  VAL  83          3HG2      VAL  83  -7.419   6.243   3.569
  423    H    ALA  84           H        ALA  84  -9.796   9.390   4.598
  424    HA   ALA  84           HA       ALA  84 -12.635   9.521   4.185
  425   1HB   ALA  84          1HB       ALA  84 -10.940  10.932   6.238
  426   2HB   ALA  84          2HB       ALA  84 -11.697   9.352   6.448
  427   3HB   ALA  84          3HB       ALA  84 -12.699  10.791   6.255
  428    H    SER  85           H        SER  85  -9.881  11.563   3.639
  429    HA   SER  85           HA       SER  85 -11.423  13.874   2.936
  430   1HB   SER  85          1HB       SER  85  -9.008  14.005   3.531
  431   2HB   SER  85          2HB       SER  85  -8.616  13.125   2.057
  432    HG   SER  85           HG       SER  85  -8.588  14.998   1.139
  433    H    GLY  86           H        GLY  86 -10.456  10.942   1.388
  434   1HA   GLY  86          1HA       GLY  86 -11.431   9.944  -0.452
  435   2HA   GLY  86          2HA       GLY  86 -12.343  11.421  -0.734
  436    H    ASN  87           H        ASN  87  -8.951  11.705  -0.331
  437    HA   ASN  87           HA       ASN  87  -8.550  11.818  -3.207
  438   1HB   ASN  87          1HB       ASN  87  -7.502  14.061  -3.095
  439   2HB   ASN  87          2HB       ASN  87  -9.213  14.092  -2.693
  440   1HD2  ASN  87          1HD2      ASN  87  -8.787  16.126  -1.712
  441   2HD2  ASN  87          2HD2      ASN  87  -8.093  16.213  -0.123
  442    H    LEU  88           H        LEU  88  -7.599   9.937  -1.529
  443    HA   LEU  88           HA       LEU  88  -4.972  10.449  -0.624
  444   1HB   LEU  88          1HB       LEU  88  -6.710   8.430  -0.252
  445   2HB   LEU  88          2HB       LEU  88  -5.631   7.695  -1.425
  446    HG   LEU  88           HG       LEU  88  -4.773   8.975   1.116
  447   1HD1  LEU  88          1HD1      LEU  88  -5.152   6.055   0.469
  448   2HD1  LEU  88          2HD1      LEU  88  -6.097   7.005   1.615
  449   3HD1  LEU  88          3HD1      LEU  88  -4.395   6.670   1.940
  450   1HD2  LEU  88          1HD2      LEU  88  -2.632   7.856   0.727
  451   2HD2  LEU  88          2HD2      LEU  88  -3.035   8.962  -0.587
  452   3HD2  LEU  88          3HD2      LEU  88  -3.250   7.225  -0.802
  453    H    ASN  89           H        ASN  89  -3.959  11.495  -2.416
  454    HA   ASN  89           HA       ASN  89  -2.589   9.437  -3.929
  455   1HB   ASN  89          1HB       ASN  89  -2.790  10.457  -6.059
  456   2HB   ASN  89          2HB       ASN  89  -4.415  10.452  -5.396
  457   1HD2  ASN  89          1HD2      ASN  89  -5.392  12.393  -4.835
  458   2HD2  ASN  89          2HD2      ASN  89  -4.777  13.916  -5.371
  459    H    THR  90           H        THR  90  -0.638   9.594  -2.965
  460    HA   THR  90           HA       THR  90   0.502  12.286  -2.699
  461    HB   THR  90           HB       THR  90   1.514  11.457  -0.725
  462    HG1  THR  90           HG1      THR  90  -0.127   9.827   0.207
  463   1HG2  THR  90          1HG2      THR  90  -1.468  11.867  -0.804
  464   2HG2  THR  90          2HG2      THR  90  -0.245  13.136  -0.747
  465   3HG2  THR  90          3HG2      THR  90  -0.437  12.035   0.617
  466    H    MET  91           H        MET  91   2.723  12.401  -2.813
  467    HA   MET  91           HA       MET  91   4.113   9.881  -3.381
  468   1HB   MET  91          1HB       MET  91   5.772  11.290  -4.669
  469   2HB   MET  91          2HB       MET  91   4.197  11.090  -5.413
  470   1HG   MET  91          1HG       MET  91   4.593  13.312  -5.771
  471   2HG   MET  91          2HG       MET  91   3.680  13.372  -4.268
  472   1HE   MET  91          1HE       MET  91   8.267  13.788  -4.515
  473   2HE   MET  91          2HE       MET  91   7.223  13.575  -5.921
  474   3HE   MET  91          3HE       MET  91   7.420  12.261  -4.761
  475    H    PHE  92           H        PHE  92   5.761   9.393  -2.118
  476    HA   PHE  92           HA       PHE  92   6.802  11.447  -0.311
  477   1HB   PHE  92          1HB       PHE  92   4.856  10.199   0.756
  478   2HB   PHE  92          2HB       PHE  92   5.853   8.752   0.688
  479    HD1  PHE  92           HD1      PHE  92   5.353  11.991   2.285
  480    HD2  PHE  92           HD2      PHE  92   7.761   8.489   2.158
  481    HE1  PHE  92           HE1      PHE  92   6.351  12.604   4.452
  482    HE2  PHE  92           HE2      PHE  92   8.764   9.092   4.318
  483    HZ   PHE  92           HZ       PHE  92   8.059  11.150   5.469
  484    H    GLU  93           H        GLU  93   8.952  11.301  -0.187
  485    HA   GLU  93           HA       GLU  93  10.235   8.937  -1.307
  486   1HB   GLU  93          1HB       GLU  93  11.630  11.357  -0.126
  487   2HB   GLU  93          2HB       GLU  93  12.233  10.246  -1.340
  488   1HG   GLU  93          1HG       GLU  93   9.909  12.059  -1.870
  489   2HG   GLU  93          2HG       GLU  93  11.576  12.582  -2.086
  490    H    TYR  94           H        TYR  94  10.484   7.289   0.123
  491    HA   TYR  94           HA       TYR  94  10.831   7.996   2.958
  492   1HB   TYR  94          1HB       TYR  94   8.750   6.708   2.293
  493   2HB   TYR  94          2HB       TYR  94   9.809   5.360   1.891
  494    HD1  TYR  94           HD1      TYR  94  10.455   3.841   3.553
  495    HD2  TYR  94           HD2      TYR  94   8.858   7.615   4.686
  496    HE1  TYR  94           HE1      TYR  94  10.398   3.107   5.902
  497    HE2  TYR  94           HE2      TYR  94   8.798   6.895   7.033
  498    HH   TYR  94           HH       TYR  94  10.378   4.102   8.147
  499    H    THR  95           H        THR  95  12.956   8.020   3.279
  500    HA   THR  95           HA       THR  95  14.566   5.770   2.365
  501    HB   THR  95           HB       THR  95  15.390   7.992   3.970
  502    HG1  THR  95           HG1      THR  95  15.756   9.036   1.970
  503   1HG2  THR  95          1HG2      THR  95  17.510   7.530   2.880
  504   2HG2  THR  95          2HG2      THR  95  16.772   6.205   1.979
  505   3HG2  THR  95          3HG2      THR  95  16.926   6.100   3.733
  506    H    PHE  96           H        PHE  96  15.194   4.160   3.698
  507    HA   PHE  96           HA       PHE  96  14.227   4.115   6.407
  508   1HB   PHE  96          1HB       PHE  96  15.827   2.162   4.760
  509   2HB   PHE  96          2HB       PHE  96  15.486   1.888   6.465
  510    HD1  PHE  96           HD1      PHE  96  13.195   1.478   7.223
  511    HD2  PHE  96           HD2      PHE  96  14.124   1.941   3.099
  512    HE1  PHE  96           HE1      PHE  96  11.012   0.510   6.627
  513    HE2  PHE  96           HE2      PHE  96  11.946   0.974   2.493
  514    HZ   PHE  96           HZ       PHE  96  10.394   0.224   4.280
  515    H    ASP  97           H        ASP  97  17.200   4.846   4.813
  516    HA   ASP  97           HA       ASP  97  19.168   5.726   5.526
  517   1HB   ASP  97          1HB       ASP  97  17.765   7.153   6.978
  518   2HB   ASP  97          2HB       ASP  97  17.810   5.920   8.230
  519    H    TYR  98           H        TYR  98  21.023   5.271   7.159
  520    HA   TYR  98           HA       TYR  98  22.454   3.818   8.163
  521   1HB   TYR  98          1HB       TYR  98  20.544   3.521   9.754
  522   2HB   TYR  98          2HB       TYR  98  19.970   2.179   8.777
  523    HD1  TYR  98           HD1      TYR  98  20.490   0.059   9.534
  524    HD2  TYR  98           HD2      TYR  98  23.114   3.271  10.472
  525    HE1  TYR  98           HE1      TYR  98  21.894  -1.477  10.845
  526    HE2  TYR  98           HE2      TYR  98  24.520   1.749  11.785
  527    HH   TYR  98           HH       TYR  98  24.303  -0.377  12.982
  528    H    GLN  99           H        GLN  99  22.809   1.143   8.140
  529    HA   GLN  99           HA       GLN  99  23.194  -0.744   6.941
  530   1HB   GLN  99          1HB       GLN  99  21.195   0.396   4.976
  531   2HB   GLN  99          2HB       GLN  99  21.819  -1.248   4.961
  532   1HG   GLN  99          1HG       GLN  99  20.725  -1.789   6.980
  533   2HG   GLN  99          2HG       GLN  99  20.344  -0.099   7.310
  534   1HE2  GLN  99          1HE2      GLN  99  18.644   0.883   6.225
  535   2HE2  GLN  99          2HE2      GLN  99  17.464  -0.030   5.346
  536    H    MET 100           H        MET 100  23.839  -1.382   4.491
  537    HA   MET 100           HA       MET 100  26.192   0.026   3.903
  538   1HB   MET 100          1HB       MET 100  24.594  -1.761   2.052
  539   2HB   MET 100          2HB       MET 100  26.267  -1.281   1.820
  540   1HG   MET 100          1HG       MET 100  26.324  -3.473   2.664
  541   2HG   MET 100          2HG       MET 100  26.790  -2.421   3.998
  542   1HE   MET 100          1HE       MET 100  24.028  -4.721   2.472
  543   2HE   MET 100          2HE       MET 100  23.185  -3.173   2.532
  544   3HE   MET 100          3HE       MET 100  22.684  -4.492   3.590
  545    H    THR 101           H        THR 101  22.968   0.186   2.534
  546    HA   THR 101           HA       THR 101  23.590   2.876   1.619
  547    HB   THR 101           HB       THR 101  23.798   1.588  -0.198
  548    HG1  THR 101           HG1      THR 101  21.763   2.487  -1.292
  549   1HG2  THR 101          1HG2      THR 101  22.549  -0.378   0.435
  550   2HG2  THR 101          2HG2      THR 101  21.934   0.274  -1.084
  551   3HG2  THR 101          3HG2      THR 101  21.047   0.545   0.415
  552    HA   PRO 102           HA       PRO 102  19.808   3.656   3.778
  553   1HB   PRO 102          1HB       PRO 102  19.568   6.103   2.177
  554   2HB   PRO 102          2HB       PRO 102  19.801   5.931   3.918
  555   1HG   PRO 102          1HG       PRO 102  21.741   6.848   2.283
  556   2HG   PRO 102          2HG       PRO 102  22.095   5.895   3.737
  557   1HD   PRO 102          1HD       PRO 102  22.041   5.040   0.870
  558   2HD   PRO 102          2HD       PRO 102  23.171   4.579   2.161
  559    H    THR 103           H        THR 103  18.355   2.184   2.993
  560    HA   THR 103           HA       THR 103  17.455   1.912   0.384
  561    HB   THR 103           HB       THR 103  15.825   1.531   2.705
  562    HG1  THR 103           HG1      THR 103  18.225   0.272   1.863
  563   1HG2  THR 103          1HG2      THR 103  16.207   0.052   0.108
  564   2HG2  THR 103          2HG2      THR 103  14.824   1.060   0.537
  565   3HG2  THR 103          3HG2      THR 103  15.140  -0.432   1.424
  566    H    LYS 104           H        LYS 104  16.828   3.757  -0.642
  567    HA   LYS 104           HA       LYS 104  14.647   5.322   0.533
  568   1HB   LYS 104          1HB       LYS 104  16.698   6.547  -0.106
  569   2HB   LYS 104          2HB       LYS 104  16.490   5.996  -1.765
  570   1HG   LYS 104          1HG       LYS 104  14.326   7.166  -1.860
  571   2HG   LYS 104          2HG       LYS 104  14.616   7.786  -0.235
  572   1HD   LYS 104          1HD       LYS 104  16.522   9.027  -0.975
  573   2HD   LYS 104          2HD       LYS 104  16.470   8.257  -2.564
  574   1HE   LYS 104          1HE       LYS 104  14.391  10.107  -1.395
  575   2HE   LYS 104          2HE       LYS 104  15.538  10.500  -2.676
  576   1HZ   LYS 104          1HZ       LYS 104  13.492   8.366  -2.875
  577   2HZ   LYS 104          2HZ       LYS 104  14.505   8.905  -4.115
  578   3HZ   LYS 104          3HZ       LYS 104  13.290   9.922  -3.500
  579    H    VAL 105           H        VAL 105  12.691   4.802  -0.162
  580    HA   VAL 105           HA       VAL 105  12.380   4.152  -3.000
  581    HB   VAL 105           HB       VAL 105  10.335   3.258  -2.454
  582   1HG1  VAL 105          1HG1      VAL 105  12.280   1.869  -2.835
  583   2HG1  VAL 105          2HG1      VAL 105  11.319   1.190  -1.522
  584   3HG1  VAL 105          3HG1      VAL 105  12.795   2.083  -1.161
  585   1HG2  VAL 105          1HG2      VAL 105  11.293   3.582   0.380
  586   2HG2  VAL 105          2HG2      VAL 105   9.914   2.609  -0.133
  587   3HG2  VAL 105          3HG2      VAL 105   9.887   4.358  -0.351
  588    H    LYS 106           H        LYS 106  10.412   4.878  -3.982
  589    HA   LYS 106           HA       LYS 106   9.484   7.427  -2.830
  590   1HB   LYS 106          1HB       LYS 106  10.747   7.489  -5.048
  591   2HB   LYS 106          2HB       LYS 106   9.387   6.619  -5.745
  592   1HG   LYS 106          1HG       LYS 106   7.922   8.505  -4.951
  593   2HG   LYS 106          2HG       LYS 106   9.403   9.387  -4.572
  594   1HD   LYS 106          1HD       LYS 106   8.463   8.425  -7.269
  595   2HD   LYS 106          2HD       LYS 106   8.686  10.090  -6.736
  596   1HE   LYS 106          1HE       LYS 106  10.857   8.034  -7.127
  597   2HE   LYS 106          2HE       LYS 106  10.502   9.387  -8.196
  598   1HZ   LYS 106          1HZ       LYS 106  10.931  10.280  -5.525
  599   2HZ   LYS 106          2HZ       LYS 106  11.738  10.724  -6.954
  600   3HZ   LYS 106          3HZ       LYS 106  12.251   9.365  -6.076
  601    H    VAL 107           H        VAL 107   7.476   7.259  -2.047
  602    HA   VAL 107           HA       VAL 107   5.827   5.015  -2.971
  603    HB   VAL 107           HB       VAL 107   4.828   6.981  -1.186
  604   1HG1  VAL 107          1HG1      VAL 107   3.818   4.968  -0.229
  605   2HG1  VAL 107          2HG1      VAL 107   4.663   3.977  -1.417
  606   3HG1  VAL 107          3HG1      VAL 107   3.447   5.140  -1.945
  607   1HG2  VAL 107          1HG2      VAL 107   5.886   5.798   0.692
  608   2HG2  VAL 107          2HG2      VAL 107   7.055   6.666  -0.301
  609   3HG2  VAL 107          3HG2      VAL 107   6.900   4.915  -0.447
  610    H    HIS 108           H        HIS 108   3.976   5.242  -4.148
  611    HA   HIS 108           HA       HIS 108   2.801   7.911  -4.180
  612   1HB   HIS 108          1HB       HIS 108   4.153   7.555  -6.309
  613   2HB   HIS 108          2HB       HIS 108   3.012   6.280  -6.718
  614    HD1  HIS 108           HD1      HIS 108   2.217   7.616  -8.816
  615    HD2  HIS 108           HD2      HIS 108   1.624   9.592  -5.208
  616    HE1  HIS 108           HE1      HIS 108   0.648   9.510  -9.331
  617    HE2  HIS 108           HE2      HIS 108   0.491  10.816  -7.181
  618    H    MET 109           H        MET 109   1.131   7.431  -2.996
  619    HA   MET 109           HA       MET 109  -0.520   5.109  -3.631
  620   1HB   MET 109          1HB       MET 109  -0.698   7.236  -1.477
  621   2HB   MET 109          2HB       MET 109  -1.911   5.985  -1.706
  622   1HG   MET 109          1HG       MET 109  -0.210   4.275  -1.284
  623   2HG   MET 109          2HG       MET 109   0.984   5.544  -1.021
  624   1HE   MET 109          1HE       MET 109   0.236   3.942   2.535
  625   2HE   MET 109          2HE       MET 109   1.485   4.247   1.329
  626   3HE   MET 109          3HE       MET 109   0.181   3.115   0.977
  627    H    LYS 110           H        LYS 110  -2.580   5.339  -4.554
  628    HA   LYS 110           HA       LYS 110  -3.393   8.036  -5.209
  629   1HB   LYS 110          1HB       LYS 110  -3.473   7.596  -7.652
  630   2HB   LYS 110          2HB       LYS 110  -1.847   7.675  -6.997
  631   1HG   LYS 110          1HG       LYS 110  -1.832   5.175  -6.951
  632   2HG   LYS 110          2HG       LYS 110  -3.366   5.218  -7.823
  633   1HD   LYS 110          1HD       LYS 110  -2.239   6.587  -9.584
  634   2HD   LYS 110          2HD       LYS 110  -0.711   6.311  -8.747
  635   1HE   LYS 110          1HE       LYS 110  -0.812   4.706 -10.477
  636   2HE   LYS 110          2HE       LYS 110  -1.177   3.836  -8.985
  637   1HZ   LYS 110          1HZ       LYS 110  -3.128   4.794 -11.007
  638   2HZ   LYS 110          2HZ       LYS 110  -3.557   4.086  -9.531
  639   3HZ   LYS 110          3HZ       LYS 110  -2.710   3.180 -10.692
  640    H    LYS 111           H        LYS 111  -5.441   8.219  -5.106
  641    HA   LYS 111           HA       LYS 111  -7.279   6.281  -4.625
  642   1HB   LYS 111          1HB       LYS 111  -7.593   8.621  -4.264
  643   2HB   LYS 111          2HB       LYS 111  -7.443   8.961  -5.973
  644   1HG   LYS 111          1HG       LYS 111  -9.569   7.708  -6.342
  645   2HG   LYS 111          2HG       LYS 111  -9.731   7.588  -4.583
  646   1HD   LYS 111          1HD       LYS 111  -9.675  10.011  -4.395
  647   2HD   LYS 111          2HD       LYS 111  -9.467  10.162  -6.138
  648   1HE   LYS 111          1HE       LYS 111 -11.729  10.521  -5.926
  649   2HE   LYS 111          2HE       LYS 111 -11.697   8.781  -6.203
  650   1HZ   LYS 111          1HZ       LYS 111 -13.154   9.472  -4.346
  651   2HZ   LYS 111          2HZ       LYS 111 -11.790  10.041  -3.519
  652   3HZ   LYS 111          3HZ       LYS 111 -11.940   8.389  -3.866
  653    H    ALA 112           H        ALA 112  -7.970   4.651  -5.785
  654    HA   ALA 112           HA       ALA 112  -7.136   4.022  -8.341
  655   1HB   ALA 112          1HB       ALA 112  -7.980   2.390  -6.724
  656   2HB   ALA 112          2HB       ALA 112  -8.768   2.231  -8.292
  657   3HB   ALA 112          3HB       ALA 112  -9.615   3.009  -6.955
  658    H    LEU 113           H        LEU 113  -8.176   3.989 -10.373
  659    HA   LEU 113           HA       LEU 113  -9.510   6.369 -11.025
  660   1HB   LEU 113          1HB       LEU 113  -9.545   5.613 -13.253
  661   2HB   LEU 113          2HB       LEU 113  -8.078   4.966 -12.552
  662    HG   LEU 113           HG       LEU 113 -10.622   3.378 -12.948
  663   1HD1  LEU 113          1HD1      LEU 113  -9.437   2.304 -14.797
  664   2HD1  LEU 113          2HD1      LEU 113  -8.093   3.427 -14.585
  665   3HD1  LEU 113          3HD1      LEU 113  -9.673   4.028 -15.087
  666   1HD2  LEU 113          1HD2      LEU 113  -7.826   2.475 -12.258
  667   2HD2  LEU 113          2HD2      LEU 113  -9.227   1.434 -12.520
  668   3HD2  LEU 113          3HD2      LEU 113  -9.191   2.532 -11.142
  669    H    SER 114           H        SER 114 -10.718   3.247 -10.109
  670    HA   SER 114           HA       SER 114 -13.409   3.744 -10.994
  671   1HB   SER 114          1HB       SER 114 -13.848   1.689  -9.504
  672   2HB   SER 114          2HB       SER 114 -12.801   1.457 -10.907
  673    HG   SER 114           HG       SER 114 -12.228   0.901  -8.426
  674    H    GLY 115           H        GLY 115 -11.863   3.447  -7.789
  675   1HA   GLY 115          1HA       GLY 115 -12.271   5.444  -6.318
  676   2HA   GLY 115          2HA       GLY 115 -13.966   5.228  -6.731
  677    H    ASP 116           H        ASP 116 -13.281   5.305  -4.137
  678    HA   ASP 116           HA       ASP 116 -13.550   4.251  -2.158
  679   1HB   ASP 116          1HB       ASP 116 -15.616   3.445  -3.400
  680   2HB   ASP 116          2HB       ASP 116 -14.739   1.953  -3.719
  681    H    SER 117           H        SER 117 -11.179   3.925  -3.630
  682    HA   SER 117           HA       SER 117  -9.858   1.903  -2.151
  683   1HB   SER 117          1HB       SER 117  -9.092   0.634  -4.237
  684   2HB   SER 117          2HB       SER 117 -10.711   0.309  -3.626
  685    HG   SER 117           HG       SER 117 -11.533   1.705  -5.226
  686    H    TYR 118           H        TYR 118  -7.570   1.938  -2.515
  687    HA   TYR 118           HA       TYR 118  -6.553   4.175  -4.119
  688   1HB   TYR 118          1HB       TYR 118  -5.910   3.866  -1.169
  689   2HB   TYR 118          2HB       TYR 118  -5.379   5.163  -2.242
  690    HD1  TYR 118           HD1      TYR 118  -7.998   3.949  -0.108
  691    HD2  TYR 118           HD2      TYR 118  -7.010   6.793  -3.075
  692    HE1  TYR 118           HE1      TYR 118  -9.995   5.260   0.517
  693    HE2  TYR 118           HE2      TYR 118  -8.997   8.134  -2.479
  694    HH   TYR 118           HH       TYR 118 -10.788   7.617   0.341
  695    H    TRP 119           H        TRP 119  -4.463   3.851  -4.877
  696    HA   TRP 119           HA       TRP 119  -3.446   1.157  -4.559
  697   1HB   TRP 119          1HB       TRP 119  -2.628   3.492  -6.283
  698   2HB   TRP 119          2HB       TRP 119  -1.768   1.943  -6.265
  699    HD1  TRP 119           HD1      TRP 119  -5.398   3.191  -6.948
  700    HE1  TRP 119           HE1      TRP 119  -6.336   1.747  -8.878
  701    HE3  TRP 119           HE3      TRP 119  -1.412   0.104  -7.654
  702    HZ2  TRP 119           HZ2      TRP 119  -5.468  -0.422 -10.480
  703    HZ3  TRP 119           HZ3      TRP 119  -1.519  -1.604  -9.377
  704    HH2  TRP 119           HH2      TRP 119  -3.507  -1.873 -10.784
  705    H    VAL 120           H        VAL 120  -1.229   0.776  -4.243
  706    HA   VAL 120           HA       VAL 120   0.375   2.824  -2.891
  707    HB   VAL 120           HB       VAL 120  -0.004   0.096  -2.041
  708   1HG1  VAL 120          1HG1      VAL 120   1.676   2.369  -0.972
  709   2HG1  VAL 120          2HG1      VAL 120   2.266   0.863  -1.673
  710   3HG1  VAL 120          3HG1      VAL 120   1.400   0.840  -0.137
  711   1HG2  VAL 120          1HG2      VAL 120  -0.923   2.678  -0.805
  712   2HG2  VAL 120          2HG2      VAL 120  -0.979   1.095  -0.032
  713   3HG2  VAL 120          3HG2      VAL 120  -1.944   1.406  -1.475
  714    H    PHE 121           H        PHE 121   1.776   2.925  -4.679
  715    HA   PHE 121           HA       PHE 121   3.260   0.429  -5.129
  716   1HB   PHE 121          1HB       PHE 121   3.331   0.769  -7.410
  717   2HB   PHE 121          2HB       PHE 121   1.712   1.283  -6.975
  718    HD1  PHE 121           HD1      PHE 121   0.961   3.473  -7.379
  719    HD2  PHE 121           HD2      PHE 121   5.046   2.461  -7.961
  720    HE1  PHE 121           HE1      PHE 121   1.330   5.637  -8.493
  721    HE2  PHE 121           HE2      PHE 121   5.430   4.617  -9.083
  722    HZ   PHE 121           HZ       PHE 121   3.503   6.137  -9.503
  723    H    VAL 122           H        VAL 122   5.463   0.562  -5.189
  724    HA   VAL 122           HA       VAL 122   6.602   3.162  -4.403
  725    HB   VAL 122           HB       VAL 122   8.325   1.952  -3.455
  726   1HG1  VAL 122          1HG1      VAL 122   6.513   2.904  -2.157
  727   2HG1  VAL 122          2HG1      VAL 122   6.995   1.349  -1.481
  728   3HG1  VAL 122          3HG1      VAL 122   5.525   1.472  -2.449
  729   1HG2  VAL 122          1HG2      VAL 122   7.996  -0.388  -2.926
  730   2HG2  VAL 122          2HG2      VAL 122   8.078  -0.152  -4.670
  731   3HG2  VAL 122          3HG2      VAL 122   6.520  -0.416  -3.890
  732    H    LYS 123           H        LYS 123   8.858   3.473  -4.932
  733    HA   LYS 123           HA       LYS 123   9.886   2.020  -7.220
  734   1HB   LYS 123          1HB       LYS 123   8.277   3.862  -7.994
  735   2HB   LYS 123          2HB       LYS 123   9.473   5.001  -7.404
  736   1HG   LYS 123          1HG       LYS 123  11.096   4.173  -8.986
  737   2HG   LYS 123          2HG       LYS 123   9.962   2.933  -9.534
  738   1HD   LYS 123          1HD       LYS 123   8.393   4.752 -10.187
  739   2HD   LYS 123          2HD       LYS 123   9.641   5.925  -9.769
  740   1HE   LYS 123          1HE       LYS 123  11.121   4.916 -11.447
  741   2HE   LYS 123          2HE       LYS 123   9.840   3.782 -11.877
  742   1HZ   LYS 123          1HZ       LYS 123   8.448   5.654 -12.528
  743   2HZ   LYS 123          2HZ       LYS 123   9.904   5.660 -13.400
  744   3HZ   LYS 123          3HZ       LYS 123   9.683   6.739 -12.112
  745    H    ARG 124           H        ARG 124  12.033   1.763  -6.833
  746    HA   ARG 124           HA       ARG 124  13.220   3.253  -4.682
  747   1HB   ARG 124          1HB       ARG 124  15.211   1.822  -5.060
  748   2HB   ARG 124          2HB       ARG 124  13.731   0.910  -4.807
  749   1HG   ARG 124          1HG       ARG 124  13.561   0.545  -7.228
  750   2HG   ARG 124          2HG       ARG 124  15.076   1.425  -7.452
  751   1HD   ARG 124          1HD       ARG 124  16.191  -0.238  -5.982
  752   2HD   ARG 124          2HD       ARG 124  14.680  -1.146  -5.927
  753    HE   ARG 124           HE       ARG 124  16.473  -0.859  -8.218
  754   1HH1  ARG 124          1HH1      ARG 124  13.492  -2.139  -6.901
  755   2HH1  ARG 124          2HH1      ARG 124  13.248  -3.263  -8.200
  756   1HH2  ARG 124          1HH2      ARG 124  16.182  -2.339  -9.900
  757   2HH2  ARG 124          2HH2      ARG 124  14.809  -3.412  -9.890
  758    H    VAL 125           H        VAL 125  13.391   5.341  -5.315
  759    HA   VAL 125           HA       VAL 125  15.757   6.063  -6.649
  760    HB   VAL 125           HB       VAL 125  14.691   5.636  -8.506
  761   1HG1  VAL 125          1HG1      VAL 125  12.574   6.670  -9.164
  762   2HG1  VAL 125          2HG1      VAL 125  12.406   7.349  -7.546
  763   3HG1  VAL 125          3HG1      VAL 125  12.377   5.600  -7.777
  764   1HG2  VAL 125          1HG2      VAL 125  14.700   8.591  -7.980
  765   2HG2  VAL 125          2HG2      VAL 125  14.690   7.829  -9.570
  766   3HG2  VAL 125          3HG2      VAL 125  16.069   7.605  -8.495
  767    H2   HC4 169           H2       HC4 169  -9.814  -1.976  11.931
  768    H3   HC4 169           H3       HC4 169 -11.035  -0.185  12.006
  769    H2'  HC4 169           H2'      HC4 169 -11.644   2.123  12.325
  770    H3'  HC4 169           H3'      HC4 169 -11.216   4.417  13.080
  771    H5'  HC4 169           H5'      HC4 169  -7.212   3.339  14.045
  772    H6'  HC4 169           H6'      HC4 169  -7.667   1.036  13.340
  773   'HO4  HC4 169          'HO4      HC4 169  -9.689   5.666  14.475
  Start of MODEL   14
    1    H    LEU  26           H        LEU  26  10.880  -7.731 -10.295
    2    HA   LEU  26           HA       LEU  26  10.606  -5.621  -8.240
    3   1HB   LEU  26          1HB       LEU  26   9.036  -6.313 -10.717
    4   2HB   LEU  26          2HB       LEU  26   8.383  -5.304  -9.442
    5    HG   LEU  26           HG       LEU  26  10.855  -4.663 -11.055
    6   1HD1  LEU  26          1HD1      LEU  26   9.478  -3.003 -12.166
    7   2HD1  LEU  26          2HD1      LEU  26   8.075  -3.499 -11.218
    8   3HD1  LEU  26          3HD1      LEU  26   8.787  -4.611 -12.388
    9   1HD2  LEU  26          1HD2      LEU  26  10.637  -2.446 -10.021
   10   2HD2  LEU  26          2HD2      LEU  26  10.907  -3.701  -8.814
   11   3HD2  LEU  26          3HD2      LEU  26   9.290  -3.036  -9.045
   12    H    ALA  27           H        ALA  27  10.219  -6.781  -6.403
   13    HA   ALA  27           HA       ALA  27   8.108  -8.800  -6.427
   14   1HB   ALA  27          1HB       ALA  27   9.802  -7.725  -4.161
   15   2HB   ALA  27          2HB       ALA  27  10.041  -9.249  -5.015
   16   3HB   ALA  27          3HB       ALA  27   8.609  -9.016  -4.013
   17    H    PHE  28           H        PHE  28   8.869  -5.685  -4.912
   18    HA   PHE  28           HA       PHE  28   5.986  -5.140  -4.671
   19   1HB   PHE  28          1HB       PHE  28   8.370  -3.795  -3.370
   20   2HB   PHE  28          2HB       PHE  28   6.706  -3.254  -3.188
   21    HD1  PHE  28           HD1      PHE  28   9.194  -5.726  -2.218
   22    HD2  PHE  28           HD2      PHE  28   5.112  -4.570  -1.886
   23    HE1  PHE  28           HE1      PHE  28   8.920  -7.255  -0.313
   24    HE2  PHE  28           HE2      PHE  28   4.832  -6.097   0.023
   25    HZ   PHE  28           HZ       PHE  28   6.744  -7.418   0.830
   26    H    GLY  29           H        GLY  29   5.185  -3.144  -5.495
   27   1HA   GLY  29          1HA       GLY  29   6.710  -1.204  -6.804
   28   2HA   GLY  29          2HA       GLY  29   6.251  -2.409  -7.999
   29    H    ALA  30           H        ALA  30   3.739  -3.049  -7.541
   30    HA   ALA  30           HA       ALA  30   2.224  -0.576  -7.161
   31   1HB   ALA  30          1HB       ALA  30   1.081  -0.795  -9.289
   32   2HB   ALA  30          2HB       ALA  30   2.038  -2.224  -9.682
   33   3HB   ALA  30          3HB       ALA  30   2.821  -0.648  -9.544
   34    H    ILE  31           H        ILE  31   0.813  -1.187  -5.644
   35    HA   ILE  31           HA       ILE  31  -0.892  -3.485  -6.277
   36    HB   ILE  31           HB       ILE  31   0.398  -4.190  -4.684
   37   1HG1  ILE  31          1HG1      ILE  31  -2.328  -3.379  -3.796
   38   2HG1  ILE  31          2HG1      ILE  31  -1.752  -4.936  -4.377
   39   1HG2  ILE  31          1HG2      ILE  31  -0.202  -1.655  -3.174
   40   2HG2  ILE  31          2HG2      ILE  31   1.355  -2.127  -3.856
   41   3HG2  ILE  31          3HG2      ILE  31   0.665  -3.043  -2.516
   42   1HD1  ILE  31          1HD1      ILE  31  -2.219  -4.981  -1.992
   43   2HD1  ILE  31          2HD1      ILE  31  -1.047  -3.688  -1.737
   44   3HD1  ILE  31          3HD1      ILE  31  -0.508  -5.264  -2.319
   45    H    GLN  32           H        GLN  32  -3.045  -3.159  -6.001
   46    HA   GLN  32           HA       GLN  32  -3.803  -0.550  -4.887
   47   1HB   GLN  32          1HB       GLN  32  -5.879  -0.669  -6.102
   48   2HB   GLN  32          2HB       GLN  32  -4.527  -0.830  -7.203
   49   1HG   GLN  32          1HG       GLN  32  -4.919  -3.103  -7.542
   50   2HG   GLN  32          2HG       GLN  32  -6.015  -3.211  -6.166
   51   1HE2  GLN  32          1HE2      GLN  32  -7.465  -0.753  -6.880
   52   2HE2  GLN  32          2HE2      GLN  32  -8.410  -1.148  -8.264
   53    H    LEU  33           H        LEU  33  -4.891  -0.444  -3.110
   54    HA   LEU  33           HA       LEU  33  -6.264  -2.888  -2.170
   55   1HB   LEU  33          1HB       LEU  33  -5.860  -2.038   0.147
   56   2HB   LEU  33          2HB       LEU  33  -4.437  -2.588  -0.706
   57    HG   LEU  33           HG       LEU  33  -4.037  -0.095  -1.243
   58   1HD1  LEU  33          1HD1      LEU  33  -6.204   0.755  -0.545
   59   2HD1  LEU  33          2HD1      LEU  33  -4.908   1.462   0.420
   60   3HD1  LEU  33          3HD1      LEU  33  -5.912   0.181   1.098
   61   1HD2  LEU  33          1HD2      LEU  33  -2.892   0.213   0.921
   62   2HD2  LEU  33          2HD2      LEU  33  -2.612  -1.377   0.212
   63   3HD2  LEU  33          3HD2      LEU  33  -3.751  -1.197   1.546
   64    H    ASP  34           H        ASP  34  -8.136  -2.508  -0.867
   65    HA   ASP  34           HA       ASP  34  -9.786  -0.444  -2.002
   66   1HB   ASP  34          1HB       ASP  34 -11.424  -1.867  -1.449
   67   2HB   ASP  34          2HB       ASP  34 -10.204  -2.947  -0.793
   68    H    GLY  35           H        GLY  35 -10.938   1.140  -0.781
   69   1HA   GLY  35          1HA       GLY  35  -9.040   2.607   0.823
   70   2HA   GLY  35          2HA       GLY  35 -10.592   3.190   0.240
   71    H    ASP  36           H        ASP  36 -10.002   0.290   2.061
   72    HA   ASP  36           HA       ASP  36 -11.205   1.473   4.451
   73   1HB   ASP  36          1HB       ASP  36 -13.085   0.560   3.317
   74   2HB   ASP  36          2HB       ASP  36 -12.221  -0.922   2.926
   75    H    GLY  37           H        GLY  37  -9.431  -1.186   2.941
   76   1HA   GLY  37          1HA       GLY  37  -7.268  -1.358   4.407
   77   2HA   GLY  37          2HA       GLY  37  -8.413  -1.969   5.589
   78    H    ASN  38           H        ASN  38  -9.240  -2.783   2.411
   79    HA   ASN  38           HA       ASN  38  -8.325  -5.547   2.872
   80   1HB   ASN  38          1HB       ASN  38 -10.516  -4.542   1.034
   81   2HB   ASN  38          2HB       ASN  38 -10.155  -6.220   1.410
   82   1HD2  ASN  38          1HD2      ASN  38 -11.468  -3.224   2.621
   83   2HD2  ASN  38          2HD2      ASN  38 -12.320  -3.915   3.964
   84    H    ILE  39           H        ILE  39  -7.213  -6.653   1.252
   85    HA   ILE  39           HA       ILE  39  -5.851  -5.014  -0.686
   86    HB   ILE  39           HB       ILE  39  -5.970  -7.864  -0.245
   87   1HG1  ILE  39          1HG1      ILE  39  -5.007  -6.609   1.585
   88   2HG1  ILE  39          2HG1      ILE  39  -3.754  -7.475   0.706
   89   1HG2  ILE  39          1HG2      ILE  39  -5.415  -7.404  -2.575
   90   2HG2  ILE  39          2HG2      ILE  39  -3.983  -7.927  -1.689
   91   3HG2  ILE  39          3HG2      ILE  39  -4.209  -6.220  -2.069
   92   1HD1  ILE  39          1HD1      ILE  39  -4.376  -4.540   0.482
   93   2HD1  ILE  39          2HD1      ILE  39  -3.141  -5.398  -0.438
   94   3HD1  ILE  39          3HD1      ILE  39  -2.999  -5.264   1.315
   95    H    LEU  40           H        LEU  40  -6.203  -4.871  -2.844
   96    HA   LEU  40           HA       LEU  40  -8.807  -5.905  -3.750
   97   1HB   LEU  40          1HB       LEU  40  -8.083  -3.361  -3.552
   98   2HB   LEU  40          2HB       LEU  40  -7.316  -3.683  -5.091
   99    HG   LEU  40           HG       LEU  40  -9.430  -2.662  -5.470
  100   1HD1  LEU  40          1HD1      LEU  40 -10.569  -4.325  -6.853
  101   2HD1  LEU  40          2HD1      LEU  40  -9.585  -5.590  -6.118
  102   3HD1  LEU  40          3HD1      LEU  40  -8.822  -4.336  -7.096
  103   1HD2  LEU  40          1HD2      LEU  40 -10.527  -3.195  -3.379
  104   2HD2  LEU  40          2HD2      LEU  40 -10.621  -4.895  -3.841
  105   3HD2  LEU  40          3HD2      LEU  40 -11.541  -3.687  -4.736
  106    H    GLN  41           H        GLN  41  -5.747  -4.830  -5.139
  107    HA   GLN  41           HA       GLN  41  -5.432  -7.391  -6.518
  108   1HB   GLN  41          1HB       GLN  41  -6.604  -5.942  -8.135
  109   2HB   GLN  41          2HB       GLN  41  -5.332  -4.741  -7.974
  110   1HG   GLN  41          1HG       GLN  41  -3.737  -6.583  -8.742
  111   2HG   GLN  41          2HG       GLN  41  -5.189  -7.453  -9.234
  112   1HE2  GLN  41          1HE2      GLN  41  -4.690  -7.368 -11.410
  113   2HE2  GLN  41          2HE2      GLN  41  -4.748  -5.902 -12.328
  114    H    TYR  42           H        TYR  42  -3.533  -8.038  -5.794
  115    HA   TYR  42           HA       TYR  42  -1.383  -6.087  -5.385
  116   1HB   TYR  42          1HB       TYR  42  -1.960  -7.566  -3.495
  117   2HB   TYR  42          2HB       TYR  42  -1.631  -8.972  -4.496
  118    HD1  TYR  42           HD1      TYR  42   0.191 -10.033  -3.512
  119    HD2  TYR  42           HD2      TYR  42   0.307  -5.822  -4.085
  120    HE1  TYR  42           HE1      TYR  42   2.546 -10.007  -2.800
  121    HE2  TYR  42           HE2      TYR  42   2.659  -5.780  -3.376
  122    HH   TYR  42           HH       TYR  42   4.539  -8.584  -3.082
  123    H    ASN  43           H        ASN  43  -0.096  -5.819  -7.111
  124    HA   ASN  43           HA       ASN  43   0.148  -7.999  -9.038
  125   1HB   ASN  43          1HB       ASN  43   1.187  -5.166  -9.261
  126   2HB   ASN  43          2HB       ASN  43   1.105  -6.358 -10.552
  127   1HD2  ASN  43          1HD2      ASN  43  -0.599  -4.006  -8.727
  128   2HD2  ASN  43          2HD2      ASN  43  -2.092  -4.092  -9.604
  129    H    ALA  44           H        ALA  44   1.546  -9.410  -8.084
  130    HA   ALA  44           HA       ALA  44   4.336  -8.516  -7.955
  131   1HB   ALA  44          1HB       ALA  44   3.489  -8.565  -5.646
  132   2HB   ALA  44          2HB       ALA  44   4.723  -9.795  -5.920
  133   3HB   ALA  44          3HB       ALA  44   3.021 -10.252  -5.864
  134    H    ALA  45           H        ALA  45   5.719  -9.902  -8.905
  135    HA   ALA  45           HA       ALA  45   4.587 -12.149 -10.313
  136   1HB   ALA  45          1HB       ALA  45   7.414 -11.097 -10.290
  137   2HB   ALA  45          2HB       ALA  45   6.152 -10.653 -11.439
  138   3HB   ALA  45          3HB       ALA  45   6.768 -12.306 -11.400
  139    H    GLU  46           H        GLU  46   4.102 -13.672  -8.766
  140    HA   GLU  46           HA       GLU  46   6.418 -14.924  -7.445
  141   1HB   GLU  46          1HB       GLU  46   4.948 -13.948  -5.780
  142   2HB   GLU  46          2HB       GLU  46   3.549 -14.723  -6.506
  143   1HG   GLU  46          1HG       GLU  46   4.085 -15.948  -4.565
  144   2HG   GLU  46          2HG       GLU  46   4.586 -16.926  -5.940
  145    H    GLY  47           H        GLY  47   6.832 -16.958  -8.063
  146   1HA   GLY  47          1HA       GLY  47   5.013 -18.304  -9.881
  147   2HA   GLY  47          2HA       GLY  47   6.614 -18.858  -9.397
  148    H    ASP  48           H        ASP  48   3.437 -18.230  -7.938
  149    HA   ASP  48           HA       ASP  48   3.981 -20.250  -5.911
  150   1HB   ASP  48          1HB       ASP  48   3.061 -18.014  -5.289
  151   2HB   ASP  48          2HB       ASP  48   1.595 -18.409  -6.180
  152    H    ILE  49           H        ILE  49   3.731 -22.204  -6.806
  153    HA   ILE  49           HA       ILE  49   1.287 -22.869  -8.256
  154    HB   ILE  49           HB       ILE  49   3.511 -24.478  -7.382
  155   1HG1  ILE  49          1HG1      ILE  49   2.897 -23.165 -10.029
  156   2HG1  ILE  49          2HG1      ILE  49   4.166 -22.677  -8.911
  157   1HG2  ILE  49          1HG2      ILE  49   2.626 -26.033  -9.083
  158   2HG2  ILE  49          2HG2      ILE  49   1.226 -24.980  -9.287
  159   3HG2  ILE  49          3HG2      ILE  49   1.503 -25.789  -7.745
  160   1HD1  ILE  49          1HD1      ILE  49   3.996 -25.323 -10.339
  161   2HD1  ILE  49          2HD1      ILE  49   5.270 -24.830  -9.222
  162   3HD1  ILE  49          3HD1      ILE  49   5.062 -23.980 -10.753
  163    H    THR  50           H        THR  50   3.070 -24.021  -5.412
  164    HA   THR  50           HA       THR  50   0.645 -24.035  -3.869
  165    HB   THR  50           HB       THR  50   0.658 -26.095  -4.889
  166    HG1  THR  50           HG1      THR  50  -0.303 -26.203  -2.961
  167   1HG2  THR  50          1HG2      THR  50   3.016 -26.479  -5.205
  168   2HG2  THR  50          2HG2      THR  50   2.327 -27.759  -4.209
  169   3HG2  THR  50          3HG2      THR  50   3.278 -26.475  -3.463
  170    H    GLY  51           H        GLY  51   1.136 -24.315  -1.537
  171   1HA   GLY  51          1HA       GLY  51   3.408 -24.682  -0.219
  172   2HA   GLY  51          2HA       GLY  51   3.754 -23.151  -1.002
  173    H    ARG  52           H        ARG  52   3.101 -24.248   1.832
  174    HA   ARG  52           HA       ARG  52   0.898 -22.511   2.584
  175   1HB   ARG  52          1HB       ARG  52   1.377 -23.426   4.893
  176   2HB   ARG  52          2HB       ARG  52   0.891 -24.615   3.692
  177   1HG   ARG  52          1HG       ARG  52   3.169 -25.339   3.416
  178   2HG   ARG  52          2HG       ARG  52   3.739 -24.060   4.490
  179   1HD   ARG  52          1HD       ARG  52   2.546 -25.053   6.352
  180   2HD   ARG  52          2HD       ARG  52   1.882 -26.296   5.289
  181    HE   ARG  52           HE       ARG  52   4.071 -27.229   5.074
  182   1HH1  ARG  52          1HH1      ARG  52   3.793 -24.692   7.482
  183   2HH1  ARG  52          2HH1      ARG  52   5.243 -25.161   8.324
  184   1HH2  ARG  52          1HH2      ARG  52   5.958 -27.860   6.188
  185   2HH2  ARG  52          2HH2      ARG  52   6.465 -26.969   7.598
  186    H    ASP  53           H        ASP  53   2.473 -20.787   1.634
  187    HA   ASP  53           HA       ASP  53   4.150 -19.729   3.808
  188   1HB   ASP  53          1HB       ASP  53   5.352 -20.056   1.700
  189   2HB   ASP  53          2HB       ASP  53   4.163 -19.072   0.853
  190    HA   PRO  54           HA       PRO  54   0.553 -17.138   4.780
  191   1HB   PRO  54          1HB       PRO  54   2.878 -15.755   6.038
  192   2HB   PRO  54          2HB       PRO  54   1.282 -16.108   6.707
  193   1HG   PRO  54          1HG       PRO  54   3.528 -17.583   7.228
  194   2HG   PRO  54          2HG       PRO  54   1.876 -18.210   7.335
  195   1HD   PRO  54          1HD       PRO  54   3.951 -18.918   5.454
  196   2HD   PRO  54          2HD       PRO  54   2.335 -19.616   5.638
  197    H    LYS  55           H        LYS  55   0.150 -16.283   2.770
  198    HA   LYS  55           HA       LYS  55   1.723 -14.032   1.828
  199   1HB   LYS  55          1HB       LYS  55  -0.916 -15.101   0.801
  200   2HB   LYS  55          2HB       LYS  55   0.087 -13.898   0.004
  201   1HG   LYS  55          1HG       LYS  55   0.753 -16.797   0.468
  202   2HG   LYS  55          2HG       LYS  55   0.398 -16.013  -1.071
  203   1HD   LYS  55          1HD       LYS  55   2.410 -14.617  -0.801
  204   2HD   LYS  55          2HD       LYS  55   2.777 -15.460   0.705
  205   1HE   LYS  55          1HE       LYS  55   2.812 -17.595  -0.616
  206   2HE   LYS  55          2HE       LYS  55   2.697 -16.616  -2.077
  207   1HZ   LYS  55          1HZ       LYS  55   4.981 -17.122  -1.679
  208   2HZ   LYS  55          2HZ       LYS  55   4.886 -16.591  -0.071
  209   3HZ   LYS  55          3HZ       LYS  55   4.760 -15.473  -1.341
  210    H    GLN  56           H        GLN  56   1.558 -12.197   2.900
  211    HA   GLN  56           HA       GLN  56  -0.775 -11.670   4.538
  212   1HB   GLN  56          1HB       GLN  56   1.797 -10.118   4.221
  213   2HB   GLN  56          2HB       GLN  56   0.553  -9.803   5.422
  214   1HG   GLN  56          1HG       GLN  56   0.952 -11.974   6.433
  215   2HG   GLN  56          2HG       GLN  56   2.166 -12.336   5.206
  216   1HE2  GLN  56          1HE2      GLN  56   3.794 -12.587   6.743
  217   2HE2  GLN  56          2HE2      GLN  56   4.477 -11.239   7.585
  218    H    VAL  57           H        VAL  57   0.486 -10.563   1.499
  219    HA   VAL  57           HA       VAL  57  -1.051  -8.074   1.728
  220    HB   VAL  57           HB       VAL  57   0.650  -8.692  -0.463
  221   1HG1  VAL  57          1HG1      VAL  57  -0.724  -6.688  -0.530
  222   2HG1  VAL  57          2HG1      VAL  57   0.973  -6.257  -0.321
  223   3HG1  VAL  57          3HG1      VAL  57  -0.125  -6.205   1.057
  224   1HG2  VAL  57          1HG2      VAL  57   2.509  -7.713   0.812
  225   2HG2  VAL  57          2HG2      VAL  57   2.012  -9.287   1.428
  226   3HG2  VAL  57          3HG2      VAL  57   1.529  -7.818   2.273
  227    H    ILE  58           H        ILE  58  -2.184 -10.744   1.126
  228    HA   ILE  58           HA       ILE  58  -3.963  -9.827  -0.967
  229    HB   ILE  58           HB       ILE  58  -3.964 -12.140  -1.776
  230   1HG1  ILE  58          1HG1      ILE  58  -1.107 -11.846  -0.864
  231   2HG1  ILE  58          2HG1      ILE  58  -2.274 -13.020  -0.265
  232   1HG2  ILE  58          1HG2      ILE  58  -2.512 -11.416  -3.593
  233   2HG2  ILE  58          2HG2      ILE  58  -1.937 -10.077  -2.597
  234   3HG2  ILE  58          3HG2      ILE  58  -3.627 -10.141  -3.098
  235   1HD1  ILE  58          1HD1      ILE  58  -2.368 -14.074  -2.442
  236   2HD1  ILE  58          2HD1      ILE  58  -0.703 -13.993  -1.864
  237   3HD1  ILE  58          3HD1      ILE  58  -1.265 -12.862  -3.095
  238    H    GLY  59           H        GLY  59  -5.909 -11.039  -1.070
  239   1HA   GLY  59          1HA       GLY  59  -7.737 -11.994  -0.061
  240   2HA   GLY  59          2HA       GLY  59  -6.610 -13.143   0.648
  241    H    LYS  60           H        LYS  60  -6.425  -9.704   1.167
  242    HA   LYS  60           HA       LYS  60  -6.578 -10.198   4.026
  243   1HB   LYS  60          1HB       LYS  60  -4.669  -8.956   3.207
  244   2HB   LYS  60          2HB       LYS  60  -5.722  -7.800   2.405
  245   1HG   LYS  60          1HG       LYS  60  -4.720  -6.952   4.505
  246   2HG   LYS  60          2HG       LYS  60  -6.484  -6.942   4.514
  247   1HD   LYS  60          1HD       LYS  60  -6.594  -8.814   5.936
  248   2HD   LYS  60          2HD       LYS  60  -4.890  -9.210   5.683
  249   1HE   LYS  60          1HE       LYS  60  -4.261  -7.134   6.849
  250   2HE   LYS  60          2HE       LYS  60  -5.968  -6.789   7.126
  251   1HZ   LYS  60          1HZ       LYS  60  -4.695  -9.289   8.073
  252   2HZ   LYS  60          2HZ       LYS  60  -6.171  -8.608   8.571
  253   3HZ   LYS  60          3HZ       LYS  60  -4.701  -7.874   9.003
  254    H    ASN  61           H        ASN  61  -8.476 -10.062   4.942
  255    HA   ASN  61           HA       ASN  61 -10.285  -7.909   4.077
  256   1HB   ASN  61          1HB       ASN  61 -12.105  -9.303   5.175
  257   2HB   ASN  61          2HB       ASN  61 -11.438  -9.911   3.672
  258   1HD2  ASN  61          1HD2      ASN  61 -10.295 -11.811   3.663
  259   2HD2  ASN  61          2HD2      ASN  61 -10.221 -12.871   5.027
  260    H    PHE  62           H        PHE  62 -10.657  -6.363   5.425
  261    HA   PHE  62           HA       PHE  62 -10.147  -6.768   8.290
  262   1HB   PHE  62          1HB       PHE  62  -8.185  -5.730   7.151
  263   2HB   PHE  62          2HB       PHE  62  -9.220  -4.399   6.648
  264    HD1  PHE  62           HD1      PHE  62  -9.842  -2.667   8.161
  265    HD2  PHE  62           HD2      PHE  62  -7.604  -6.018   9.527
  266    HE1  PHE  62           HE1      PHE  62  -9.356  -1.481  10.261
  267    HE2  PHE  62           HE2      PHE  62  -7.119  -4.839  11.630
  268    HZ   PHE  62           HZ       PHE  62  -7.995  -2.568  11.998
  269    H    PHE  63           H        PHE  63 -11.726  -5.953   9.549
  270    HA   PHE  63           HA       PHE  63 -13.693  -4.181   8.230
  271   1HB   PHE  63          1HB       PHE  63 -14.244  -6.314  10.309
  272   2HB   PHE  63          2HB       PHE  63 -15.442  -5.246   9.591
  273    HD1  PHE  63           HD1      PHE  63 -13.252  -8.125   9.023
  274    HD2  PHE  63           HD2      PHE  63 -16.277  -5.627   7.374
  275    HE1  PHE  63           HE1      PHE  63 -13.626  -9.766   7.233
  276    HE2  PHE  63           HE2      PHE  63 -16.655  -7.267   5.580
  277    HZ   PHE  63           HZ       PHE  63 -15.330  -9.338   5.508
  278    H    LYS  64           H        LYS  64 -13.005  -5.313  11.515
  279    HA   LYS  64           HA       LYS  64 -12.552  -2.602  12.453
  280   1HB   LYS  64          1HB       LYS  64 -14.289  -2.922  14.276
  281   2HB   LYS  64          2HB       LYS  64 -14.924  -2.633  12.662
  282   1HG   LYS  64          1HG       LYS  64 -15.151  -5.150  12.459
  283   2HG   LYS  64          2HG       LYS  64 -14.839  -5.212  14.195
  284   1HD   LYS  64          1HD       LYS  64 -17.043  -3.598  12.916
  285   2HD   LYS  64          2HD       LYS  64 -17.256  -5.209  13.600
  286   1HE   LYS  64          1HE       LYS  64 -16.198  -2.855  15.155
  287   2HE   LYS  64          2HE       LYS  64 -17.902  -3.308  15.107
  288   1HZ   LYS  64          1HZ       LYS  64 -15.676  -5.025  16.088
  289   2HZ   LYS  64          2HZ       LYS  64 -17.316  -5.463  16.032
  290   3HZ   LYS  64          3HZ       LYS  64 -16.810  -4.212  17.058
  291    H    ASP  65           H        ASP  65 -11.061  -5.000  12.128
  292    HA   ASP  65           HA       ASP  65 -10.797  -6.459  14.535
  293   1HB   ASP  65          1HB       ASP  65  -8.734  -6.152  12.343
  294   2HB   ASP  65          2HB       ASP  65  -8.916  -7.498  13.466
  295    H    VAL  66           H        VAL  66  -8.951  -6.474  15.957
  296    HA   VAL  66           HA       VAL  66  -8.333  -3.719  16.662
  297    HB   VAL  66           HB       VAL  66  -7.502  -4.659  18.645
  298   1HG1  VAL  66          1HG1      VAL  66  -9.690  -3.612  18.369
  299   2HG1  VAL  66          2HG1      VAL  66  -9.769  -4.972  19.489
  300   3HG1  VAL  66          3HG1      VAL  66 -10.366  -5.153  17.838
  301   1HG2  VAL  66          1HG2      VAL  66  -8.956  -7.148  17.805
  302   2HG2  VAL  66          2HG2      VAL  66  -7.986  -6.865  19.249
  303   3HG2  VAL  66          3HG2      VAL  66  -7.203  -6.985  17.675
  304    H    ALA  67           H        ALA  67  -6.862  -4.312  14.563
  305    HA   ALA  67           HA       ALA  67  -4.244  -5.251  15.348
  306   1HB   ALA  67          1HB       ALA  67  -3.614  -4.865  13.030
  307   2HB   ALA  67          2HB       ALA  67  -5.154  -4.058  12.731
  308   3HB   ALA  67          3HB       ALA  67  -5.119  -5.778  13.125
  309    HA   PRO  68           HA       PRO  68  -3.130  -0.594  14.484
  310   1HB   PRO  68          1HB       PRO  68  -5.174   1.200  14.779
  311   2HB   PRO  68          2HB       PRO  68  -4.670   0.531  13.225
  312   1HG   PRO  68          1HG       PRO  68  -6.934  -0.291  14.998
  313   2HG   PRO  68          2HG       PRO  68  -6.905  -0.109  13.233
  314   1HD   PRO  68          1HD       PRO  68  -6.736  -2.517  14.413
  315   2HD   PRO  68          2HD       PRO  68  -5.854  -2.146  12.918
  316    H    CYS  69           H        CYS  69  -2.038  -0.195  16.262
  317    HA   CYS  69           HA       CYS  69  -3.506   0.593  18.674
  318   1HB   CYS  69          1HB       CYS  69  -1.465  -1.578  18.431
  319   2HB   CYS  69          2HB       CYS  69  -1.515  -0.623  19.910
  320    H    THR  70           H        THR  70  -2.992   2.595  19.043
  321    HA   THR  70           HA       THR  70  -1.860   4.503  19.445
  322    HB   THR  70           HB       THR  70   0.593   3.046  19.257
  323    HG1  THR  70           HG1      THR  70  -0.827   3.180  21.661
  324   1HG2  THR  70          1HG2      THR  70   0.686   5.463  19.621
  325   2HG2  THR  70          2HG2      THR  70   1.184   4.575  21.062
  326   3HG2  THR  70          3HG2      THR  70  -0.423   5.295  20.984
  327    H    ASP  71           H        ASP  71  -0.475   6.119  18.434
  328    HA   ASP  71           HA       ASP  71  -0.592   6.074  15.628
  329   1HB   ASP  71          1HB       ASP  71   0.826   7.870  17.584
  330   2HB   ASP  71          2HB       ASP  71   1.000   8.093  15.847
  331    H    SER  72           H        SER  72   0.641   5.081  14.217
  332    HA   SER  72           HA       SER  72   3.467   4.582  14.896
  333   1HB   SER  72          1HB       SER  72   1.667   2.649  13.413
  334   2HB   SER  72          2HB       SER  72   3.345   2.380  13.890
  335    HG   SER  72           HG       SER  72   1.190   2.839  15.695
  336    HA   PRO  73           HA       PRO  73   3.188   6.862  10.932
  337   1HB   PRO  73          1HB       PRO  73   5.494   8.363  11.785
  338   2HB   PRO  73          2HB       PRO  73   3.829   8.917  11.619
  339   1HG   PRO  73          1HG       PRO  73   5.124   8.690  14.018
  340   2HG   PRO  73          2HG       PRO  73   3.366   8.586  13.828
  341   1HD   PRO  73          1HD       PRO  73   5.373   6.375  14.099
  342   2HD   PRO  73          2HD       PRO  73   3.771   6.541  14.854
  343    H    GLU  74           H        GLU  74   4.548   4.312  11.250
  344    HA   GLU  74           HA       GLU  74   7.192   4.654  10.110
  345   1HB   GLU  74          1HB       GLU  74   5.596   2.143  10.650
  346   2HB   GLU  74          2HB       GLU  74   7.294   2.202  10.195
  347   1HG   GLU  74          1HG       GLU  74   7.911   3.179  12.250
  348   2HG   GLU  74          2HG       GLU  74   6.233   3.521  12.674
  349    H    PHE  75           H        PHE  75   3.981   3.680   9.118
  350    HA   PHE  75           HA       PHE  75   4.850   3.755   6.314
  351   1HB   PHE  75          1HB       PHE  75   2.909   1.726   7.457
  352   2HB   PHE  75          2HB       PHE  75   3.421   1.845   5.778
  353    HD1  PHE  75           HD1      PHE  75   4.097   0.420   8.982
  354    HD2  PHE  75           HD2      PHE  75   5.868   1.439   5.250
  355    HE1  PHE  75           HE1      PHE  75   5.949  -1.133   9.441
  356    HE2  PHE  75           HE2      PHE  75   7.724  -0.114   5.699
  357    HZ   PHE  75           HZ       PHE  75   7.746  -1.417   7.824
  358    H    TYR  76           H        TYR  76   2.671   3.659   4.946
  359    HA   TYR  76           HA       TYR  76   1.030   4.936   4.118
  360   1HB   TYR  76          1HB       TYR  76  -1.055   5.104   5.476
  361   2HB   TYR  76          2HB       TYR  76  -0.406   3.484   5.320
  362    HD1  TYR  76           HD1      TYR  76   0.335   2.256   7.268
  363    HD2  TYR  76           HD2      TYR  76  -0.985   6.288   7.629
  364    HE1  TYR  76           HE1      TYR  76   0.219   1.998   9.712
  365    HE2  TYR  76           HE2      TYR  76  -1.110   6.035  10.071
  366    HH   TYR  76           HH       TYR  76  -1.350   4.237  11.722
  367    H    GLY  77           H        GLY  77   0.742   6.993   3.576
  368   1HA   GLY  77          1HA       GLY  77   2.257   8.892   5.116
  369   2HA   GLY  77          2HA       GLY  77   1.431   9.206   3.597
  370    H    LYS  78           H        LYS  78  -1.085   8.866   3.972
  371    HA   LYS  78           HA       LYS  78  -1.926  10.287   6.399
  372   1HB   LYS  78          1HB       LYS  78  -2.721  11.023   3.568
  373   2HB   LYS  78          2HB       LYS  78  -3.340  11.775   5.028
  374   1HG   LYS  78          1HG       LYS  78  -0.439  11.832   4.236
  375   2HG   LYS  78          2HG       LYS  78  -1.600  13.079   3.780
  376   1HD   LYS  78          1HD       LYS  78  -2.041  13.546   6.133
  377   2HD   LYS  78          2HD       LYS  78  -0.927  12.263   6.609
  378   1HE   LYS  78          1HE       LYS  78   0.920  13.465   5.562
  379   2HE   LYS  78          2HE       LYS  78  -0.188  14.735   5.046
  380   1HZ   LYS  78          1HZ       LYS  78   1.001  15.384   7.026
  381   2HZ   LYS  78          2HZ       LYS  78   0.446  14.015   7.857
  382   3HZ   LYS  78          3HZ       LYS  78  -0.650  15.216   7.377
  383    H    PHE  79           H        PHE  79  -2.209   7.513   5.845
  384    HA   PHE  79           HA       PHE  79  -3.947   6.744   3.901
  385   1HB   PHE  79          1HB       PHE  79  -2.532   5.225   5.327
  386   2HB   PHE  79          2HB       PHE  79  -3.830   5.269   6.522
  387    HD1  PHE  79           HD1      PHE  79  -5.799   3.972   6.237
  388    HD2  PHE  79           HD2      PHE  79  -2.992   4.330   3.059
  389    HE1  PHE  79           HE1      PHE  79  -6.998   2.226   4.983
  390    HE2  PHE  79           HE2      PHE  79  -4.180   2.585   1.804
  391    HZ   PHE  79           HZ       PHE  79  -6.190   1.538   2.758
  392    H    LYS  80           H        LYS  80  -4.969   7.611   7.231
  393    HA   LYS  80           HA       LYS  80  -7.668   6.715   6.640
  394   1HB   LYS  80          1HB       LYS  80  -6.495   6.636   8.957
  395   2HB   LYS  80          2HB       LYS  80  -6.934   8.337   9.059
  396   1HG   LYS  80          1HG       LYS  80  -9.309   7.632   8.591
  397   2HG   LYS  80          2HG       LYS  80  -8.770   5.970   8.819
  398   1HD   LYS  80          1HD       LYS  80  -9.669   6.659  10.890
  399   2HD   LYS  80          2HD       LYS  80  -7.916   6.702  11.087
  400   1HE   LYS  80          1HE       LYS  80  -7.875   9.076  10.836
  401   2HE   LYS  80          2HE       LYS  80  -9.575   9.105  10.363
  402   1HZ   LYS  80          1HZ       LYS  80  -8.486   8.408  13.038
  403   2HZ   LYS  80          2HZ       LYS  80 -10.117   8.261  12.599
  404   3HZ   LYS  80          3HZ       LYS  80  -9.385   9.790  12.628
  405    H    GLU  81           H        GLU  81  -5.837   9.628   6.754
  406    HA   GLU  81           HA       GLU  81  -8.034  11.446   6.513
  407   1HB   GLU  81          1HB       GLU  81  -5.788  12.062   7.419
  408   2HB   GLU  81          2HB       GLU  81  -5.104  11.798   5.823
  409   1HG   GLU  81          1HG       GLU  81  -6.496  13.616   4.946
  410   2HG   GLU  81          2HG       GLU  81  -7.131  13.889   6.570
  411    H    GLY  82           H        GLY  82  -5.949   9.622   4.448
  412   1HA   GLY  82          1HA       GLY  82  -6.458  10.727   1.972
  413   2HA   GLY  82          2HA       GLY  82  -5.994   9.075   2.274
  414    H    VAL  83           H        VAL  83  -8.030   8.188   3.776
  415    HA   VAL  83           HA       VAL  83  -9.974   7.471   1.854
  416    HB   VAL  83           HB       VAL  83 -10.017   7.393   4.726
  417   1HG1  VAL  83          1HG1      VAL  83 -11.598   5.886   2.641
  418   2HG1  VAL  83          2HG1      VAL  83 -12.240   7.103   3.744
  419   3HG1  VAL  83          3HG1      VAL  83 -11.625   5.576   4.377
  420   1HG2  VAL  83          1HG2      VAL  83  -9.243   5.098   4.387
  421   2HG2  VAL  83          2HG2      VAL  83  -8.072   6.291   3.827
  422   3HG2  VAL  83          3HG2      VAL  83  -9.072   5.423   2.662
  423    H    ALA  84           H        ALA  84 -10.024   9.696   4.609
  424    HA   ALA  84           HA       ALA  84 -12.818  10.243   4.307
  425   1HB   ALA  84          1HB       ALA  84 -10.783  11.620   6.054
  426   2HB   ALA  84          2HB       ALA  84 -11.768  10.235   6.523
  427   3HB   ALA  84          3HB       ALA  84 -12.537  11.782   6.170
  428    H    SER  85           H        SER  85  -9.830  11.784   3.419
  429    HA   SER  85           HA       SER  85 -10.998  14.189   2.444
  430   1HB   SER  85          1HB       SER  85  -8.545  13.902   2.811
  431   2HB   SER  85          2HB       SER  85  -8.495  12.795   1.440
  432    HG   SER  85           HG       SER  85  -8.036  15.242   1.222
  433    H    GLY  86           H        GLY  86 -10.485  10.981   1.146
  434   1HA   GLY  86          1HA       GLY  86 -12.014   9.939  -0.311
  435   2HA   GLY  86          2HA       GLY  86 -12.587  11.527  -0.810
  436    H    ASN  87           H        ASN  87  -9.230  11.272  -0.648
  437    HA   ASN  87           HA       ASN  87  -8.782  10.295  -3.280
  438   1HB   ASN  87          1HB       ASN  87  -7.951  12.434  -4.281
  439   2HB   ASN  87          2HB       ASN  87  -9.691  12.376  -4.045
  440   1HD2  ASN  87          1HD2      ASN  87 -10.637  13.723  -2.520
  441   2HD2  ASN  87          2HD2      ASN  87  -9.791  15.064  -1.822
  442    H    LEU  88           H        LEU  88  -7.627   9.344  -1.224
  443    HA   LEU  88           HA       LEU  88  -5.169  10.374  -0.421
  444   1HB   LEU  88          1HB       LEU  88  -6.537   8.159   0.158
  445   2HB   LEU  88          2HB       LEU  88  -5.363   7.471  -0.953
  446    HG   LEU  88           HG       LEU  88  -4.703   9.105   1.445
  447   1HD1  LEU  88          1HD1      LEU  88  -5.735   7.026   2.139
  448   2HD1  LEU  88          2HD1      LEU  88  -4.005   6.964   2.475
  449   3HD1  LEU  88          3HD1      LEU  88  -4.661   6.111   1.079
  450   1HD2  LEU  88          1HD2      LEU  88  -2.964   9.181  -0.255
  451   2HD2  LEU  88          2HD2      LEU  88  -2.936   7.419  -0.320
  452   3HD2  LEU  88          3HD2      LEU  88  -2.421   8.254   1.144
  453    H    ASN  89           H        ASN  89  -4.096  11.331  -2.134
  454    HA   ASN  89           HA       ASN  89  -2.730   9.424  -3.864
  455   1HB   ASN  89          1HB       ASN  89  -4.488  10.213  -5.295
  456   2HB   ASN  89          2HB       ASN  89  -4.226  11.875  -4.792
  457   1HD2  ASN  89          1HD2      ASN  89  -2.694  13.092  -5.782
  458   2HD2  ASN  89          2HD2      ASN  89  -1.770  12.544  -7.142
  459    H    THR  90           H        THR  90  -0.721   9.615  -3.022
  460    HA   THR  90           HA       THR  90   0.453  12.311  -2.950
  461    HB   THR  90           HB       THR  90   0.891  10.305  -0.942
  462    HG1  THR  90           HG1      THR  90  -1.125  12.248  -1.258
  463   1HG2  THR  90          1HG2      THR  90   2.617  11.997  -1.155
  464   2HG2  THR  90          2HG2      THR  90   1.672  12.257   0.311
  465   3HG2  THR  90          3HG2      THR  90   1.396  13.268  -1.106
  466    H    MET  91           H        MET  91   2.668  12.367  -3.294
  467    HA   MET  91           HA       MET  91   4.032   9.810  -3.761
  468   1HB   MET  91          1HB       MET  91   5.213  10.915  -5.708
  469   2HB   MET  91          2HB       MET  91   3.525  10.501  -5.968
  470   1HG   MET  91          1HG       MET  91   2.929  12.855  -5.472
  471   2HG   MET  91          2HG       MET  91   4.647  13.225  -5.353
  472   1HE   MET  91          1HE       MET  91   4.365  15.156  -7.184
  473   2HE   MET  91          2HE       MET  91   2.644  14.780  -7.233
  474   3HE   MET  91          3HE       MET  91   3.563  14.903  -8.735
  475    H    PHE  92           H        PHE  92   5.981   9.690  -2.856
  476    HA   PHE  92           HA       PHE  92   7.542  11.993  -2.156
  477   1HB   PHE  92          1HB       PHE  92   5.713  12.032  -0.447
  478   2HB   PHE  92          2HB       PHE  92   6.214  10.429   0.076
  479    HD1  PHE  92           HD1      PHE  92   7.492  13.895  -0.340
  480    HD2  PHE  92           HD2      PHE  92   7.775  10.209   1.763
  481    HE1  PHE  92           HE1      PHE  92   9.073  14.922   1.241
  482    HE2  PHE  92           HE2      PHE  92   9.364  11.222   3.342
  483    HZ   PHE  92           HZ       PHE  92  10.013  13.586   3.084
  484    H    GLU  93           H        GLU  93   9.597  11.393  -1.290
  485    HA   GLU  93           HA       GLU  93  10.177   8.513  -1.534
  486   1HB   GLU  93          1HB       GLU  93  12.085  10.858  -1.761
  487   2HB   GLU  93          2HB       GLU  93  12.496   9.165  -1.992
  488   1HG   GLU  93          1HG       GLU  93  11.064   9.059  -3.941
  489   2HG   GLU  93          2HG       GLU  93  10.581  10.738  -3.692
  490    H    TYR  94           H        TYR  94  10.338   7.558   0.435
  491    HA   TYR  94           HA       TYR  94  11.671   9.079   2.563
  492   1HB   TYR  94          1HB       TYR  94  10.063   8.361   4.218
  493   2HB   TYR  94          2HB       TYR  94   9.222   9.190   2.915
  494    HD1  TYR  94           HD1      TYR  94   9.526   6.138   4.800
  495    HD2  TYR  94           HD2      TYR  94   7.957   7.814   1.221
  496    HE1  TYR  94           HE1      TYR  94   8.011   4.213   4.568
  497    HE2  TYR  94           HE2      TYR  94   6.450   5.891   0.975
  498    HH   TYR  94           HH       TYR  94   6.329   3.540   1.714
  499    H    THR  95           H        THR  95  12.474   7.761   4.324
  500    HA   THR  95           HA       THR  95  13.445   5.172   3.374
  501    HB   THR  95           HB       THR  95  14.676   5.475   5.495
  502    HG1  THR  95           HG1      THR  95  13.975   7.318   6.370
  503   1HG2  THR  95          1HG2      THR  95  16.381   6.656   4.208
  504   2HG2  THR  95          2HG2      THR  95  15.175   7.061   2.984
  505   3HG2  THR  95          3HG2      THR  95  15.625   5.377   3.254
  506    H    PHE  96           H        PHE  96  12.039   3.571   3.923
  507    HA   PHE  96           HA       PHE  96  10.551   3.759   6.411
  508   1HB   PHE  96          1HB       PHE  96   9.271   1.881   5.628
  509   2HB   PHE  96          2HB       PHE  96   9.458   3.010   4.292
  510    HD1  PHE  96           HD1      PHE  96   9.999  -0.344   5.449
  511    HD2  PHE  96           HD2      PHE  96  11.170   2.513   2.522
  512    HE1  PHE  96           HE1      PHE  96  10.899  -2.153   4.047
  513    HE2  PHE  96           HE2      PHE  96  12.064   0.710   1.112
  514    HZ   PHE  96           HZ       PHE  96  11.910  -1.650   1.891
  515    H    ASP  97           H        ASP  97  13.427   2.333   5.300
  516    HA   ASP  97           HA       ASP  97  13.625   0.787   7.780
  517   1HB   ASP  97          1HB       ASP  97  13.036  -0.576   5.584
  518   2HB   ASP  97          2HB       ASP  97  14.764  -0.407   5.287
  519    H    TYR  98           H        TYR  98  15.551   1.012   8.771
  520    HA   TYR  98           HA       TYR  98  17.560   2.596   7.321
  521   1HB   TYR  98          1HB       TYR  98  16.837   2.626  10.255
  522   2HB   TYR  98          2HB       TYR  98  18.210   3.489   9.569
  523    HD1  TYR  98           HD1      TYR  98  17.859   5.441   8.125
  524    HD2  TYR  98           HD2      TYR  98  14.585   3.401   9.922
  525    HE1  TYR  98           HE1      TYR  98  16.403   7.366   7.646
  526    HE2  TYR  98           HE2      TYR  98  13.121   5.318   9.444
  527    HH   TYR  98           HH       TYR  98  14.099   7.942   7.419
  528    H    GLN  99           H        GLN  99  18.884   0.991   6.607
  529    HA   GLN  99           HA       GLN  99  20.153  -0.692   8.664
  530   1HB   GLN  99          1HB       GLN  99  20.005  -1.137   5.670
  531   2HB   GLN  99          2HB       GLN  99  20.763  -2.216   6.830
  532   1HG   GLN  99          1HG       GLN  99  17.836  -1.554   6.650
  533   2HG   GLN  99          2HG       GLN  99  18.607  -3.067   6.182
  534   1HE2  GLN  99          1HE2      GLN  99  16.489  -2.541   8.098
  535   2HE2  GLN  99          2HE2      GLN  99  17.044  -3.168   9.625
  536    H    MET 100           H        MET 100  22.296  -1.368   6.743
  537    HA   MET 100           HA       MET 100  24.231   0.559   7.259
  538   1HB   MET 100          1HB       MET 100  24.159  -1.168   4.777
  539   2HB   MET 100          2HB       MET 100  25.577  -0.497   5.566
  540   1HG   MET 100          1HG       MET 100  25.558  -2.764   6.125
  541   2HG   MET 100          2HG       MET 100  24.983  -1.925   7.563
  542   1HE   MET 100          1HE       MET 100  23.996  -4.118   4.466
  543   2HE   MET 100          2HE       MET 100  22.997  -2.683   4.238
  544   3HE   MET 100          3HE       MET 100  22.242  -4.225   4.637
  545    H    THR 101           H        THR 101  22.267   0.079   4.348
  546    HA   THR 101           HA       THR 101  22.795   2.842   3.573
  547    HB   THR 101           HB       THR 101  21.438   2.205   1.712
  548    HG1  THR 101           HG1      THR 101  21.355  -0.073   1.384
  549   1HG2  THR 101          1HG2      THR 101  23.339   1.120   0.646
  550   2HG2  THR 101          2HG2      THR 101  24.068   0.836   2.226
  551   3HG2  THR 101          3HG2      THR 101  23.854   2.485   1.637
  552    HA   PRO 102           HA       PRO 102  18.697   3.975   4.968
  553   1HB   PRO 102          1HB       PRO 102  18.770   6.215   3.102
  554   2HB   PRO 102          2HB       PRO 102  18.815   6.242   4.867
  555   1HG   PRO 102          1HG       PRO 102  20.948   6.913   3.325
  556   2HG   PRO 102          2HG       PRO 102  21.107   6.202   4.942
  557   1HD   PRO 102          1HD       PRO 102  21.366   4.893   2.259
  558   2HD   PRO 102          2HD       PRO 102  22.334   4.652   3.730
  559    H    THR 103           H        THR 103  17.356   2.429   4.107
  560    HA   THR 103           HA       THR 103  17.018   2.014   1.324
  561    HB   THR 103           HB       THR 103  15.171   1.373   3.426
  562    HG1  THR 103           HG1      THR 103  17.796   0.728   3.102
  563   1HG2  THR 103          1HG2      THR 103  14.790  -0.566   1.986
  564   2HG2  THR 103          2HG2      THR 103  15.930   0.081   0.807
  565   3HG2  THR 103          3HG2      THR 103  14.426   0.938   1.140
  566    H    LYS 104           H        LYS 104  16.350   3.721   0.201
  567    HA   LYS 104           HA       LYS 104  14.062   5.280   1.178
  568   1HB   LYS 104          1HB       LYS 104  16.194   6.480   0.728
  569   2HB   LYS 104          2HB       LYS 104  16.095   5.969  -0.950
  570   1HG   LYS 104          1HG       LYS 104  13.969   7.203  -1.166
  571   2HG   LYS 104          2HG       LYS 104  14.171   7.781   0.489
  572   1HD   LYS 104          1HD       LYS 104  16.191   8.240  -1.704
  573   2HD   LYS 104          2HD       LYS 104  14.908   9.382  -1.307
  574   1HE   LYS 104          1HE       LYS 104  16.872  10.131  -0.197
  575   2HE   LYS 104          2HE       LYS 104  15.820   9.441   1.035
  576   1HZ   LYS 104          1HZ       LYS 104  17.146   7.425   0.991
  577   2HZ   LYS 104          2HZ       LYS 104  18.119   8.761   1.340
  578   3HZ   LYS 104          3HZ       LYS 104  18.148   8.068  -0.210
  579    H    VAL 105           H        VAL 105  12.174   4.875   0.271
  580    HA   VAL 105           HA       VAL 105  12.150   3.841  -2.463
  581    HB   VAL 105           HB       VAL 105   9.977   3.209  -2.034
  582   1HG1  VAL 105          1HG1      VAL 105  10.675   1.257  -0.710
  583   2HG1  VAL 105          2HG1      VAL 105  12.164   2.099  -0.283
  584   3HG1  VAL 105          3HG1      VAL 105  11.850   1.663  -1.962
  585   1HG2  VAL 105          1HG2      VAL 105   9.416   4.670  -0.189
  586   2HG2  VAL 105          2HG2      VAL 105  10.671   3.931   0.804
  587   3HG2  VAL 105          3HG2      VAL 105   9.271   2.983   0.302
  588    H    LYS 106           H        LYS 106  10.436   4.497  -3.836
  589    HA   LYS 106           HA       LYS 106   9.534   7.248  -3.294
  590   1HB   LYS 106          1HB       LYS 106   9.720   5.819  -5.964
  591   2HB   LYS 106          2HB       LYS 106   9.230   7.484  -5.724
  592   1HG   LYS 106          1HG       LYS 106  11.394   7.731  -6.438
  593   2HG   LYS 106          2HG       LYS 106  11.607   7.747  -4.688
  594   1HD   LYS 106          1HD       LYS 106  12.396   5.525  -4.662
  595   2HD   LYS 106          2HD       LYS 106  11.839   5.226  -6.309
  596   1HE   LYS 106          1HE       LYS 106  14.231   5.482  -6.317
  597   2HE   LYS 106          2HE       LYS 106  13.497   6.861  -7.130
  598   1HZ   LYS 106          1HZ       LYS 106  13.819   8.183  -5.140
  599   2HZ   LYS 106          2HZ       LYS 106  15.298   7.522  -5.651
  600   3HZ   LYS 106          3HZ       LYS 106  14.481   6.847  -4.331
  601    H    VAL 107           H        VAL 107   7.454   7.292  -2.619
  602    HA   VAL 107           HA       VAL 107   5.778   5.039  -3.464
  603    HB   VAL 107           HB       VAL 107   4.204   5.904  -1.911
  604   1HG1  VAL 107          1HG1      VAL 107   5.384   4.704  -0.111
  605   2HG1  VAL 107          2HG1      VAL 107   6.885   4.804  -1.030
  606   3HG1  VAL 107          3HG1      VAL 107   5.530   3.863  -1.655
  607   1HG2  VAL 107          1HG2      VAL 107   5.196   8.103  -1.553
  608   2HG2  VAL 107          2HG2      VAL 107   6.641   7.345  -0.879
  609   3HG2  VAL 107          3HG2      VAL 107   5.089   7.172  -0.059
  610    H    HIS 108           H        HIS 108   3.947   5.230  -4.496
  611    HA   HIS 108           HA       HIS 108   2.704   7.872  -4.593
  612   1HB   HIS 108          1HB       HIS 108   3.755   7.444  -6.811
  613   2HB   HIS 108          2HB       HIS 108   2.831   5.952  -6.938
  614    HD1  HIS 108           HD1      HIS 108   1.777   6.933  -9.139
  615    HD2  HIS 108           HD2      HIS 108   0.850   9.022  -5.657
  616    HE1  HIS 108           HE1      HIS 108  -0.174   8.416  -9.729
  617    HE2  HIS 108           HE2      HIS 108  -0.823   9.541  -7.566
  618    H    MET 109           H        MET 109   1.182   7.467  -3.167
  619    HA   MET 109           HA       MET 109  -0.447   5.035  -3.445
  620   1HB   MET 109          1HB       MET 109  -0.403   7.131  -1.248
  621   2HB   MET 109          2HB       MET 109  -1.368   5.661  -1.240
  622   1HG   MET 109          1HG       MET 109   0.622   4.306  -1.137
  623   2HG   MET 109          2HG       MET 109   1.638   5.738  -1.284
  624   1HE   MET 109          1HE       MET 109   3.038   5.049   0.809
  625   2HE   MET 109          2HE       MET 109   2.074   3.587   1.012
  626   3HE   MET 109          3HE       MET 109   2.351   4.658   2.384
  627    H    LYS 110           H        LYS 110  -2.351   5.272  -4.563
  628    HA   LYS 110           HA       LYS 110  -3.251   8.039  -4.880
  629   1HB   LYS 110          1HB       LYS 110  -3.397   7.879  -7.264
  630   2HB   LYS 110          2HB       LYS 110  -1.760   7.458  -6.788
  631   1HG   LYS 110          1HG       LYS 110  -2.151   5.147  -7.179
  632   2HG   LYS 110          2HG       LYS 110  -3.884   5.415  -7.385
  633   1HD   LYS 110          1HD       LYS 110  -3.365   6.828  -9.370
  634   2HD   LYS 110          2HD       LYS 110  -1.669   6.377  -9.193
  635   1HE   LYS 110          1HE       LYS 110  -2.265   4.024  -9.490
  636   2HE   LYS 110          2HE       LYS 110  -3.963   4.474  -9.655
  637   1HZ   LYS 110          1HZ       LYS 110  -1.785   5.366 -11.464
  638   2HZ   LYS 110          2HZ       LYS 110  -3.441   5.696 -11.643
  639   3HZ   LYS 110          3HZ       LYS 110  -2.869   4.104 -11.797
  640    H    LYS 111           H        LYS 111  -5.350   8.276  -4.769
  641    HA   LYS 111           HA       LYS 111  -7.199   6.341  -4.377
  642   1HB   LYS 111          1HB       LYS 111  -7.616   8.626  -4.009
  643   2HB   LYS 111          2HB       LYS 111  -7.305   9.030  -5.687
  644   1HG   LYS 111          1HG       LYS 111  -9.329   7.503  -6.193
  645   2HG   LYS 111          2HG       LYS 111  -9.709   7.735  -4.482
  646   1HD   LYS 111          1HD       LYS 111  -9.666  10.158  -4.806
  647   2HD   LYS 111          2HD       LYS 111  -9.289   9.920  -6.511
  648   1HE   LYS 111          1HE       LYS 111 -11.792   8.923  -5.158
  649   2HE   LYS 111          2HE       LYS 111 -11.685  10.393  -6.125
  650   1HZ   LYS 111          1HZ       LYS 111 -12.544   8.518  -7.407
  651   2HZ   LYS 111          2HZ       LYS 111 -11.112   7.654  -7.124
  652   3HZ   LYS 111          3HZ       LYS 111 -11.070   9.077  -8.039
  653    H    ALA 112           H        ALA 112  -7.837   4.709  -5.577
  654    HA   ALA 112           HA       ALA 112  -7.076   4.166  -8.177
  655   1HB   ALA 112          1HB       ALA 112  -7.903   2.452  -6.659
  656   2HB   ALA 112          2HB       ALA 112  -8.808   2.434  -8.172
  657   3HB   ALA 112          3HB       ALA 112  -9.522   3.151  -6.727
  658    H    LEU 113           H        LEU 113  -8.177   4.278 -10.181
  659    HA   LEU 113           HA       LEU 113  -9.420   6.761 -10.623
  660   1HB   LEU 113          1HB       LEU 113  -8.096   5.367 -12.271
  661   2HB   LEU 113          2HB       LEU 113  -9.531   4.380 -12.468
  662    HG   LEU 113           HG       LEU 113 -10.760   6.416 -13.234
  663   1HD1  LEU 113          1HD1      LEU 113  -9.460   8.375 -13.894
  664   2HD1  LEU 113          2HD1      LEU 113  -8.010   7.652 -13.196
  665   3HD1  LEU 113          3HD1      LEU 113  -9.365   8.092 -12.156
  666   1HD2  LEU 113          1HD2      LEU 113  -9.727   6.479 -15.451
  667   2HD2  LEU 113          2HD2      LEU 113  -9.838   4.829 -14.838
  668   3HD2  LEU 113          3HD2      LEU 113  -8.292   5.679 -14.809
  669    H    SER 114           H        SER 114 -10.712   3.632  -9.877
  670    HA   SER 114           HA       SER 114 -13.399   4.225 -10.662
  671   1HB   SER 114          1HB       SER 114 -12.421   2.091  -8.752
  672   2HB   SER 114          2HB       SER 114 -13.959   2.118  -9.617
  673    HG   SER 114           HG       SER 114 -12.497   0.792 -10.712
  674    H    GLY 115           H        GLY 115 -12.096   3.563  -7.382
  675   1HA   GLY 115          1HA       GLY 115 -12.476   5.721  -5.946
  676   2HA   GLY 115          2HA       GLY 115 -14.156   5.339  -6.294
  677    H    ASP 116           H        ASP 116 -13.120   5.499  -3.724
  678    HA   ASP 116           HA       ASP 116 -13.081   4.442  -1.727
  679   1HB   ASP 116          1HB       ASP 116 -15.391   3.860  -2.590
  680   2HB   ASP 116          2HB       ASP 116 -14.737   2.291  -3.050
  681    H    SER 117           H        SER 117 -10.944   3.979  -3.358
  682    HA   SER 117           HA       SER 117  -9.687   1.798  -2.056
  683   1HB   SER 117          1HB       SER 117  -9.057   0.659  -4.255
  684   2HB   SER 117          2HB       SER 117 -10.657   0.340  -3.594
  685    HG   SER 117           HG       SER 117 -11.533   1.794  -5.082
  686    H    TYR 118           H        TYR 118  -7.415   1.812  -2.465
  687    HA   TYR 118           HA       TYR 118  -6.407   4.097  -4.000
  688   1HB   TYR 118          1HB       TYR 118  -5.755   3.722  -1.060
  689   2HB   TYR 118          2HB       TYR 118  -5.188   5.021  -2.111
  690    HD1  TYR 118           HD1      TYR 118  -7.863   3.814  -0.037
  691    HD2  TYR 118           HD2      TYR 118  -6.770   6.733  -2.909
  692    HE1  TYR 118           HE1      TYR 118  -9.843   5.151   0.586
  693    HE2  TYR 118           HE2      TYR 118  -8.740   8.081  -2.307
  694    HH   TYR 118           HH       TYR 118 -10.632   7.454   0.453
  695    H    TRP 119           H        TRP 119  -4.308   3.845  -4.733
  696    HA   TRP 119           HA       TRP 119  -3.287   1.137  -4.564
  697   1HB   TRP 119          1HB       TRP 119  -2.551   3.543  -6.227
  698   2HB   TRP 119          2HB       TRP 119  -1.692   1.996  -6.311
  699    HD1  TRP 119           HD1      TRP 119  -5.324   3.312  -6.833
  700    HE1  TRP 119           HE1      TRP 119  -6.349   1.918  -8.765
  701    HE3  TRP 119           HE3      TRP 119  -1.421   0.163  -7.714
  702    HZ2  TRP 119           HZ2      TRP 119  -5.572  -0.253 -10.415
  703    HZ3  TRP 119           HZ3      TRP 119  -1.612  -1.520  -9.451
  704    HH2  TRP 119           HH2      TRP 119  -3.648  -1.735 -10.799
  705    H    VAL 120           H        VAL 120  -1.009   0.816  -4.410
  706    HA   VAL 120           HA       VAL 120   0.530   2.851  -2.962
  707    HB   VAL 120           HB       VAL 120   0.496   0.014  -2.459
  708   1HG1  VAL 120          1HG1      VAL 120   1.956   0.676  -0.577
  709   2HG1  VAL 120          2HG1      VAL 120   1.981   2.324  -1.202
  710   3HG1  VAL 120          3HG1      VAL 120   2.687   1.013  -2.146
  711   1HG2  VAL 120          1HG2      VAL 120  -0.588   2.308  -0.844
  712   2HG2  VAL 120          2HG2      VAL 120  -0.448   0.637  -0.299
  713   3HG2  VAL 120          3HG2      VAL 120  -1.531   1.042  -1.630
  714    H    PHE 121           H        PHE 121   1.690   3.322  -4.812
  715    HA   PHE 121           HA       PHE 121   3.242   1.186  -6.073
  716   1HB   PHE 121          1HB       PHE 121   3.120   4.159  -6.625
  717   2HB   PHE 121          2HB       PHE 121   4.157   3.036  -7.483
  718    HD1  PHE 121           HD1      PHE 121   0.598   3.739  -6.718
  719    HD2  PHE 121           HD2      PHE 121   3.384   1.948  -9.386
  720    HE1  PHE 121           HE1      PHE 121  -1.224   3.300  -8.315
  721    HE2  PHE 121           HE2      PHE 121   1.572   1.504 -10.987
  722    HZ   PHE 121           HZ       PHE 121  -0.709   2.195 -10.488
  723    H    VAL 122           H        VAL 122   5.358   0.817  -5.574
  724    HA   VAL 122           HA       VAL 122   6.829   2.835  -4.086
  725    HB   VAL 122           HB       VAL 122   5.763   1.632  -2.514
  726   1HG1  VAL 122          1HG1      VAL 122   6.253  -0.739  -2.158
  727   2HG1  VAL 122          2HG1      VAL 122   7.138  -0.782  -3.682
  728   3HG1  VAL 122          3HG1      VAL 122   5.403  -0.466  -3.679
  729   1HG2  VAL 122          1HG2      VAL 122   7.703   0.995  -1.207
  730   2HG2  VAL 122          2HG2      VAL 122   7.960   2.522  -2.052
  731   3HG2  VAL 122          3HG2      VAL 122   8.701   1.042  -2.659
  732    H    LYS 123           H        LYS 123   8.992   2.820  -4.477
  733    HA   LYS 123           HA       LYS 123  10.193   0.547  -5.843
  734   1HB   LYS 123          1HB       LYS 123  10.260   3.352  -6.982
  735   2HB   LYS 123          2HB       LYS 123  11.073   1.946  -7.653
  736   1HG   LYS 123          1HG       LYS 123   8.936   0.914  -8.143
  737   2HG   LYS 123          2HG       LYS 123   8.090   2.273  -7.401
  738   1HD   LYS 123          1HD       LYS 123   9.151   3.762  -9.091
  739   2HD   LYS 123          2HD       LYS 123   9.805   2.323  -9.879
  740   1HE   LYS 123          1HE       LYS 123   7.477   1.469 -10.104
  741   2HE   LYS 123          2HE       LYS 123   6.898   3.007  -9.467
  742   1HZ   LYS 123          1HZ       LYS 123   6.845   2.930 -11.891
  743   2HZ   LYS 123          2HZ       LYS 123   8.520   2.675 -11.931
  744   3HZ   LYS 123          3HZ       LYS 123   7.899   4.140 -11.335
  745    H    ARG 124           H        ARG 124  12.290   0.264  -5.216
  746    HA   ARG 124           HA       ARG 124  13.447   2.393  -3.542
  747   1HB   ARG 124          1HB       ARG 124  14.796   0.707  -2.467
  748   2HB   ARG 124          2HB       ARG 124  13.115   0.199  -2.427
  749   1HG   ARG 124          1HG       ARG 124  13.471  -1.572  -3.809
  750   2HG   ARG 124          2HG       ARG 124  14.779  -0.773  -4.682
  751   1HD   ARG 124          1HD       ARG 124  14.970  -1.833  -1.862
  752   2HD   ARG 124          2HD       ARG 124  15.562  -2.667  -3.299
  753    HE   ARG 124           HE       ARG 124  16.887  -0.397  -3.533
  754   1HH1  ARG 124          1HH1      ARG 124  16.341  -2.334  -0.661
  755   2HH1  ARG 124          2HH1      ARG 124  17.810  -1.805   0.116
  756   1HH2  ARG 124          1HH2      ARG 124  18.818   0.261  -2.540
  757   2HH2  ARG 124          2HH2      ARG 124  19.223  -0.340  -0.957
  758    H    VAL 125           H        VAL 125  15.685   2.798  -3.684
  759    HA   VAL 125           HA       VAL 125  16.838   2.118  -6.303
  760    HB   VAL 125           HB       VAL 125  18.342   3.939  -5.724
  761   1HG1  VAL 125          1HG1      VAL 125  16.788   5.440  -6.876
  762   2HG1  VAL 125          2HG1      VAL 125  15.465   4.323  -6.541
  763   3HG1  VAL 125          3HG1      VAL 125  16.786   3.831  -7.599
  764   1HG2  VAL 125          1HG2      VAL 125  17.403   5.700  -4.427
  765   2HG2  VAL 125          2HG2      VAL 125  17.451   4.254  -3.418
  766   3HG2  VAL 125          3HG2      VAL 125  15.929   4.780  -4.141
  767    H2   HC4 169           H2       HC4 169  -4.864  -2.689  22.077
  768    H3   HC4 169           H3       HC4 169  -5.768  -1.841  23.858
  769    H2'  HC4 169           H2'      HC4 169  -6.640  -0.163  25.373
  770    H3'  HC4 169           H3'      HC4 169  -6.813   2.131  26.226
  771    H5'  HC4 169           H5'      HC4 169  -4.802   3.554  22.757
  772    H6'  HC4 169           H6'      HC4 169  -4.527   1.250  21.978
  773   'HO4  HC4 169          'HO4      HC4 169  -5.668   4.346  25.885
  Start of MODEL   15
    1    H    LEU  26           H        LEU  26   7.713  -0.705 -18.907
    2    HA   LEU  26           HA       LEU  26   8.783  -2.024 -17.200
    3   1HB   LEU  26          1HB       LEU  26   9.219   0.635 -17.804
    4   2HB   LEU  26          2HB       LEU  26   9.140   0.655 -16.054
    5    HG   LEU  26           HG       LEU  26  11.444   0.472 -16.826
    6   1HD1  LEU  26          1HD1      LEU  26  12.125  -1.503 -15.551
    7   2HD1  LEU  26          2HD1      LEU  26  10.452  -2.065 -15.540
    8   3HD1  LEU  26          3HD1      LEU  26  10.888  -0.571 -14.709
    9   1HD2  LEU  26          1HD2      LEU  26  12.230  -1.511 -18.005
   10   2HD2  LEU  26          2HD2      LEU  26  11.028  -0.639 -18.958
   11   3HD2  LEU  26          3HD2      LEU  26  10.577  -2.116 -18.106
   12    H    ALA  27           H        ALA  27   8.912  -2.671 -15.052
   13    HA   ALA  27           HA       ALA  27   6.499  -2.188 -13.505
   14   1HB   ALA  27          1HB       ALA  27   7.292  -4.005 -12.082
   15   2HB   ALA  27          2HB       ALA  27   8.813  -4.048 -12.975
   16   3HB   ALA  27          3HB       ALA  27   7.305  -4.481 -13.780
   17    H    PHE  28           H        PHE  28   6.430  -1.278 -11.483
   18    HA   PHE  28           HA       PHE  28   8.928  -0.059 -10.489
   19   1HB   PHE  28          1HB       PHE  28   6.143   1.129 -10.291
   20   2HB   PHE  28          2HB       PHE  28   7.629   1.858  -9.697
   21    HD1  PHE  28           HD1      PHE  28   9.307   2.715 -11.305
   22    HD2  PHE  28           HD2      PHE  28   5.488   1.314 -12.560
   23    HE1  PHE  28           HE1      PHE  28   9.591   3.869 -13.458
   24    HE2  PHE  28           HE2      PHE  28   5.766   2.474 -14.712
   25    HZ   PHE  28           HZ       PHE  28   7.820   3.750 -15.164
   26    H    GLY  29           H        GLY  29   5.604  -0.881  -9.587
   27   1HA   GLY  29          1HA       GLY  29   5.870  -2.616  -7.561
   28   2HA   GLY  29          2HA       GLY  29   6.313  -1.096  -6.789
   29    H    ALA  30           H        ALA  30   3.851  -2.005  -9.181
   30    HA   ALA  30           HA       ALA  30   2.004  -0.178  -7.876
   31   1HB   ALA  30          1HB       ALA  30   1.687  -1.738 -10.442
   32   2HB   ALA  30          2HB       ALA  30   2.287  -0.085 -10.309
   33   3HB   ALA  30          3HB       ALA  30   0.625  -0.457  -9.856
   34    H    ILE  31           H        ILE  31   1.156  -1.101  -6.103
   35    HA   ILE  31           HA       ILE  31  -0.590  -3.404  -6.630
   36    HB   ILE  31           HB       ILE  31   1.020  -4.053  -5.302
   37   1HG1  ILE  31          1HG1      ILE  31  -1.567  -3.598  -3.880
   38   2HG1  ILE  31          2HG1      ILE  31  -1.069  -4.980  -4.850
   39   1HG2  ILE  31          1HG2      ILE  31   0.369  -1.724  -3.511
   40   2HG2  ILE  31          2HG2      ILE  31   1.855  -1.951  -4.433
   41   3HG2  ILE  31          3HG2      ILE  31   1.468  -3.045  -3.105
   42   1HD1  ILE  31          1HD1      ILE  31   0.150  -4.176  -2.221
   43   2HD1  ILE  31          2HD1      ILE  31   0.603  -5.573  -3.198
   44   3HD1  ILE  31          3HD1      ILE  31  -1.001  -5.490  -2.469
   45    H    GLN  32           H        GLN  32  -2.677  -3.239  -5.918
   46    HA   GLN  32           HA       GLN  32  -3.376  -0.561  -4.933
   47   1HB   GLN  32          1HB       GLN  32  -5.424  -0.638  -6.212
   48   2HB   GLN  32          2HB       GLN  32  -4.033  -0.876  -7.255
   49   1HG   GLN  32          1HG       GLN  32  -4.889  -2.741  -8.033
   50   2HG   GLN  32          2HG       GLN  32  -4.994  -3.415  -6.402
   51   1HE2  GLN  32          1HE2      GLN  32  -6.686  -1.676  -8.904
   52   2HE2  GLN  32          2HE2      GLN  32  -8.269  -1.895  -8.249
   53    H    LEU  33           H        LEU  33  -4.716  -0.308  -3.324
   54    HA   LEU  33           HA       LEU  33  -6.016  -2.710  -2.194
   55   1HB   LEU  33          1HB       LEU  33  -5.574  -1.751   0.072
   56   2HB   LEU  33          2HB       LEU  33  -4.160  -2.338  -0.772
   57    HG   LEU  33           HG       LEU  33  -3.770   0.126  -1.434
   58   1HD1  LEU  33          1HD1      LEU  33  -4.653   1.767   0.140
   59   2HD1  LEU  33          2HD1      LEU  33  -5.631   0.513   0.902
   60   3HD1  LEU  33          3HD1      LEU  33  -5.949   0.986  -0.767
   61   1HD2  LEU  33          1HD2      LEU  33  -2.394  -1.152   0.144
   62   2HD2  LEU  33          2HD2      LEU  33  -3.495  -0.706   1.449
   63   3HD2  LEU  33          3HD2      LEU  33  -2.556   0.536   0.622
   64    H    ASP  34           H        ASP  34  -7.800  -2.177  -0.727
   65    HA   ASP  34           HA       ASP  34  -9.238   0.160  -1.749
   66   1HB   ASP  34          1HB       ASP  34 -11.261  -0.812  -0.727
   67   2HB   ASP  34          2HB       ASP  34 -10.516  -1.890  -1.894
   68    H    GLY  35           H        GLY  35 -10.429   1.495  -0.292
   69   1HA   GLY  35          1HA       GLY  35  -8.820   2.241   1.986
   70   2HA   GLY  35          2HA       GLY  35 -10.272   3.055   1.416
   71    H    ASP  36           H        ASP  36 -10.255  -0.355   1.993
   72    HA   ASP  36           HA       ASP  36 -12.084   0.056   4.254
   73   1HB   ASP  36          1HB       ASP  36 -12.745  -1.226   2.088
   74   2HB   ASP  36          2HB       ASP  36 -11.760  -2.529   2.750
   75    H    GLY  37           H        GLY  37  -9.021  -1.204   3.306
   76   1HA   GLY  37          1HA       GLY  37  -7.547  -1.081   5.362
   77   2HA   GLY  37          2HA       GLY  37  -8.682  -2.220   6.058
   78    H    ASN  38           H        ASN  38  -8.270  -2.976   2.796
   79    HA   ASN  38           HA       ASN  38  -5.953  -4.666   3.312
   80   1HB   ASN  38          1HB       ASN  38  -6.993  -6.751   2.865
   81   2HB   ASN  38          2HB       ASN  38  -7.961  -5.954   4.095
   82   1HD2  ASN  38          1HD2      ASN  38  -9.337  -4.184   2.269
   83   2HD2  ASN  38          2HD2      ASN  38 -10.418  -5.163   1.350
   84    H    ILE  39           H        ILE  39  -5.154  -5.793   1.465
   85    HA   ILE  39           HA       ILE  39  -5.126  -4.154  -0.846
   86    HB   ILE  39           HB       ILE  39  -4.280  -6.867  -0.420
   87   1HG1  ILE  39          1HG1      ILE  39  -3.527  -5.070   1.206
   88   2HG1  ILE  39          2HG1      ILE  39  -2.293  -6.016   0.407
   89   1HG2  ILE  39          1HG2      ILE  39  -4.354  -6.224  -2.779
   90   2HG2  ILE  39          2HG2      ILE  39  -2.691  -6.338  -2.202
   91   3HG2  ILE  39          3HG2      ILE  39  -3.447  -4.759  -2.406
   92   1HD1  ILE  39          1HD1      ILE  39  -1.682  -3.669   0.525
   93   2HD1  ILE  39          2HD1      ILE  39  -3.159  -3.232  -0.334
   94   3HD1  ILE  39          3HD1      ILE  39  -1.908  -4.169  -1.151
   95    H    LEU  40           H        LEU  40  -5.955  -4.588  -2.883
   96    HA   LEU  40           HA       LEU  40  -8.114  -6.592  -2.930
   97   1HB   LEU  40          1HB       LEU  40  -8.851  -4.244  -3.102
   98   2HB   LEU  40          2HB       LEU  40  -7.858  -4.054  -4.535
   99    HG   LEU  40           HG       LEU  40  -9.244  -5.706  -5.720
  100   1HD1  LEU  40          1HD1      LEU  40  -9.926  -7.035  -3.780
  101   2HD1  LEU  40          2HD1      LEU  40 -11.313  -6.513  -4.737
  102   3HD1  LEU  40          3HD1      LEU  40 -10.927  -5.694  -3.222
  103   1HD2  LEU  40          1HD2      LEU  40  -9.817  -3.343  -5.878
  104   2HD2  LEU  40          2HD2      LEU  40 -10.825  -3.485  -4.438
  105   3HD2  LEU  40          3HD2      LEU  40 -11.268  -4.348  -5.910
  106    H    GLN  41           H        GLN  41  -5.623  -5.033  -4.952
  107    HA   GLN  41           HA       GLN  41  -5.253  -7.586  -6.315
  108   1HB   GLN  41          1HB       GLN  41  -6.906  -6.433  -7.681
  109   2HB   GLN  41          2HB       GLN  41  -5.871  -5.014  -7.774
  110   1HG   GLN  41          1HG       GLN  41  -4.219  -6.273  -9.027
  111   2HG   GLN  41          2HG       GLN  41  -5.204  -7.730  -8.887
  112   1HE2  GLN  41          1HE2      GLN  41  -4.283  -6.257 -11.258
  113   2HE2  GLN  41          2HE2      GLN  41  -5.718  -5.878 -12.155
  114    H    TYR  42           H        TYR  42  -3.170  -8.018  -6.213
  115    HA   TYR  42           HA       TYR  42  -1.204  -5.853  -6.378
  116   1HB   TYR  42          1HB       TYR  42  -0.820  -7.415  -4.570
  117   2HB   TYR  42          2HB       TYR  42  -0.930  -8.785  -5.669
  118    HD1  TYR  42           HD1      TYR  42   1.034  -9.717  -6.470
  119    HD2  TYR  42           HD2      TYR  42   1.072  -5.677  -5.146
  120    HE1  TYR  42           HE1      TYR  42   3.466  -9.638  -6.816
  121    HE2  TYR  42           HE2      TYR  42   3.508  -5.585  -5.490
  122    HH   TYR  42           HH       TYR  42   5.213  -7.922  -7.227
  123    H    ASN  43           H        ASN  43   0.121  -5.592  -8.126
  124    HA   ASN  43           HA       ASN  43  -0.459  -7.346 -10.407
  125   1HB   ASN  43          1HB       ASN  43   0.570  -4.502 -10.423
  126   2HB   ASN  43          2HB       ASN  43   0.212  -5.472 -11.846
  127   1HD2  ASN  43          1HD2      ASN  43  -1.072  -3.597  -9.260
  128   2HD2  ASN  43          2HD2      ASN  43  -2.714  -3.582  -9.800
  129    H    ALA  44           H        ALA  44   1.049  -8.887 -10.363
  130    HA   ALA  44           HA       ALA  44   3.841  -8.201  -9.911
  131   1HB   ALA  44          1HB       ALA  44   2.973 -10.212  -8.835
  132   2HB   ALA  44          2HB       ALA  44   4.235 -10.619  -9.997
  133   3HB   ALA  44          3HB       ALA  44   2.541 -10.881 -10.409
  134    H    ALA  45           H        ALA  45   4.858  -7.357 -11.602
  135    HA   ALA  45           HA       ALA  45   4.119  -7.949 -14.307
  136   1HB   ALA  45          1HB       ALA  45   6.539  -6.485 -13.256
  137   2HB   ALA  45          2HB       ALA  45   4.992  -5.749 -13.675
  138   3HB   ALA  45          3HB       ALA  45   5.980  -6.503 -14.928
  139    H    GLU  46           H        GLU  46   4.836  -9.526 -15.542
  140    HA   GLU  46           HA       GLU  46   5.879 -11.404 -16.232
  141   1HB   GLU  46          1HB       GLU  46   7.879  -9.927 -16.329
  142   2HB   GLU  46          2HB       GLU  46   8.260 -10.371 -14.672
  143   1HG   GLU  46          1HG       GLU  46   8.626 -12.654 -15.312
  144   2HG   GLU  46          2HG       GLU  46   8.101 -12.315 -16.960
  145    H    GLY  47           H        GLY  47   4.243 -12.284 -14.783
  146   1HA   GLY  47          1HA       GLY  47   5.479 -14.194 -12.966
  147   2HA   GLY  47          2HA       GLY  47   4.297 -13.103 -12.247
  148    H    ASP  48           H        ASP  48   2.285 -13.906 -12.153
  149    HA   ASP  48           HA       ASP  48   1.175 -15.067 -14.548
  150   1HB   ASP  48          1HB       ASP  48   0.312 -17.092 -13.545
  151   2HB   ASP  48          2HB       ASP  48   2.061 -17.057 -13.385
  152    H    ILE  49           H        ILE  49  -0.645 -14.169 -14.904
  153    HA   ILE  49           HA       ILE  49  -2.446 -13.524 -12.683
  154    HB   ILE  49           HB       ILE  49  -3.202 -11.733 -14.092
  155   1HG1  ILE  49          1HG1      ILE  49  -1.567 -12.463 -15.998
  156   2HG1  ILE  49          2HG1      ILE  49  -1.837 -10.759 -15.666
  157   1HG2  ILE  49          1HG2      ILE  49  -0.613 -11.642 -12.565
  158   2HG2  ILE  49          2HG2      ILE  49  -2.243 -11.467 -11.911
  159   3HG2  ILE  49          3HG2      ILE  49  -1.591 -10.238 -12.994
  160   1HD1  ILE  49          1HD1      ILE  49   0.514 -11.234 -16.070
  161   2HD1  ILE  49          2HD1      ILE  49   0.524 -12.382 -14.732
  162   3HD1  ILE  49          3HD1      ILE  49   0.261 -10.667 -14.420
  163    H    THR  50           H        THR  50  -3.529 -15.431 -13.183
  164    HA   THR  50           HA       THR  50  -4.214 -16.180 -15.826
  165    HB   THR  50           HB       THR  50  -5.749 -17.065 -13.624
  166    HG1  THR  50           HG1      THR  50  -3.775 -16.983 -12.614
  167   1HG2  THR  50          1HG2      THR  50  -4.265 -18.383 -15.889
  168   2HG2  THR  50          2HG2      THR  50  -5.991 -18.024 -15.861
  169   3HG2  THR  50          3HG2      THR  50  -5.315 -19.191 -14.724
  170    H    GLY  51           H        GLY  51  -6.297 -16.315 -16.812
  171   1HA   GLY  51          1HA       GLY  51  -7.957 -14.063 -16.544
  172   2HA   GLY  51          2HA       GLY  51  -8.381 -15.545 -17.393
  173    H    ARG  52           H        ARG  52  -8.520 -17.418 -15.520
  174    HA   ARG  52           HA       ARG  52 -10.350 -16.378 -13.458
  175   1HB   ARG  52          1HB       ARG  52 -10.030 -19.248 -14.372
  176   2HB   ARG  52          2HB       ARG  52 -11.261 -18.620 -13.286
  177   1HG   ARG  52          1HG       ARG  52 -12.180 -17.290 -15.146
  178   2HG   ARG  52          2HG       ARG  52 -10.979 -18.010 -16.221
  179   1HD   ARG  52          1HD       ARG  52 -11.893 -20.256 -15.570
  180   2HD   ARG  52          2HD       ARG  52 -13.203 -19.411 -14.747
  181    HE   ARG  52           HE       ARG  52 -12.685 -19.049 -17.625
  182   1HH1  ARG  52          1HH1      ARG  52 -14.865 -19.739 -14.968
  183   2HH1  ARG  52          2HH1      ARG  52 -16.272 -19.844 -15.987
  184   1HH2  ARG  52          1HH2      ARG  52 -14.532 -19.136 -18.949
  185   2HH2  ARG  52          2HH2      ARG  52 -16.084 -19.488 -18.248
  186    H    ASP  53           H        ASP  53  -8.671 -15.718 -12.068
  187    HA   ASP  53           HA       ASP  53  -6.658 -17.719 -11.367
  188   1HB   ASP  53          1HB       ASP  53  -6.169 -15.227 -11.945
  189   2HB   ASP  53          2HB       ASP  53  -6.708 -14.912 -10.297
  190    HA   PRO  54           HA       PRO  54  -8.977 -18.648  -7.711
  191   1HB   PRO  54          1HB       PRO  54  -7.310 -20.493  -6.695
  192   2HB   PRO  54          2HB       PRO  54  -8.275 -20.804  -8.142
  193   1HG   PRO  54          1HG       PRO  54  -5.390 -20.037  -7.924
  194   2HG   PRO  54          2HG       PRO  54  -6.150 -21.249  -8.972
  195   1HD   PRO  54          1HD       PRO  54  -5.464 -18.740  -9.810
  196   2HD   PRO  54          2HD       PRO  54  -6.781 -19.691 -10.523
  197    H    LYS  55           H        LYS  55  -6.007 -17.029  -7.824
  198    HA   LYS  55           HA       LYS  55  -5.730 -16.861  -4.927
  199   1HB   LYS  55          1HB       LYS  55  -4.095 -15.486  -7.069
  200   2HB   LYS  55          2HB       LYS  55  -3.700 -15.603  -5.361
  201   1HG   LYS  55          1HG       LYS  55  -3.501 -18.052  -5.614
  202   2HG   LYS  55          2HG       LYS  55  -3.790 -17.864  -7.345
  203   1HD   LYS  55          1HD       LYS  55  -1.500 -16.677  -5.775
  204   2HD   LYS  55          2HD       LYS  55  -1.408 -18.045  -6.886
  205   1HE   LYS  55          1HE       LYS  55  -2.176 -15.218  -7.631
  206   2HE   LYS  55          2HE       LYS  55  -0.600 -15.958  -7.910
  207   1HZ   LYS  55          1HZ       LYS  55  -3.193 -16.697  -9.152
  208   2HZ   LYS  55          2HZ       LYS  55  -1.801 -17.662  -9.264
  209   3HZ   LYS  55          3HZ       LYS  55  -1.803 -16.104  -9.921
  210    H    GLN  56           H        GLN  56  -5.888 -14.896  -3.804
  211    HA   GLN  56           HA       GLN  56  -7.663 -12.944  -5.023
  212   1HB   GLN  56          1HB       GLN  56  -7.988 -13.738  -2.670
  213   2HB   GLN  56          2HB       GLN  56  -6.473 -12.958  -2.241
  214   1HG   GLN  56          1HG       GLN  56  -8.360 -11.581  -1.609
  215   2HG   GLN  56          2HG       GLN  56  -7.404 -10.790  -2.862
  216   1HE2  GLN  56          1HE2      GLN  56  -9.096  -9.500  -3.538
  217   2HE2  GLN  56          2HE2      GLN  56 -10.463 -10.127  -4.397
  218    H    VAL  57           H        VAL  57  -4.353 -13.423  -4.295
  219    HA   VAL  57           HA       VAL  57  -2.455 -12.257  -4.676
  220    HB   VAL  57           HB       VAL  57  -4.023 -10.633  -6.435
  221   1HG1  VAL  57          1HG1      VAL  57  -1.160 -11.584  -6.391
  222   2HG1  VAL  57          2HG1      VAL  57  -1.721  -9.947  -6.054
  223   3HG1  VAL  57          3HG1      VAL  57  -1.900 -10.621  -7.672
  224   1HG2  VAL  57          1HG2      VAL  57  -2.935 -13.402  -6.891
  225   2HG2  VAL  57          2HG2      VAL  57  -3.567 -12.329  -8.140
  226   3HG2  VAL  57          3HG2      VAL  57  -4.635 -12.931  -6.872
  227    H    ILE  58           H        ILE  58  -2.922 -11.450  -2.460
  228    HA   ILE  58           HA       ILE  58  -3.078  -8.520  -2.463
  229    HB   ILE  58           HB       ILE  58  -4.069  -8.493  -0.475
  230   1HG1  ILE  58          1HG1      ILE  58  -3.181 -10.818   0.234
  231   2HG1  ILE  58          2HG1      ILE  58  -4.755 -10.291   0.802
  232   1HG2  ILE  58          1HG2      ILE  58  -5.441  -8.410  -2.452
  233   2HG2  ILE  58          2HG2      ILE  58  -6.286  -9.281  -1.172
  234   3HG2  ILE  58          3HG2      ILE  58  -5.536 -10.170  -2.498
  235   1HD1  ILE  58          1HD1      ILE  58  -5.792 -11.652  -0.996
  236   2HD1  ILE  58          2HD1      ILE  58  -4.879 -12.590   0.186
  237   3HD1  ILE  58          3HD1      ILE  58  -4.187 -12.258  -1.398
  238    H    GLY  59           H        GLY  59  -1.896  -7.492  -0.825
  239   1HA   GLY  59          1HA       GLY  59   0.248  -9.099   0.343
  240   2HA   GLY  59          2HA       GLY  59   0.157  -7.339   0.330
  241    H    LYS  60           H        LYS  60  -2.661  -7.442   1.172
  242    HA   LYS  60           HA       LYS  60  -2.291  -8.134   3.999
  243   1HB   LYS  60          1HB       LYS  60  -2.443  -5.757   3.790
  244   2HB   LYS  60          2HB       LYS  60  -3.784  -5.890   2.655
  245   1HG   LYS  60          1HG       LYS  60  -4.569  -5.140   4.824
  246   2HG   LYS  60          2HG       LYS  60  -5.219  -6.736   4.448
  247   1HD   LYS  60          1HD       LYS  60  -4.550  -6.752   6.740
  248   2HD   LYS  60          2HD       LYS  60  -3.381  -7.716   5.839
  249   1HE   LYS  60          1HE       LYS  60  -2.225  -6.300   7.420
  250   2HE   LYS  60          2HE       LYS  60  -1.862  -5.781   5.774
  251   1HZ   LYS  60          1HZ       LYS  60  -3.583  -4.051   6.042
  252   2HZ   LYS  60          2HZ       LYS  60  -2.286  -3.865   7.111
  253   3HZ   LYS  60          3HZ       LYS  60  -3.761  -4.500   7.666
  254    H    ASN  61           H        ASN  61  -3.520  -9.805   4.592
  255    HA   ASN  61           HA       ASN  61  -6.241  -9.936   3.492
  256   1HB   ASN  61          1HB       ASN  61  -6.162 -12.382   3.510
  257   2HB   ASN  61          2HB       ASN  61  -4.938 -11.720   2.442
  258   1HD2  ASN  61          1HD2      ASN  61  -5.574 -13.556   5.268
  259   2HD2  ASN  61          2HD2      ASN  61  -3.942 -14.020   5.610
  260    H    PHE  62           H        PHE  62  -7.723  -9.828   4.970
  261    HA   PHE  62           HA       PHE  62  -7.143  -9.807   7.744
  262   1HB   PHE  62          1HB       PHE  62  -9.623  -9.646   6.093
  263   2HB   PHE  62          2HB       PHE  62  -9.769  -9.918   7.827
  264    HD1  PHE  62           HD1      PHE  62  -9.152  -8.203   9.408
  265    HD2  PHE  62           HD2      PHE  62  -8.812  -7.545   5.221
  266    HE1  PHE  62           HE1      PHE  62  -8.918  -5.790   9.816
  267    HE2  PHE  62           HE2      PHE  62  -8.577  -5.128   5.616
  268    HZ   PHE  62           HZ       PHE  62  -8.628  -4.247   7.917
  269    H    PHE  63           H        PHE  63  -6.286 -11.740   8.397
  270    HA   PHE  63           HA       PHE  63  -7.936 -14.141   8.149
  271   1HB   PHE  63          1HB       PHE  63  -5.474 -14.302   7.796
  272   2HB   PHE  63          2HB       PHE  63  -5.223 -13.763   9.451
  273    HD1  PHE  63           HD1      PHE  63  -5.013 -15.330  11.139
  274    HD2  PHE  63           HD2      PHE  63  -6.909 -16.445   7.495
  275    HE1  PHE  63           HE1      PHE  63  -5.127 -17.660  11.917
  276    HE2  PHE  63           HE2      PHE  63  -7.025 -18.778   8.269
  277    HZ   PHE  63           HZ       PHE  63  -6.088 -19.394  10.466
  278    H    LYS  64           H        LYS  64  -6.201 -12.418  10.715
  279    HA   LYS  64           HA       LYS  64  -8.392 -11.679  12.218
  280   1HB   LYS  64          1HB       LYS  64  -8.101 -13.222  14.221
  281   2HB   LYS  64          2HB       LYS  64  -8.954 -13.881  12.835
  282   1HG   LYS  64          1HG       LYS  64  -6.974 -15.114  12.171
  283   2HG   LYS  64          2HG       LYS  64  -6.065 -14.404  13.507
  284   1HD   LYS  64          1HD       LYS  64  -6.925 -16.722  13.929
  285   2HD   LYS  64          2HD       LYS  64  -7.414 -15.518  15.122
  286   1HE   LYS  64          1HE       LYS  64  -9.581 -15.283  13.965
  287   2HE   LYS  64          2HE       LYS  64  -9.084 -16.532  12.824
  288   1HZ   LYS  64          1HZ       LYS  64 -10.525 -17.130  14.886
  289   2HZ   LYS  64          2HZ       LYS  64  -9.031 -17.137  15.698
  290   3HZ   LYS  64          3HZ       LYS  64  -9.287 -18.172  14.378
  291    H    ASP  65           H        ASP  65  -7.014  -9.893  12.138
  292    HA   ASP  65           HA       ASP  65  -4.570 -10.041  13.744
  293   1HB   ASP  65          1HB       ASP  65  -4.339  -9.035  11.521
  294   2HB   ASP  65          2HB       ASP  65  -5.587  -7.856  11.908
  295    H    VAL  66           H        VAL  66  -7.025  -7.529  13.251
  296    HA   VAL  66           HA       VAL  66  -7.811  -5.938  14.659
  297    HB   VAL  66           HB       VAL  66  -9.308  -7.597  14.563
  298   1HG1  VAL  66          1HG1      VAL  66  -8.125  -9.467  15.541
  299   2HG1  VAL  66          2HG1      VAL  66  -9.638  -9.171  16.398
  300   3HG1  VAL  66          3HG1      VAL  66  -8.108  -8.660  17.110
  301   1HG2  VAL  66          1HG2      VAL  66 -10.582  -6.956  16.548
  302   2HG2  VAL  66          2HG2      VAL  66  -9.851  -5.586  15.714
  303   3HG2  VAL  66          3HG2      VAL  66  -9.133  -6.195  17.205
  304    H    ALA  67           H        ALA  67  -5.502  -5.483  15.249
  305    HA   ALA  67           HA       ALA  67  -4.662  -6.075  17.920
  306   1HB   ALA  67          1HB       ALA  67  -3.062  -5.582  16.119
  307   2HB   ALA  67          2HB       ALA  67  -2.861  -4.501  17.499
  308   3HB   ALA  67          3HB       ALA  67  -3.674  -3.929  16.042
  309    HA   PRO  68           HA       PRO  68  -7.013  -2.914  19.955
  310   1HB   PRO  68          1HB       PRO  68  -5.804  -2.936  22.350
  311   2HB   PRO  68          2HB       PRO  68  -6.782  -4.298  21.789
  312   1HG   PRO  68          1HG       PRO  68  -3.807  -3.985  21.815
  313   2HG   PRO  68          2HG       PRO  68  -4.789  -5.401  22.233
  314   1HD   PRO  68          1HD       PRO  68  -3.536  -5.063  19.815
  315   2HD   PRO  68          2HD       PRO  68  -4.985  -6.060  20.052
  316    H    CYS  69           H        CYS  69  -4.239  -2.318  18.557
  317    HA   CYS  69           HA       CYS  69  -4.143   0.444  19.455
  318   1HB   CYS  69          1HB       CYS  69  -1.719  -1.369  19.428
  319   2HB   CYS  69          2HB       CYS  69  -1.643   0.385  19.558
  320    H    THR  70           H        THR  70  -2.858   1.780  17.932
  321    HA   THR  70           HA       THR  70  -2.776   2.606  15.824
  322    HB   THR  70           HB       THR  70  -1.492   1.309  14.324
  323    HG1  THR  70           HG1      THR  70  -2.070  -0.684  15.823
  324   1HG2  THR  70          1HG2      THR  70  -0.626   3.078  15.719
  325   2HG2  THR  70          2HG2      THR  70   0.524   1.745  15.621
  326   3HG2  THR  70          3HG2      THR  70  -0.459   1.958  17.070
  327    H    ASP  71           H        ASP  71  -5.166   2.123  15.848
  328    HA   ASP  71           HA       ASP  71  -6.393   0.040  14.523
  329   1HB   ASP  71          1HB       ASP  71  -7.194   2.949  14.677
  330   2HB   ASP  71          2HB       ASP  71  -8.234   1.686  14.027
  331    H    SER  72           H        SER  72  -5.225   3.088  13.137
  332    HA   SER  72           HA       SER  72  -5.926   2.392  10.464
  333   1HB   SER  72          1HB       SER  72  -3.938   4.466  11.433
  334   2HB   SER  72          2HB       SER  72  -4.689   4.399   9.839
  335    HG   SER  72           HG       SER  72  -6.714   4.747  10.859
  336    HA   PRO  73           HA       PRO  73  -2.313  -0.245   9.992
  337   1HB   PRO  73          1HB       PRO  73  -3.424  -1.136   7.499
  338   2HB   PRO  73          2HB       PRO  73  -3.385  -1.994   9.039
  339   1HG   PRO  73          1HG       PRO  73  -5.680  -1.077   7.829
  340   2HG   PRO  73          2HG       PRO  73  -5.518  -1.393   9.565
  341   1HD   PRO  73          1HD       PRO  73  -5.382   1.208   8.090
  342   2HD   PRO  73          2HD       PRO  73  -6.128   0.835   9.660
  343    H    GLU  74           H        GLU  74  -2.042   2.470   9.278
  344    HA   GLU  74           HA       GLU  74  -1.111   2.402   6.491
  345   1HB   GLU  74          1HB       GLU  74  -1.376   4.852   6.511
  346   2HB   GLU  74          2HB       GLU  74  -2.882   4.011   6.839
  347   1HG   GLU  74          1HG       GLU  74  -2.782   4.544   9.144
  348   2HG   GLU  74          2HG       GLU  74  -1.127   5.135   8.999
  349    H    PHE  75           H        PHE  75   0.829   3.292   5.925
  350    HA   PHE  75           HA       PHE  75   2.531   4.620   7.816
  351   1HB   PHE  75          1HB       PHE  75   2.848   2.080   8.166
  352   2HB   PHE  75          2HB       PHE  75   3.592   2.072   6.573
  353    HD1  PHE  75           HD1      PHE  75   3.828   3.895   9.818
  354    HD2  PHE  75           HD2      PHE  75   5.878   2.302   6.444
  355    HE1  PHE  75           HE1      PHE  75   5.981   4.511  10.838
  356    HE2  PHE  75           HE2      PHE  75   8.033   2.917   7.458
  357    HZ   PHE  75           HZ       PHE  75   8.088   4.023   9.660
  358    H    TYR  76           H        TYR  76   1.304   5.532   5.577
  359    HA   TYR  76           HA       TYR  76   3.391   5.531   3.498
  360   1HB   TYR  76          1HB       TYR  76   0.464   5.994   2.963
  361   2HB   TYR  76          2HB       TYR  76   1.731   5.620   1.802
  362    HD1  TYR  76           HD1      TYR  76   2.806   3.262   1.980
  363    HD2  TYR  76           HD2      TYR  76  -0.883   4.315   3.816
  364    HE1  TYR  76           HE1      TYR  76   2.197   0.882   2.115
  365    HE2  TYR  76           HE2      TYR  76  -1.499   1.941   3.965
  366    HH   TYR  76           HH       TYR  76  -0.910  -0.190   2.738
  367    H    GLY  77           H        GLY  77   0.548   7.510   3.215
  368   1HA   GLY  77          1HA       GLY  77   2.018   9.858   4.198
  369   2HA   GLY  77          2HA       GLY  77   1.365   9.867   2.563
  370    H    LYS  78           H        LYS  78   0.241   8.925   5.785
  371    HA   LYS  78           HA       LYS  78  -1.690   9.219   6.907
  372   1HB   LYS  78          1HB       LYS  78  -1.907  11.703   5.199
  373   2HB   LYS  78          2HB       LYS  78  -2.936  11.342   6.580
  374   1HG   LYS  78          1HG       LYS  78  -0.979  11.346   8.045
  375   2HG   LYS  78          2HG       LYS  78   0.052  11.704   6.660
  376   1HD   LYS  78          1HD       LYS  78  -0.394  13.730   7.890
  377   2HD   LYS  78          2HD       LYS  78  -1.191  13.809   6.318
  378   1HE   LYS  78          1HE       LYS  78  -3.312  13.204   7.347
  379   2HE   LYS  78          2HE       LYS  78  -2.521  13.050   8.918
  380   1HZ   LYS  78          1HZ       LYS  78  -1.980  15.396   8.845
  381   2HZ   LYS  78          2HZ       LYS  78  -3.652  15.183   8.674
  382   3HZ   LYS  78          3HZ       LYS  78  -2.704  15.550   7.320
  383    H    PHE  79           H        PHE  79  -2.621   7.382   6.161
  384    HA   PHE  79           HA       PHE  79  -3.864   7.213   3.581
  385   1HB   PHE  79          1HB       PHE  79  -2.813   5.249   4.535
  386   2HB   PHE  79          2HB       PHE  79  -3.867   5.325   5.941
  387    HD1  PHE  79           HD1      PHE  79  -5.927   4.229   5.948
  388    HD2  PHE  79           HD2      PHE  79  -3.868   4.802   2.269
  389    HE1  PHE  79           HE1      PHE  79  -7.537   2.753   4.819
  390    HE2  PHE  79           HE2      PHE  79  -5.478   3.329   1.132
  391    HZ   PHE  79           HZ       PHE  79  -7.324   2.319   2.401
  392    H    LYS  80           H        LYS  80  -5.080   7.166   6.947
  393    HA   LYS  80           HA       LYS  80  -7.807   7.036   6.243
  394   1HB   LYS  80          1HB       LYS  80  -6.947   6.518   8.503
  395   2HB   LYS  80          2HB       LYS  80  -6.584   8.221   8.744
  396   1HG   LYS  80          1HG       LYS  80  -8.675   7.527   9.840
  397   2HG   LYS  80          2HG       LYS  80  -8.926   8.788   8.630
  398   1HD   LYS  80          1HD       LYS  80  -9.609   7.038   7.011
  399   2HD   LYS  80          2HD       LYS  80  -9.447   5.832   8.288
  400   1HE   LYS  80          1HE       LYS  80 -11.271   8.222   8.453
  401   2HE   LYS  80          2HE       LYS  80 -11.786   6.635   7.882
  402   1HZ   LYS  80          1HZ       LYS  80 -10.612   7.142  10.565
  403   2HZ   LYS  80          2HZ       LYS  80 -11.290   5.694  10.003
  404   3HZ   LYS  80          3HZ       LYS  80 -12.274   7.052  10.249
  405    H    GLU  81           H        GLU  81  -5.571   9.688   6.485
  406    HA   GLU  81           HA       GLU  81  -7.562  11.748   6.301
  407   1HB   GLU  81          1HB       GLU  81  -5.364  12.205   7.309
  408   2HB   GLU  81          2HB       GLU  81  -4.575  11.806   5.789
  409   1HG   GLU  81          1HG       GLU  81  -4.643  14.173   6.006
  410   2HG   GLU  81          2HG       GLU  81  -5.764  13.702   4.731
  411    H    GLY  82           H        GLY  82  -5.477   9.958   4.147
  412   1HA   GLY  82          1HA       GLY  82  -5.945  11.273   1.764
  413   2HA   GLY  82          2HA       GLY  82  -5.544   9.583   1.925
  414    H    VAL  83           H        VAL  83  -7.645   8.691   3.370
  415    HA   VAL  83           HA       VAL  83  -9.606   8.164   1.414
  416    HB   VAL  83           HB       VAL  83  -9.687   7.998   4.281
  417   1HG1  VAL  83          1HG1      VAL  83 -11.448   6.342   3.864
  418   2HG1  VAL  83          2HG1      VAL  83 -11.378   6.700   2.139
  419   3HG1  VAL  83          3HG1      VAL  83 -11.925   7.935   3.273
  420   1HG2  VAL  83          1HG2      VAL  83  -9.090   5.675   3.877
  421   2HG2  VAL  83          2HG2      VAL  83  -7.837   6.776   3.302
  422   3HG2  VAL  83          3HG2      VAL  83  -8.936   6.016   2.152
  423    H    ALA  84           H        ALA  84  -9.623  10.279   4.270
  424    HA   ALA  84           HA       ALA  84 -12.376  10.977   3.883
  425   1HB   ALA  84          1HB       ALA  84 -11.455  10.805   6.135
  426   2HB   ALA  84          2HB       ALA  84 -12.076  12.428   5.830
  427   3HB   ALA  84          3HB       ALA  84 -10.339  12.125   5.787
  428    H    SER  85           H        SER  85  -9.278  12.360   3.125
  429    HA   SER  85           HA       SER  85 -10.235  14.891   2.259
  430   1HB   SER  85          1HB       SER  85  -7.862  13.294   1.254
  431   2HB   SER  85          2HB       SER  85  -8.171  14.991   0.877
  432    HG   SER  85           HG       SER  85  -7.582  13.818   3.389
  433    H    GLY  86           H        GLY  86 -10.353  11.710   0.912
  434   1HA   GLY  86          1HA       GLY  86 -11.764  10.926  -0.735
  435   2HA   GLY  86          2HA       GLY  86 -12.319  12.574  -0.994
  436    H    ASN  87           H        ASN  87  -8.922  11.941  -1.100
  437    HA   ASN  87           HA       ASN  87  -8.795  11.348  -3.874
  438   1HB   ASN  87          1HB       ASN  87  -7.902  13.452  -4.735
  439   2HB   ASN  87          2HB       ASN  87  -9.510  13.694  -4.073
  440   1HD2  ASN  87          1HD2      ASN  87  -9.767  14.939  -2.213
  441   2HD2  ASN  87          2HD2      ASN  87  -8.502  15.953  -1.604
  442    H    LEU  88           H        LEU  88  -7.674  10.071  -1.872
  443    HA   LEU  88           HA       LEU  88  -5.123  10.778  -1.045
  444   1HB   LEU  88          1HB       LEU  88  -6.737   8.755  -0.495
  445   2HB   LEU  88          2HB       LEU  88  -5.688   7.930  -1.636
  446    HG   LEU  88           HG       LEU  88  -4.777   9.408   0.786
  447   1HD1  LEU  88          1HD1      LEU  88  -4.345   7.162   1.740
  448   2HD1  LEU  88          2HD1      LEU  88  -5.148   6.450   0.340
  449   3HD1  LEU  88          3HD1      LEU  88  -6.057   7.472   1.455
  450   1HD2  LEU  88          1HD2      LEU  88  -3.053   9.318  -0.906
  451   2HD2  LEU  88          2HD2      LEU  88  -3.276   7.576  -1.072
  452   3HD2  LEU  88          3HD2      LEU  88  -2.638   8.245   0.429
  453    H    ASN  89           H        ASN  89  -3.921  11.658  -2.765
  454    HA   ASN  89           HA       ASN  89  -2.532   9.556  -4.198
  455   1HB   ASN  89          1HB       ASN  89  -2.802  10.432  -6.359
  456   2HB   ASN  89          2HB       ASN  89  -4.407  10.569  -5.648
  457   1HD2  ASN  89          1HD2      ASN  89  -5.128  12.647  -4.972
  458   2HD2  ASN  89          2HD2      ASN  89  -4.489  14.070  -5.713
  459    H    THR  90           H        THR  90  -0.591   9.777  -3.165
  460    HA   THR  90           HA       THR  90   0.772  12.343  -3.368
  461    HB   THR  90           HB       THR  90   0.633  10.975  -0.850
  462    HG1  THR  90           HG1      THR  90  -1.180  12.766  -2.060
  463   1HG2  THR  90          1HG2      THR  90   1.307  13.787  -1.694
  464   2HG2  THR  90          2HG2      THR  90   2.464  12.545  -1.221
  465   3HG2  THR  90          3HG2      THR  90   1.312  13.166  -0.040
  466    H    MET  91           H        MET  91   3.032  12.165  -3.081
  467    HA   MET  91           HA       MET  91   4.033   9.401  -2.976
  468   1HB   MET  91          1HB       MET  91   6.070  10.209  -4.067
  469   2HB   MET  91          2HB       MET  91   4.652  10.574  -5.037
  470   1HG   MET  91          1HG       MET  91   4.714  12.873  -4.365
  471   2HG   MET  91          2HG       MET  91   6.007  12.544  -3.213
  472   1HE   MET  91          1HE       MET  91   7.362  14.595  -4.270
  473   2HE   MET  91          2HE       MET  91   6.070  14.863  -5.441
  474   3HE   MET  91          3HE       MET  91   7.742  14.728  -5.988
  475    H    PHE  92           H        PHE  92   4.997   8.790  -1.175
  476    HA   PHE  92           HA       PHE  92   6.416  10.825   0.415
  477   1HB   PHE  92          1HB       PHE  92   4.305   9.861   1.480
  478   2HB   PHE  92          2HB       PHE  92   5.158   8.323   1.556
  479    HD1  PHE  92           HD1      PHE  92   5.248  11.833   2.699
  480    HD2  PHE  92           HD2      PHE  92   6.672   7.872   3.285
  481    HE1  PHE  92           HE1      PHE  92   6.250  12.517   4.841
  482    HE2  PHE  92           HE2      PHE  92   7.679   8.544   5.424
  483    HZ   PHE  92           HZ       PHE  92   7.469  10.870   6.203
  484    H    GLU  93           H        GLU  93   8.528  10.523   0.203
  485    HA   GLU  93           HA       GLU  93   9.484   7.801  -0.392
  486   1HB   GLU  93          1HB       GLU  93  10.998  10.385  -0.804
  487   2HB   GLU  93          2HB       GLU  93  11.372   8.801  -1.473
  488   1HG   GLU  93          1HG       GLU  93   9.363   8.895  -2.846
  489   2HG   GLU  93          2HG       GLU  93   8.965  10.472  -2.166
  490    H    TYR  94           H        TYR  94  10.136   6.817   1.441
  491    HA   TYR  94           HA       TYR  94  11.827   8.384   3.253
  492   1HB   TYR  94          1HB       TYR  94  10.823   7.266   5.189
  493   2HB   TYR  94          2HB       TYR  94   9.629   8.187   4.286
  494    HD1  TYR  94           HD1      TYR  94  10.459   5.008   5.687
  495    HD2  TYR  94           HD2      TYR  94   8.100   6.883   2.682
  496    HE1  TYR  94           HE1      TYR  94   9.015   3.022   5.586
  497    HE2  TYR  94           HE2      TYR  94   6.649   4.902   2.578
  498    HH   TYR  94           HH       TYR  94   6.558   2.565   4.893
  499    H    THR  95           H        THR  95  13.662   7.501   3.811
  500    HA   THR  95           HA       THR  95  14.340   4.857   2.843
  501    HB   THR  95           HB       THR  95  15.875   6.650   4.481
  502    HG1  THR  95           HG1      THR  95  14.927   7.562   2.455
  503   1HG2  THR  95          1HG2      THR  95  16.753   4.388   4.260
  504   2HG2  THR  95          2HG2      THR  95  17.733   5.546   3.360
  505   3HG2  THR  95          3HG2      THR  95  16.603   4.495   2.507
  506    H    PHE  96           H        PHE  96  14.918   3.117   4.169
  507    HA   PHE  96           HA       PHE  96  13.523   2.907   6.621
  508   1HB   PHE  96          1HB       PHE  96  15.637   1.137   5.387
  509   2HB   PHE  96          2HB       PHE  96  14.763   0.731   6.860
  510    HD1  PHE  96           HD1      PHE  96  12.153   0.775   6.658
  511    HD2  PHE  96           HD2      PHE  96  14.818   0.428   3.362
  512    HE1  PHE  96           HE1      PHE  96  10.350  -0.216   5.310
  513    HE2  PHE  96           HE2      PHE  96  13.021  -0.564   2.005
  514    HZ   PHE  96           HZ       PHE  96  10.769  -0.872   2.985
  515    H    ASP  97           H        ASP  97  14.120   3.210   8.670
  516    HA   ASP  97           HA       ASP  97  16.483   4.705   9.217
  517   1HB   ASP  97          1HB       ASP  97  14.449   5.070  10.513
  518   2HB   ASP  97          2HB       ASP  97  14.491   3.407  11.092
  519    H    TYR  98           H        TYR  98  18.433   3.856   9.315
  520    HA   TYR  98           HA       TYR  98  18.941   1.448  10.817
  521   1HB   TYR  98          1HB       TYR  98  18.288   0.592   8.568
  522   2HB   TYR  98          2HB       TYR  98  19.594   1.533   7.859
  523    HD1  TYR  98           HD1      TYR  98  21.790   0.694   7.792
  524    HD2  TYR  98           HD2      TYR  98  18.870  -1.268  10.185
  525    HE1  TYR  98           HE1      TYR  98  23.346  -1.178   8.144
  526    HE2  TYR  98           HE2      TYR  98  20.416  -3.146  10.545
  527    HH   TYR  98           HH       TYR  98  23.703  -2.990   9.831
  528    H    GLN  99           H        GLN  99  20.456   3.461   8.285
  529    HA   GLN  99           HA       GLN  99  22.371   4.500  10.156
  530   1HB   GLN  99          1HB       GLN  99  23.391   2.343   9.666
  531   2HB   GLN  99          2HB       GLN  99  23.283   2.657   7.942
  532   1HG   GLN  99          1HG       GLN  99  24.872   4.464   8.131
  533   2HG   GLN  99          2HG       GLN  99  24.918   4.268   9.883
  534   1HE2  GLN  99          1HE2      GLN  99  26.016   2.553  10.773
  535   2HE2  GLN  99          2HE2      GLN  99  27.119   1.574   9.860
  536    H    MET 100           H        MET 100  22.650   3.977   6.638
  537    HA   MET 100           HA       MET 100  22.427   6.905   6.324
  538   1HB   MET 100          1HB       MET 100  24.160   4.971   4.774
  539   2HB   MET 100          2HB       MET 100  23.937   6.661   4.350
  540   1HG   MET 100          1HG       MET 100  24.960   7.357   6.422
  541   2HG   MET 100          2HG       MET 100  25.100   5.679   6.946
  542   1HE   MET 100          1HE       MET 100  27.415   7.425   3.351
  543   2HE   MET 100          2HE       MET 100  26.321   8.376   4.356
  544   3HE   MET 100          3HE       MET 100  25.682   7.096   3.327
  545    H    THR 101           H        THR 101  22.698   4.551   3.738
  546    HA   THR 101           HA       THR 101  19.818   4.749   3.221
  547    HB   THR 101           HB       THR 101  20.657   4.641   0.868
  548    HG1  THR 101           HG1      THR 101  22.466   6.550   1.662
  549   1HG2  THR 101          1HG2      THR 101  20.378   7.119   2.552
  550   2HG2  THR 101          2HG2      THR 101  19.069   6.226   1.780
  551   3HG2  THR 101          3HG2      THR 101  20.274   7.054   0.793
  552    HA   PRO 102           HA       PRO 102  20.976   0.372   2.662
  553   1HB   PRO 102          1HB       PRO 102  18.521  -0.256   4.033
  554   2HB   PRO 102          2HB       PRO 102  20.174  -0.533   4.584
  555   1HG   PRO 102          1HG       PRO 102  18.438   1.253   5.745
  556   2HG   PRO 102          2HG       PRO 102  20.203   1.372   5.838
  557   1HD   PRO 102          1HD       PRO 102  18.294   2.827   4.049
  558   2HD   PRO 102          2HD       PRO 102  19.747   3.432   4.878
  559    H    THR 103           H        THR 103  17.562   1.329   2.861
  560    HA   THR 103           HA       THR 103  17.277   0.991  -0.012
  561    HB   THR 103           HB       THR 103  15.499  -0.156   1.937
  562    HG1  THR 103           HG1      THR 103  17.727  -1.101   0.513
  563   1HG2  THR 103          1HG2      THR 103  14.498  -1.181  -0.026
  564   2HG2  THR 103          2HG2      THR 103  15.617  -0.297  -1.064
  565   3HG2  THR 103          3HG2      THR 103  14.414   0.579  -0.119
  566    H    LYS 104           H        LYS 104  16.178   2.677  -0.802
  567    HA   LYS 104           HA       LYS 104  14.466   4.206   1.049
  568   1HB   LYS 104          1HB       LYS 104  16.258   5.523  -0.019
  569   2HB   LYS 104          2HB       LYS 104  15.653   5.055  -1.603
  570   1HG   LYS 104          1HG       LYS 104  13.476   6.148  -0.983
  571   2HG   LYS 104          2HG       LYS 104  14.288   6.787   0.445
  572   1HD   LYS 104          1HD       LYS 104  15.289   7.256  -2.354
  573   2HD   LYS 104          2HD       LYS 104  14.133   8.324  -1.564
  574   1HE   LYS 104          1HE       LYS 104  16.263   9.299  -1.246
  575   2HE   LYS 104          2HE       LYS 104  15.817   8.577   0.297
  576   1HZ   LYS 104          1HZ       LYS 104  17.267   6.746  -0.126
  577   2HZ   LYS 104          2HZ       LYS 104  18.144   8.171  -0.381
  578   3HZ   LYS 104          3HZ       LYS 104  17.583   7.278  -1.704
  579    H    VAL 105           H        VAL 105  12.347   3.831   0.841
  580    HA   VAL 105           HA       VAL 105  11.388   2.987  -1.773
  581    HB   VAL 105           HB       VAL 105   9.398   2.530  -0.750
  582   1HG1  VAL 105          1HG1      VAL 105  11.073   0.820  -1.138
  583   2HG1  VAL 105          2HG1      VAL 105  10.250   0.522   0.393
  584   3HG1  VAL 105          3HG1      VAL 105  11.870   1.220   0.384
  585   1HG2  VAL 105          1HG2      VAL 105  10.871   3.169   1.798
  586   2HG2  VAL 105          2HG2      VAL 105   9.307   2.362   1.688
  587   3HG2  VAL 105          3HG2      VAL 105   9.476   4.031   1.146
  588    H    LYS 106           H        LYS 106   9.461   3.876  -2.600
  589    HA   LYS 106           HA       LYS 106   8.741   6.502  -1.541
  590   1HB   LYS 106          1HB       LYS 106   8.576   7.374  -3.885
  591   2HB   LYS 106          2HB       LYS 106  10.215   7.042  -3.352
  592   1HG   LYS 106          1HG       LYS 106  10.125   4.890  -4.569
  593   2HG   LYS 106          2HG       LYS 106   8.536   5.345  -5.179
  594   1HD   LYS 106          1HD       LYS 106  10.969   7.064  -5.594
  595   2HD   LYS 106          2HD       LYS 106  10.543   5.764  -6.703
  596   1HE   LYS 106          1HE       LYS 106   9.643   7.728  -7.645
  597   2HE   LYS 106          2HE       LYS 106   8.280   6.878  -6.925
  598   1HZ   LYS 106          1HZ       LYS 106   9.733   9.150  -5.669
  599   2HZ   LYS 106          2HZ       LYS 106   8.368   8.365  -5.046
  600   3HZ   LYS 106          3HZ       LYS 106   8.242   9.264  -6.472
  601    H    VAL 107           H        VAL 107   6.685   6.513  -1.086
  602    HA   VAL 107           HA       VAL 107   4.934   4.514  -2.335
  603    HB   VAL 107           HB       VAL 107   4.043   6.442  -0.448
  604   1HG1  VAL 107          1HG1      VAL 107   2.509   4.882  -1.500
  605   2HG1  VAL 107          2HG1      VAL 107   2.688   4.527   0.218
  606   3HG1  VAL 107          3HG1      VAL 107   3.507   3.522  -0.978
  607   1HG2  VAL 107          1HG2      VAL 107   4.783   4.913   1.361
  608   2HG2  VAL 107          2HG2      VAL 107   6.117   5.748   0.565
  609   3HG2  VAL 107          3HG2      VAL 107   5.784   4.057   0.190
  610    H    HIS 108           H        HIS 108   4.217   5.304  -4.286
  611    HA   HIS 108           HA       HIS 108   2.908   7.927  -4.109
  612   1HB   HIS 108          1HB       HIS 108   4.402   7.560  -6.079
  613   2HB   HIS 108          2HB       HIS 108   3.374   6.220  -6.574
  614    HD1  HIS 108           HD1      HIS 108   2.944   7.540  -8.816
  615    HD2  HIS 108           HD2      HIS 108   1.509   9.397  -5.380
  616    HE1  HIS 108           HE1      HIS 108   1.365   9.325  -9.617
  617    HE2  HIS 108           HE2      HIS 108   0.670  10.562  -7.533
  618    H    MET 109           H        MET 109   1.043   7.586  -3.122
  619    HA   MET 109           HA       MET 109  -0.571   5.268  -3.856
  620   1HB   MET 109          1HB       MET 109  -1.016   7.432  -1.788
  621   2HB   MET 109          2HB       MET 109  -2.125   6.104  -2.092
  622   1HG   MET 109          1HG       MET 109  -0.197   4.557  -1.558
  623   2HG   MET 109          2HG       MET 109   0.647   5.985  -0.960
  624   1HE   MET 109          1HE       MET 109  -3.282   4.333   0.794
  625   2HE   MET 109          2HE       MET 109  -2.378   3.564  -0.511
  626   3HE   MET 109          3HE       MET 109  -3.185   5.108  -0.787
  627    H    LYS 110           H        LYS 110  -2.626   5.475  -4.810
  628    HA   LYS 110           HA       LYS 110  -3.323   8.136  -5.752
  629   1HB   LYS 110          1HB       LYS 110  -1.639   6.983  -7.358
  630   2HB   LYS 110          2HB       LYS 110  -2.996   5.950  -7.792
  631   1HG   LYS 110          1HG       LYS 110  -4.273   7.885  -8.491
  632   2HG   LYS 110          2HG       LYS 110  -2.956   8.949  -8.000
  633   1HD   LYS 110          1HD       LYS 110  -1.497   7.688  -9.629
  634   2HD   LYS 110          2HD       LYS 110  -2.976   6.935 -10.232
  635   1HE   LYS 110          1HE       LYS 110  -2.321   9.877 -10.198
  636   2HE   LYS 110          2HE       LYS 110  -2.408   8.830 -11.614
  637   1HZ   LYS 110          1HZ       LYS 110  -4.763   8.544 -11.238
  638   2HZ   LYS 110          2HZ       LYS 110  -4.396  10.194 -11.343
  639   3HZ   LYS 110          3HZ       LYS 110  -4.696   9.492  -9.833
  640    H    LYS 111           H        LYS 111  -5.413   8.283  -5.358
  641    HA   LYS 111           HA       LYS 111  -7.094   6.255  -4.682
  642   1HB   LYS 111          1HB       LYS 111  -7.467   8.591  -4.272
  643   2HB   LYS 111          2HB       LYS 111  -7.616   8.905  -5.990
  644   1HG   LYS 111          1HG       LYS 111  -9.618   7.348  -5.946
  645   2HG   LYS 111          2HG       LYS 111  -9.523   7.461  -4.184
  646   1HD   LYS 111          1HD       LYS 111  -9.521   9.987  -4.525
  647   2HD   LYS 111          2HD       LYS 111 -10.040   9.639  -6.179
  648   1HE   LYS 111          1HE       LYS 111 -11.911   8.278  -5.236
  649   2HE   LYS 111          2HE       LYS 111 -11.460   8.864  -3.638
  650   1HZ   LYS 111          1HZ       LYS 111 -11.874  11.122  -4.405
  651   2HZ   LYS 111          2HZ       LYS 111 -13.259  10.154  -4.551
  652   3HZ   LYS 111          3HZ       LYS 111 -12.340  10.532  -5.927
  653    H    ALA 112           H        ALA 112  -8.035   4.690  -5.737
  654    HA   ALA 112           HA       ALA 112  -7.535   4.250  -8.491
  655   1HB   ALA 112          1HB       ALA 112  -9.368   2.768  -6.602
  656   2HB   ALA 112          2HB       ALA 112  -7.663   2.417  -6.885
  657   3HB   ALA 112          3HB       ALA 112  -8.833   2.201  -8.186
  658    H    LEU 113           H        LEU 113  -9.005   4.231 -10.221
  659    HA   LEU 113           HA       LEU 113 -11.185   6.094  -9.994
  660   1HB   LEU 113          1HB       LEU 113 -10.116   4.458 -12.279
  661   2HB   LEU 113          2HB       LEU 113 -11.550   5.454 -12.435
  662    HG   LEU 113           HG       LEU 113  -8.803   6.474 -11.702
  663   1HD1  LEU 113          1HD1      LEU 113  -8.883   5.719 -14.007
  664   2HD1  LEU 113          2HD1      LEU 113  -8.836   7.482 -13.937
  665   3HD1  LEU 113          3HD1      LEU 113 -10.354   6.652 -14.280
  666   1HD2  LEU 113          1HD2      LEU 113  -9.797   8.684 -12.039
  667   2HD2  LEU 113          2HD2      LEU 113 -10.601   7.811 -10.735
  668   3HD2  LEU 113          3HD2      LEU 113 -11.371   7.935 -12.318
  669    H    SER 114           H        SER 114 -10.978   3.042  -9.030
  670    HA   SER 114           HA       SER 114 -13.475   2.006  -9.997
  671   1HB   SER 114          1HB       SER 114 -11.556   0.553  -9.324
  672   2HB   SER 114          2HB       SER 114 -11.793   1.074  -7.656
  673    HG   SER 114           HG       SER 114 -13.519  -0.460  -9.299
  674    H    GLY 115           H        GLY 115 -12.309   3.054  -6.775
  675   1HA   GLY 115          1HA       GLY 115 -13.822   4.915  -5.889
  676   2HA   GLY 115          2HA       GLY 115 -15.097   3.719  -6.091
  677    H    ASP 116           H        ASP 116 -13.408   5.174  -3.839
  678    HA   ASP 116           HA       ASP 116 -12.718   4.782  -1.731
  679   1HB   ASP 116          1HB       ASP 116 -14.874   2.729  -2.061
  680   2HB   ASP 116          2HB       ASP 116 -13.946   2.799  -0.564
  681    H    SER 117           H        SER 117 -11.172   3.752  -3.748
  682    HA   SER 117           HA       SER 117  -9.628   1.823  -2.235
  683   1HB   SER 117          1HB       SER 117  -9.081   0.726  -4.509
  684   2HB   SER 117          2HB       SER 117 -10.583   0.301  -3.696
  685    HG   SER 117           HG       SER 117 -11.537   0.906  -5.451
  686    H    TYR 118           H        TYR 118  -7.383   1.879  -2.787
  687    HA   TYR 118           HA       TYR 118  -6.513   4.236  -4.291
  688   1HB   TYR 118          1HB       TYR 118  -5.613   3.815  -1.432
  689   2HB   TYR 118          2HB       TYR 118  -5.308   5.211  -2.471
  690    HD1  TYR 118           HD1      TYR 118  -7.606   3.615  -0.212
  691    HD2  TYR 118           HD2      TYR 118  -7.115   6.779  -2.982
  692    HE1  TYR 118           HE1      TYR 118  -9.575   4.744   0.754
  693    HE2  TYR 118           HE2      TYR 118  -9.079   7.934  -2.036
  694    HH   TYR 118           HH       TYR 118 -11.040   7.472  -0.739
  695    H    TRP 119           H        TRP 119  -4.521   3.982  -5.228
  696    HA   TRP 119           HA       TRP 119  -3.406   1.326  -5.054
  697   1HB   TRP 119          1HB       TRP 119  -2.777   3.739  -6.752
  698   2HB   TRP 119          2HB       TRP 119  -1.884   2.214  -6.858
  699    HD1  TRP 119           HD1      TRP 119  -5.554   3.463  -7.310
  700    HE1  TRP 119           HE1      TRP 119  -6.594   2.043  -9.210
  701    HE3  TRP 119           HE3      TRP 119  -1.638   0.327  -8.206
  702    HZ2  TRP 119           HZ2      TRP 119  -5.823  -0.136 -10.850
  703    HZ3  TRP 119           HZ3      TRP 119  -1.844  -1.370  -9.924
  704    HH2  TRP 119           HH2      TRP 119  -3.895  -1.615 -11.239
  705    H    VAL 120           H        VAL 120  -1.126   1.056  -4.967
  706    HA   VAL 120           HA       VAL 120   0.389   3.090  -3.479
  707    HB   VAL 120           HB       VAL 120   0.373   0.237  -3.057
  708   1HG1  VAL 120          1HG1      VAL 120   1.840   2.488  -1.678
  709   2HG1  VAL 120          2HG1      VAL 120   2.568   1.298  -2.755
  710   3HG1  VAL 120          3HG1      VAL 120   1.879   0.786  -1.214
  711   1HG2  VAL 120          1HG2      VAL 120  -0.563   0.797  -0.876
  712   2HG2  VAL 120          2HG2      VAL 120  -1.647   1.252  -2.191
  713   3HG2  VAL 120          3HG2      VAL 120  -0.693   2.486  -1.368
  714    H    PHE 121           H        PHE 121   1.637   3.657  -5.231
  715    HA   PHE 121           HA       PHE 121   2.972   1.510  -6.723
  716   1HB   PHE 121          1HB       PHE 121   3.126   4.488  -7.201
  717   2HB   PHE 121          2HB       PHE 121   3.658   3.218  -8.286
  718    HD1  PHE 121           HD1      PHE 121   1.009   5.402  -7.407
  719    HD2  PHE 121           HD2      PHE 121   1.855   1.643  -9.207
  720    HE1  PHE 121           HE1      PHE 121  -1.181   5.463  -8.532
  721    HE2  PHE 121           HE2      PHE 121  -0.330   1.688 -10.341
  722    HZ   PHE 121           HZ       PHE 121  -1.853   3.600 -10.004
  723    H    VAL 122           H        VAL 122   4.652   0.800  -5.511
  724    HA   VAL 122           HA       VAL 122   6.304   2.811  -4.159
  725    HB   VAL 122           HB       VAL 122   7.336   1.043  -3.120
  726   1HG1  VAL 122          1HG1      VAL 122   4.334   1.219  -2.887
  727   2HG1  VAL 122          2HG1      VAL 122   5.502   2.287  -2.108
  728   3HG1  VAL 122          3HG1      VAL 122   5.424   0.584  -1.655
  729   1HG2  VAL 122          1HG2      VAL 122   5.200  -0.639  -4.406
  730   2HG2  VAL 122          2HG2      VAL 122   6.339  -1.155  -3.163
  731   3HG2  VAL 122          3HG2      VAL 122   6.923  -0.714  -4.768
  732    H    LYS 123           H        LYS 123   8.572   2.588  -4.162
  733    HA   LYS 123           HA       LYS 123   9.811   0.857  -6.111
  734   1HB   LYS 123          1HB       LYS 123   9.339   2.863  -7.440
  735   2HB   LYS 123          2HB       LYS 123  10.127   3.866  -6.232
  736   1HG   LYS 123          1HG       LYS 123  11.624   3.593  -8.054
  737   2HG   LYS 123          2HG       LYS 123  12.246   2.648  -6.701
  738   1HD   LYS 123          1HD       LYS 123  11.277   0.615  -7.697
  739   2HD   LYS 123          2HD       LYS 123  10.701   1.574  -9.062
  740   1HE   LYS 123          1HE       LYS 123  13.019   2.187  -9.590
  741   2HE   LYS 123          2HE       LYS 123  13.579   1.196  -8.243
  742   1HZ   LYS 123          1HZ       LYS 123  12.549  -0.736  -9.352
  743   2HZ   LYS 123          2HZ       LYS 123  13.792  -0.031 -10.267
  744   3HZ   LYS 123          3HZ       LYS 123  12.173   0.249 -10.682
  745    H    ARG 124           H        ARG 124  11.518  -0.029  -5.103
  746    HA   ARG 124           HA       ARG 124  12.605   1.433  -2.798
  747   1HB   ARG 124          1HB       ARG 124  13.380  -0.798  -1.986
  748   2HB   ARG 124          2HB       ARG 124  11.636  -0.619  -2.070
  749   1HG   ARG 124          1HG       ARG 124  11.516  -1.971  -4.024
  750   2HG   ARG 124          2HG       ARG 124  13.274  -1.982  -4.189
  751   1HD   ARG 124          1HD       ARG 124  11.757  -3.139  -1.852
  752   2HD   ARG 124          2HD       ARG 124  12.358  -4.076  -3.220
  753    HE   ARG 124           HE       ARG 124  14.607  -2.944  -2.419
  754   1HH1  ARG 124          1HH1      ARG 124  12.074  -4.411  -0.472
  755   2HH1  ARG 124          2HH1      ARG 124  13.168  -4.889   0.792
  756   1HH2  ARG 124          1HH2      ARG 124  16.029  -3.608  -0.790
  757   2HH2  ARG 124          2HH2      ARG 124  15.430  -4.472   0.595
  758    H    VAL 125           H        VAL 125  14.542   2.254  -2.979
  759    HA   VAL 125           HA       VAL 125  16.424   1.069  -4.907
  760    HB   VAL 125           HB       VAL 125  16.534   3.585  -3.516
  761   1HG1  VAL 125          1HG1      VAL 125  18.220   4.049  -5.255
  762   2HG1  VAL 125          2HG1      VAL 125  18.086   2.379  -5.804
  763   3HG1  VAL 125          3HG1      VAL 125  18.700   2.729  -4.188
  764   1HG2  VAL 125          1HG2      VAL 125  14.600   3.543  -4.963
  765   2HG2  VAL 125          2HG2      VAL 125  15.576   2.908  -6.286
  766   3HG2  VAL 125          3HG2      VAL 125  15.873   4.536  -5.676
  767    H2   HC4 169           H2       HC4 169  -1.364  -2.096  23.801
  768    H3   HC4 169           H3       HC4 169   0.463  -2.861  24.678
  769    H2'  HC4 169           H2'      HC4 169   2.830  -3.185  25.043
  770    H3'  HC4 169           H3'      HC4 169   5.187  -3.043  24.378
  771    H5'  HC4 169           H5'      HC4 169   4.065  -0.760  20.963
  772    H6'  HC4 169           H6'      HC4 169   1.713  -0.969  21.603
  773   'HO4  HC4 169          'HO4      HC4 169   6.529  -2.615  22.340
  Start of MODEL   16
    1    H    LEU  26           H        LEU  26  13.135  -9.443  -8.929
    2    HA   LEU  26           HA       LEU  26  13.192  -6.628  -9.839
    3   1HB   LEU  26          1HB       LEU  26  11.549  -9.001 -10.716
    4   2HB   LEU  26          2HB       LEU  26  11.056  -7.350 -11.028
    5    HG   LEU  26           HG       LEU  26  13.232  -7.046 -12.283
    6   1HD1  LEU  26          1HD1      LEU  26  14.342  -9.063 -13.103
    7   2HD1  LEU  26          2HD1      LEU  26  13.317 -10.052 -12.062
    8   3HD1  LEU  26          3HD1      LEU  26  14.469  -8.922 -11.350
    9   1HD2  LEU  26          1HD2      LEU  26  12.391  -8.129 -14.293
   10   2HD2  LEU  26          2HD2      LEU  26  11.083  -7.363 -13.391
   11   3HD2  LEU  26          3HD2      LEU  26  11.299  -9.112 -13.318
   12    H    ALA  27           H        ALA  27  11.954  -5.286  -8.707
   13    HA   ALA  27           HA       ALA  27  10.405  -6.413  -6.492
   14   1HB   ALA  27          1HB       ALA  27  11.287  -3.577  -7.015
   15   2HB   ALA  27          2HB       ALA  27  12.059  -4.721  -5.916
   16   3HB   ALA  27          3HB       ALA  27  10.429  -4.135  -5.580
   17    H    PHE  28           H        PHE  28   8.301  -6.678  -6.754
   18    HA   PHE  28           HA       PHE  28   6.856  -5.247  -8.813
   19   1HB   PHE  28          1HB       PHE  28   5.803  -7.143  -6.696
   20   2HB   PHE  28          2HB       PHE  28   4.937  -6.592  -8.126
   21    HD1  PHE  28           HD1      PHE  28   5.661  -7.348 -10.371
   22    HD2  PHE  28           HD2      PHE  28   7.343  -8.937  -6.800
   23    HE1  PHE  28           HE1      PHE  28   6.525  -9.269 -11.640
   24    HE2  PHE  28           HE2      PHE  28   8.207 -10.862  -8.063
   25    HZ   PHE  28           HZ       PHE  28   7.824 -11.019 -10.486
   26    H    GLY  29           H        GLY  29   6.629  -3.136  -8.329
   27   1HA   GLY  29          1HA       GLY  29   6.047  -2.387  -5.555
   28   2HA   GLY  29          2HA       GLY  29   6.685  -1.323  -6.796
   29    H    ALA  30           H        ALA  30   4.207  -3.023  -8.199
   30    HA   ALA  30           HA       ALA  30   2.439  -0.719  -7.722
   31   1HB   ALA  30          1HB       ALA  30   3.180  -1.049 -10.044
   32   2HB   ALA  30          2HB       ALA  30   1.432  -1.216  -9.879
   33   3HB   ALA  30          3HB       ALA  30   2.444  -2.651 -10.046
   34    H    ILE  31           H        ILE  31   1.128  -1.273  -6.061
   35    HA   ILE  31           HA       ILE  31  -0.590  -3.608  -6.498
   36    HB   ILE  31           HB       ILE  31   0.916  -4.197  -5.005
   37   1HG1  ILE  31          1HG1      ILE  31  -1.802  -3.670  -3.893
   38   2HG1  ILE  31          2HG1      ILE  31  -1.195  -5.118  -4.692
   39   1HG2  ILE  31          1HG2      ILE  31   1.114  -3.072  -2.811
   40   2HG2  ILE  31          2HG2      ILE  31   0.117  -1.759  -3.438
   41   3HG2  ILE  31          3HG2      ILE  31   1.698  -2.084  -4.151
   42   1HD1  ILE  31          1HD1      ILE  31  -0.326  -4.099  -2.000
   43   2HD1  ILE  31          2HD1      ILE  31   0.289  -5.543  -2.806
   44   3HD1  ILE  31          3HD1      ILE  31  -1.400  -5.464  -2.304
   45    H    GLN  32           H        GLN  32  -2.707  -3.366  -5.945
   46    HA   GLN  32           HA       GLN  32  -3.466  -0.648  -5.116
   47   1HB   GLN  32          1HB       GLN  32  -5.547  -0.933  -6.374
   48   2HB   GLN  32          2HB       GLN  32  -4.133  -1.079  -7.400
   49   1HG   GLN  32          1HG       GLN  32  -4.398  -3.375  -7.644
   50   2HG   GLN  32          2HG       GLN  32  -5.537  -3.479  -6.300
   51   1HE2  GLN  32          1HE2      GLN  32  -7.659  -2.668  -6.625
   52   2HE2  GLN  32          2HE2      GLN  32  -8.327  -2.524  -8.216
   53    H    LEU  33           H        LEU  33  -4.723  -0.366  -3.420
   54    HA   LEU  33           HA       LEU  33  -6.155  -2.706  -2.312
   55   1HB   LEU  33          1HB       LEU  33  -5.776  -1.633  -0.054
   56   2HB   LEU  33          2HB       LEU  33  -4.395  -2.406  -0.801
   57    HG   LEU  33           HG       LEU  33  -4.718   0.518  -1.227
   58   1HD1  LEU  33          1HD1      LEU  33  -3.746  -0.720   1.351
   59   2HD1  LEU  33          2HD1      LEU  33  -5.182   0.285   1.154
   60   3HD1  LEU  33          3HD1      LEU  33  -3.579   0.977   0.903
   61   1HD2  LEU  33          1HD2      LEU  33  -2.896  -0.706  -2.288
   62   2HD2  LEU  33          2HD2      LEU  33  -2.361  -1.295  -0.713
   63   3HD2  LEU  33          3HD2      LEU  33  -2.275   0.426  -1.087
   64    H    ASP  34           H        ASP  34  -7.913  -2.054  -0.841
   65    HA   ASP  34           HA       ASP  34  -9.415   0.106  -2.117
   66   1HB   ASP  34          1HB       ASP  34 -11.372  -0.791  -0.902
   67   2HB   ASP  34          2HB       ASP  34 -10.603  -2.001  -1.920
   68    H    GLY  35           H        GLY  35 -10.622   1.611  -0.859
   69   1HA   GLY  35          1HA       GLY  35  -9.027   2.730   1.269
   70   2HA   GLY  35          2HA       GLY  35 -10.483   3.426   0.572
   71    H    ASP  36           H        ASP  36 -10.870   0.209   1.410
   72    HA   ASP  36           HA       ASP  36 -12.522   0.924   3.696
   73   1HB   ASP  36          1HB       ASP  36 -13.310  -0.581   1.823
   74   2HB   ASP  36          2HB       ASP  36 -12.145  -1.774   2.384
   75    H    GLY  37           H        GLY  37  -9.536  -0.611   2.854
   76   1HA   GLY  37          1HA       GLY  37  -7.838  -0.422   4.665
   77   2HA   GLY  37          2HA       GLY  37  -9.043  -1.142   5.724
   78    H    ASN  38           H        ASN  38  -8.748  -2.277   2.457
   79    HA   ASN  38           HA       ASN  38  -7.301  -4.671   3.400
   80   1HB   ASN  38          1HB       ASN  38  -9.614  -4.823   1.468
   81   2HB   ASN  38          2HB       ASN  38  -8.848  -6.134   2.354
   82   1HD2  ASN  38          1HD2      ASN  38 -11.048  -3.460   2.517
   83   2HD2  ASN  38          2HD2      ASN  38 -11.806  -3.899   4.012
   84    H    ILE  39           H        ILE  39  -6.158  -5.800   1.754
   85    HA   ILE  39           HA       ILE  39  -5.320  -4.209  -0.488
   86    HB   ILE  39           HB       ILE  39  -4.943  -6.967   0.252
   87   1HG1  ILE  39          1HG1      ILE  39  -3.915  -5.354   1.730
   88   2HG1  ILE  39          2HG1      ILE  39  -2.699  -6.181   0.769
   89   1HG2  ILE  39          1HG2      ILE  39  -3.224  -7.003  -1.493
   90   2HG2  ILE  39          2HG2      ILE  39  -3.709  -5.388  -2.010
   91   3HG2  ILE  39          3HG2      ILE  39  -4.825  -6.742  -2.188
   92   1HD1  ILE  39          1HD1      ILE  39  -2.179  -3.831   0.972
   93   2HD1  ILE  39          2HD1      ILE  39  -3.751  -3.403   0.298
   94   3HD1  ILE  39          3HD1      ILE  39  -2.558  -4.229  -0.705
   95    H    LEU  40           H        LEU  40  -5.958  -4.417  -2.631
   96    HA   LEU  40           HA       LEU  40  -8.477  -5.897  -2.942
   97   1HB   LEU  40          1HB       LEU  40  -8.526  -3.419  -3.200
   98   2HB   LEU  40          2HB       LEU  40  -7.447  -3.576  -4.573
   99    HG   LEU  40           HG       LEU  40  -9.145  -4.794  -5.818
  100   1HD1  LEU  40          1HD1      LEU  40 -10.847  -4.445  -3.356
  101   2HD1  LEU  40          2HD1      LEU  40 -10.221  -5.969  -3.984
  102   3HD1  LEU  40          3HD1      LEU  40 -11.412  -5.055  -4.910
  103   1HD2  LEU  40          1HD2      LEU  40 -10.780  -3.001  -6.078
  104   2HD2  LEU  40          2HD2      LEU  40  -9.145  -2.354  -5.937
  105   3HD2  LEU  40          3HD2      LEU  40 -10.242  -2.286  -4.559
  106    H    GLN  41           H        GLN  41  -5.519  -5.037  -4.736
  107    HA   GLN  41           HA       GLN  41  -5.495  -7.669  -5.931
  108   1HB   GLN  41          1HB       GLN  41  -6.991  -6.530  -7.468
  109   2HB   GLN  41          2HB       GLN  41  -5.847  -5.208  -7.653
  110   1HG   GLN  41          1HG       GLN  41  -4.258  -6.721  -8.713
  111   2HG   GLN  41          2HG       GLN  41  -5.386  -8.059  -8.504
  112   1HE2  GLN  41          1HE2      GLN  41  -6.434  -4.838  -9.357
  113   2HE2  GLN  41          2HE2      GLN  41  -6.914  -5.217 -10.971
  114    H    TYR  42           H        TYR  42  -3.487  -8.343  -6.095
  115    HA   TYR  42           HA       TYR  42  -1.311  -6.386  -5.978
  116   1HB   TYR  42          1HB       TYR  42  -1.302  -8.191  -4.293
  117   2HB   TYR  42          2HB       TYR  42  -1.276  -9.391  -5.578
  118    HD1  TYR  42           HD1      TYR  42   0.764 -10.314  -6.128
  119    HD2  TYR  42           HD2      TYR  42   0.670  -6.400  -4.463
  120    HE1  TYR  42           HE1      TYR  42   3.220 -10.276  -6.107
  121    HE2  TYR  42           HE2      TYR  42   3.133  -6.354  -4.434
  122    HH   TYR  42           HH       TYR  42   5.033  -8.615  -6.088
  123    H    ASN  43           H        ASN  43  -0.210  -5.920  -7.794
  124    HA   ASN  43           HA       ASN  43  -1.042  -7.387 -10.183
  125   1HB   ASN  43          1HB       ASN  43   0.335  -4.703 -10.037
  126   2HB   ASN  43          2HB       ASN  43  -0.427  -5.427 -11.446
  127   1HD2  ASN  43          1HD2      ASN  43  -0.897  -3.757  -8.476
  128   2HD2  ASN  43          2HD2      ASN  43  -2.584  -3.429  -8.682
  129    H    ALA  44           H        ALA  44   0.269  -8.805 -11.026
  130    HA   ALA  44           HA       ALA  44   3.160  -8.241 -11.005
  131   1HB   ALA  44          1HB       ALA  44   1.823 -10.946 -11.167
  132   2HB   ALA  44          2HB       ALA  44   2.602 -10.274  -9.734
  133   3HB   ALA  44          3HB       ALA  44   3.561 -10.636 -11.168
  134    H    ALA  45           H        ALA  45   2.874  -6.951 -12.869
  135    HA   ALA  45           HA       ALA  45   2.715  -8.446 -15.347
  136   1HB   ALA  45          1HB       ALA  45   0.793  -6.192 -14.783
  137   2HB   ALA  45          2HB       ALA  45   0.372  -7.902 -14.905
  138   3HB   ALA  45          3HB       ALA  45   0.978  -7.038 -16.319
  139    H    GLU  46           H        GLU  46   4.835  -7.832 -15.625
  140    HA   GLU  46           HA       GLU  46   5.350  -4.959 -15.990
  141   1HB   GLU  46          1HB       GLU  46   7.189  -7.297 -15.462
  142   2HB   GLU  46          2HB       GLU  46   7.786  -5.726 -15.967
  143   1HG   GLU  46          1HG       GLU  46   7.986  -6.006 -13.570
  144   2HG   GLU  46          2HG       GLU  46   6.860  -4.710 -13.956
  145    H    GLY  47           H        GLY  47   4.037  -6.943 -17.846
  146   1HA   GLY  47          1HA       GLY  47   4.269  -6.546 -20.293
  147   2HA   GLY  47          2HA       GLY  47   5.989  -6.845 -20.069
  148    H    ASP  48           H        ASP  48   4.547  -8.828 -17.980
  149    HA   ASP  48           HA       ASP  48   4.173 -11.023 -19.883
  150   1HB   ASP  48          1HB       ASP  48   6.484 -11.049 -18.838
  151   2HB   ASP  48          2HB       ASP  48   5.699 -11.286 -17.283
  152    H    ILE  49           H        ILE  49   2.665 -12.526 -19.254
  153    HA   ILE  49           HA       ILE  49   0.532 -11.627 -17.695
  154    HB   ILE  49           HB       ILE  49   1.279 -14.336 -18.294
  155   1HG1  ILE  49          1HG1      ILE  49  -0.137 -12.213 -19.901
  156   2HG1  ILE  49          2HG1      ILE  49   1.402 -12.970 -20.285
  157   1HG2  ILE  49          1HG2      ILE  49  -1.150 -14.666 -18.218
  158   2HG2  ILE  49          2HG2      ILE  49  -1.366 -12.981 -17.745
  159   3HG2  ILE  49          3HG2      ILE  49  -0.535 -14.100 -16.665
  160   1HD1  ILE  49          1HD1      ILE  49  -0.411 -13.856 -21.650
  161   2HD1  ILE  49          2HD1      ILE  49  -1.256 -14.380 -20.192
  162   3HD1  ILE  49          3HD1      ILE  49   0.294 -15.103 -20.622
  163    H    THR  50           H        THR  50   3.196 -13.812 -16.953
  164    HA   THR  50           HA       THR  50   4.092 -14.590 -15.040
  165    HB   THR  50           HB       THR  50   2.353 -12.777 -13.651
  166    HG1  THR  50           HG1      THR  50   3.397 -11.581 -15.241
  167   1HG2  THR  50          1HG2      THR  50   3.606 -14.371 -12.284
  168   2HG2  THR  50          2HG2      THR  50   4.214 -12.727 -12.090
  169   3HG2  THR  50          3HG2      THR  50   5.098 -13.882 -13.088
  170    H    GLY  51           H        GLY  51   3.685 -16.105 -13.369
  171   1HA   GLY  51          1HA       GLY  51   1.352 -17.648 -13.688
  172   2HA   GLY  51          2HA       GLY  51   2.538 -17.837 -12.406
  173    H    ARG  52           H        ARG  52  -0.619 -17.299 -12.979
  174    HA   ARG  52           HA       ARG  52  -1.240 -15.303 -11.049
  175   1HB   ARG  52          1HB       ARG  52  -3.555 -16.040 -11.307
  176   2HB   ARG  52          2HB       ARG  52  -2.782 -15.867 -12.877
  177   1HG   ARG  52          1HG       ARG  52  -2.541 -18.244 -13.086
  178   2HG   ARG  52          2HG       ARG  52  -3.118 -18.490 -11.435
  179   1HD   ARG  52          1HD       ARG  52  -5.273 -17.428 -12.121
  180   2HD   ARG  52          2HD       ARG  52  -4.682 -17.431 -13.782
  181    HE   ARG  52           HE       ARG  52  -4.574 -19.904 -13.581
  182   1HH1  ARG  52          1HH1      ARG  52  -6.645 -18.076 -11.422
  183   2HH1  ARG  52          2HH1      ARG  52  -7.736 -19.399 -11.138
  184   1HH2  ARG  52          1HH2      ARG  52  -6.022 -21.641 -13.230
  185   2HH2  ARG  52          2HH2      ARG  52  -7.404 -21.417 -12.194
  186    H    ASP  53           H        ASP  53  -1.676 -15.473  -8.904
  187    HA   ASP  53           HA       ASP  53  -2.028 -18.091  -7.694
  188   1HB   ASP  53          1HB       ASP  53   0.425 -17.762  -7.700
  189   2HB   ASP  53          2HB       ASP  53   0.214 -16.251  -6.822
  190    HA   PRO  54           HA       PRO  54  -4.927 -15.405  -5.677
  191   1HB   PRO  54          1HB       PRO  54  -6.123 -17.288  -4.142
  192   2HB   PRO  54          2HB       PRO  54  -6.419 -17.135  -5.876
  193   1HG   PRO  54          1HG       PRO  54  -4.616 -19.028  -4.420
  194   2HG   PRO  54          2HG       PRO  54  -5.711 -19.348  -5.778
  195   1HD   PRO  54          1HD       PRO  54  -3.040 -19.014  -6.094
  196   2HD   PRO  54          2HD       PRO  54  -4.218 -18.539  -7.335
  197    H    LYS  55           H        LYS  55  -2.410 -17.159  -4.102
  198    HA   LYS  55           HA       LYS  55  -3.067 -15.884  -1.561
  199   1HB   LYS  55          1HB       LYS  55  -1.266 -18.211  -2.198
  200   2HB   LYS  55          2HB       LYS  55  -1.308 -17.446  -0.614
  201   1HG   LYS  55          1HG       LYS  55  -3.699 -18.676  -1.970
  202   2HG   LYS  55          2HG       LYS  55  -2.688 -19.495  -0.775
  203   1HD   LYS  55          1HD       LYS  55  -3.266 -17.876   0.906
  204   2HD   LYS  55          2HD       LYS  55  -4.132 -16.892  -0.274
  205   1HE   LYS  55          1HE       LYS  55  -5.755 -18.682  -0.587
  206   2HE   LYS  55          2HE       LYS  55  -4.879 -19.687   0.568
  207   1HZ   LYS  55          1HZ       LYS  55  -6.859 -18.492   1.476
  208   2HZ   LYS  55          2HZ       LYS  55  -6.018 -17.036   1.261
  209   3HZ   LYS  55          3HZ       LYS  55  -5.417 -18.215   2.320
  210    H    GLN  56           H        GLN  56  -1.529 -15.125  -4.137
  211    HA   GLN  56           HA       GLN  56   0.831 -13.939  -2.875
  212   1HB   GLN  56          1HB       GLN  56   0.898 -15.098  -5.161
  213   2HB   GLN  56          2HB       GLN  56   0.017 -13.706  -5.774
  214   1HG   GLN  56          1HG       GLN  56   2.358 -13.441  -6.227
  215   2HG   GLN  56          2HG       GLN  56   1.855 -12.247  -5.032
  216   1HE2  GLN  56          1HE2      GLN  56   2.628 -12.394  -2.932
  217   2HE2  GLN  56          2HE2      GLN  56   3.936 -13.439  -2.498
  218    H    VAL  57           H        VAL  57  -2.316 -13.250  -4.001
  219    HA   VAL  57           HA       VAL  57  -1.905 -10.361  -3.851
  220    HB   VAL  57           HB       VAL  57  -4.008 -10.154  -4.650
  221   1HG1  VAL  57          1HG1      VAL  57  -2.295 -12.122  -6.163
  222   2HG1  VAL  57          2HG1      VAL  57  -2.150 -10.365  -6.192
  223   3HG1  VAL  57          3HG1      VAL  57  -3.584 -11.142  -6.862
  224   1HG2  VAL  57          1HG2      VAL  57  -4.170 -13.149  -4.826
  225   2HG2  VAL  57          2HG2      VAL  57  -5.397 -11.967  -5.277
  226   3HG2  VAL  57          3HG2      VAL  57  -4.973 -12.193  -3.581
  227    H    ILE  58           H        ILE  58  -4.012  -9.254  -2.893
  228    HA   ILE  58           HA       ILE  58  -4.834  -8.562  -0.896
  229    HB   ILE  58           HB       ILE  58  -6.545  -9.901  -0.117
  230   1HG1  ILE  58          1HG1      ILE  58  -5.628 -11.789  -2.288
  231   2HG1  ILE  58          2HG1      ILE  58  -5.700 -12.137  -0.564
  232   1HG2  ILE  58          1HG2      ILE  58  -7.833  -9.615  -2.181
  233   2HG2  ILE  58          2HG2      ILE  58  -6.331  -9.417  -3.084
  234   3HG2  ILE  58          3HG2      ILE  58  -6.789  -8.230  -1.862
  235   1HD1  ILE  58          1HD1      ILE  58  -7.555 -13.151  -1.733
  236   2HD1  ILE  58          2HD1      ILE  58  -8.040 -11.579  -2.368
  237   3HD1  ILE  58          3HD1      ILE  58  -8.135 -11.897  -0.636
  238    H    GLY  59           H        GLY  59  -2.671  -8.818   0.012
  239   1HA   GLY  59          1HA       GLY  59  -2.192 -10.927   1.890
  240   2HA   GLY  59          2HA       GLY  59  -1.277  -9.431   1.752
  241    H    LYS  60           H        LYS  60  -3.505  -7.663   2.084
  242    HA   LYS  60           HA       LYS  60  -3.788  -7.880   4.968
  243   1HB   LYS  60          1HB       LYS  60  -3.147  -5.717   4.233
  244   2HB   LYS  60          2HB       LYS  60  -4.373  -5.694   2.979
  245   1HG   LYS  60          1HG       LYS  60  -4.989  -4.194   4.748
  246   2HG   LYS  60          2HG       LYS  60  -6.113  -5.551   4.710
  247   1HD   LYS  60          1HD       LYS  60  -4.965  -6.576   6.599
  248   2HD   LYS  60          2HD       LYS  60  -3.780  -5.267   6.606
  249   1HE   LYS  60          1HE       LYS  60  -5.557  -3.656   7.071
  250   2HE   LYS  60          2HE       LYS  60  -6.742  -4.956   7.063
  251   1HZ   LYS  60          1HZ       LYS  60  -6.033  -4.276   9.304
  252   2HZ   LYS  60          2HZ       LYS  60  -4.456  -4.782   8.952
  253   3HZ   LYS  60          3HZ       LYS  60  -5.724  -5.908   8.991
  254    H    ASN  61           H        ASN  61  -5.232  -9.544   5.218
  255    HA   ASN  61           HA       ASN  61  -8.008  -8.777   4.695
  256   1HB   ASN  61          1HB       ASN  61  -7.437 -10.410   2.951
  257   2HB   ASN  61          2HB       ASN  61  -6.865 -11.535   4.179
  258   1HD2  ASN  61          1HD2      ASN  61  -8.279 -13.149   3.745
  259   2HD2  ASN  61          2HD2      ASN  61  -9.980 -13.035   4.040
  260    H    PHE  62           H        PHE  62  -8.278  -8.227   6.786
  261    HA   PHE  62           HA       PHE  62  -9.293 -10.064   8.545
  262   1HB   PHE  62          1HB       PHE  62  -7.647 -10.159  10.371
  263   2HB   PHE  62          2HB       PHE  62  -7.025 -10.925   8.918
  264    HD1  PHE  62           HD1      PHE  62  -6.576  -8.280  11.345
  265    HD2  PHE  62           HD2      PHE  62  -5.267  -9.799   7.591
  266    HE1  PHE  62           HE1      PHE  62  -4.569  -6.863  11.477
  267    HE2  PHE  62           HE2      PHE  62  -3.254  -8.392   7.719
  268    HZ   PHE  62           HZ       PHE  62  -2.842  -7.018   9.739
  269    H    PHE  63           H        PHE  63 -10.476  -8.982  10.043
  270    HA   PHE  63           HA       PHE  63 -10.277  -6.062   9.829
  271   1HB   PHE  63          1HB       PHE  63 -12.604  -7.740  10.795
  272   2HB   PHE  63          2HB       PHE  63 -12.623  -6.008  10.466
  273    HD1  PHE  63           HD1      PHE  63 -12.036  -5.291   8.051
  274    HD2  PHE  63           HD2      PHE  63 -13.222  -9.228   9.146
  275    HE1  PHE  63           HE1      PHE  63 -12.698  -5.733   5.724
  276    HE2  PHE  63           HE2      PHE  63 -13.886  -9.679   6.822
  277    HZ   PHE  63           HZ       PHE  63 -13.578  -7.952   5.097
  278    H    LYS  64           H        LYS  64 -10.330  -8.685  12.155
  279    HA   LYS  64           HA       LYS  64 -10.037  -6.706  14.304
  280   1HB   LYS  64          1HB       LYS  64 -10.838  -9.610  14.413
  281   2HB   LYS  64          2HB       LYS  64 -10.495  -8.641  15.840
  282   1HG   LYS  64          1HG       LYS  64 -12.292  -7.054  15.003
  283   2HG   LYS  64          2HG       LYS  64 -12.734  -8.332  13.867
  284   1HD   LYS  64          1HD       LYS  64 -14.117  -8.441  15.868
  285   2HD   LYS  64          2HD       LYS  64 -13.085  -9.868  15.745
  286   1HE   LYS  64          1HE       LYS  64 -11.534  -8.913  17.349
  287   2HE   LYS  64          2HE       LYS  64 -12.496  -7.440  17.436
  288   1HZ   LYS  64          1HZ       LYS  64 -13.559 -10.112  18.161
  289   2HZ   LYS  64          2HZ       LYS  64 -14.252  -8.594  18.485
  290   3HZ   LYS  64          3HZ       LYS  64 -12.831  -9.068  19.281
  291    H    ASP  65           H        ASP  65  -7.897  -6.224  14.238
  292    HA   ASP  65           HA       ASP  65  -5.951  -8.378  14.451
  293   1HB   ASP  65          1HB       ASP  65  -5.259  -6.535  13.067
  294   2HB   ASP  65          2HB       ASP  65  -5.657  -5.370  14.326
  295    H    VAL  66           H        VAL  66  -5.717  -9.284  16.363
  296    HA   VAL  66           HA       VAL  66  -5.592  -7.526  18.716
  297    HB   VAL  66           HB       VAL  66  -6.247  -9.358  19.990
  298   1HG1  VAL  66          1HG1      VAL  66  -7.722  -7.498  19.419
  299   2HG1  VAL  66          2HG1      VAL  66  -8.613  -9.018  19.484
  300   3HG1  VAL  66          3HG1      VAL  66  -8.181  -8.314  17.924
  301   1HG2  VAL  66          1HG2      VAL  66  -7.066 -10.532  17.343
  302   2HG2  VAL  66          2HG2      VAL  66  -7.450 -11.171  18.942
  303   3HG2  VAL  66          3HG2      VAL  66  -5.778 -11.141  18.381
  304    H    ALA  67           H        ALA  67  -3.550  -8.603  16.856
  305    HA   ALA  67           HA       ALA  67  -2.088 -10.435  18.632
  306   1HB   ALA  67          1HB       ALA  67  -2.452 -11.238  16.352
  307   2HB   ALA  67          2HB       ALA  67  -0.735 -10.985  16.671
  308   3HB   ALA  67          3HB       ALA  67  -1.637  -9.810  15.714
  309    HA   PRO  68           HA       PRO  68   0.762  -7.173  19.667
  310   1HB   PRO  68          1HB       PRO  68   2.709  -9.335  20.118
  311   2HB   PRO  68          2HB       PRO  68   2.064  -8.149  21.257
  312   1HG   PRO  68          1HG       PRO  68   1.364 -10.736  21.366
  313   2HG   PRO  68          2HG       PRO  68   0.223  -9.438  21.764
  314   1HD   PRO  68          1HD       PRO  68   0.449 -11.058  19.255
  315   2HD   PRO  68          2HD       PRO  68  -1.006 -10.526  20.127
  316    H    CYS  69           H        CYS  69   0.805  -6.615  17.377
  317    HA   CYS  69           HA       CYS  69   3.409  -7.248  16.165
  318   1HB   CYS  69          1HB       CYS  69   0.787  -6.915  14.680
  319   2HB   CYS  69          2HB       CYS  69   2.359  -7.168  13.937
  320    H    THR  70           H        THR  70   4.499  -5.482  15.422
  321    HA   THR  70           HA       THR  70   3.565  -2.901  16.175
  322    HB   THR  70           HB       THR  70   5.687  -3.571  14.363
  323    HG1  THR  70           HG1      THR  70   5.663  -3.404  17.222
  324   1HG2  THR  70          1HG2      THR  70   5.103  -1.204  14.487
  325   2HG2  THR  70          2HG2      THR  70   6.641  -1.519  15.288
  326   3HG2  THR  70          3HG2      THR  70   5.183  -1.271  16.247
  327    H    ASP  71           H        ASP  71   2.320  -1.551  15.055
  328    HA   ASP  71           HA       ASP  71   1.365  -2.250  12.467
  329   1HB   ASP  71          1HB       ASP  71   0.066  -0.201  12.540
  330   2HB   ASP  71          2HB       ASP  71  -0.040  -1.023  14.089
  331    H    SER  72           H        SER  72   2.216  -1.862  10.579
  332    HA   SER  72           HA       SER  72   3.760   0.409   9.904
  333   1HB   SER  72          1HB       SER  72   5.431  -0.710  11.322
  334   2HB   SER  72          2HB       SER  72   5.306  -2.159  10.325
  335    HG   SER  72           HG       SER  72   5.780  -0.130   8.697
  336    HA   PRO  73           HA       PRO  73   3.719  -2.960   6.272
  337   1HB   PRO  73          1HB       PRO  73   1.444  -4.574   7.309
  338   2HB   PRO  73          2HB       PRO  73   2.867  -5.091   6.399
  339   1HG   PRO  73          1HG       PRO  73   2.671  -5.594   9.003
  340   2HG   PRO  73          2HG       PRO  73   4.224  -5.125   8.281
  341   1HD   PRO  73          1HD       PRO  73   2.317  -3.496   9.908
  342   2HD   PRO  73          2HD       PRO  73   4.091  -3.499   9.918
  343    H    GLU  74           H        GLU  74   0.719  -2.340   8.063
  344    HA   GLU  74           HA       GLU  74  -0.638  -1.524   5.619
  345   1HB   GLU  74          1HB       GLU  74  -1.695  -1.585   8.450
  346   2HB   GLU  74          2HB       GLU  74  -2.642  -1.458   6.973
  347   1HG   GLU  74          1HG       GLU  74  -2.788  -3.657   6.858
  348   2HG   GLU  74          2HG       GLU  74  -1.029  -3.786   6.801
  349    H    PHE  75           H        PHE  75  -2.235   0.461   6.236
  350    HA   PHE  75           HA       PHE  75  -2.533   2.650   6.721
  351   1HB   PHE  75          1HB       PHE  75  -0.077   2.357   8.458
  352   2HB   PHE  75          2HB       PHE  75  -1.093   3.793   8.392
  353    HD1  PHE  75           HD1      PHE  75  -0.582   0.608   9.900
  354    HD2  PHE  75           HD2      PHE  75  -3.558   3.521   9.018
  355    HE1  PHE  75           HE1      PHE  75  -2.036  -0.361  11.628
  356    HE2  PHE  75           HE2      PHE  75  -5.019   2.553  10.746
  357    HZ   PHE  75           HZ       PHE  75  -4.260   0.610  12.053
  358    H    TYR  76           H        TYR  76   0.627   1.616   5.695
  359    HA   TYR  76           HA       TYR  76   2.123   2.441   4.214
  360   1HB   TYR  76          1HB       TYR  76  -0.467   3.328   2.953
  361   2HB   TYR  76          2HB       TYR  76   1.089   3.412   2.132
  362    HD1  TYR  76           HD1      TYR  76   2.325   1.316   1.614
  363    HD2  TYR  76           HD2      TYR  76  -1.632   1.257   3.187
  364    HE1  TYR  76           HE1      TYR  76   2.086  -1.030   0.914
  365    HE2  TYR  76           HE2      TYR  76  -1.875  -1.088   2.493
  366    HH   TYR  76           HH       TYR  76  -0.890  -2.609   0.803
  367    H    GLY  77           H        GLY  77   0.131   5.226   3.364
  368   1HA   GLY  77          1HA       GLY  77   1.922   6.932   4.941
  369   2HA   GLY  77          2HA       GLY  77   1.883   7.144   3.195
  370    H    LYS  78           H        LYS  78   0.329   7.765   6.186
  371    HA   LYS  78           HA       LYS  78  -1.317   9.216   6.770
  372   1HB   LYS  78          1HB       LYS  78  -0.632  10.119   4.021
  373   2HB   LYS  78          2HB       LYS  78  -2.121  10.728   4.721
  374   1HG   LYS  78          1HG       LYS  78   0.472  10.922   6.200
  375   2HG   LYS  78          2HG       LYS  78   0.013  12.117   4.984
  376   1HD   LYS  78          1HD       LYS  78  -2.118  12.462   6.229
  377   2HD   LYS  78          2HD       LYS  78  -1.501  11.396   7.493
  378   1HE   LYS  78          1HE       LYS  78   0.320  12.901   7.938
  379   2HE   LYS  78          2HE       LYS  78  -0.128  13.914   6.566
  380   1HZ   LYS  78          1HZ       LYS  78  -2.195  14.459   7.677
  381   2HZ   LYS  78          2HZ       LYS  78  -0.871  14.853   8.666
  382   3HZ   LYS  78          3HZ       LYS  78  -1.786  13.461   8.989
  383    H    PHE  79           H        PHE  79  -1.894   6.526   5.394
  384    HA   PHE  79           HA       PHE  79  -4.060   6.599   3.701
  385   1HB   PHE  79          1HB       PHE  79  -2.763   4.559   4.452
  386   2HB   PHE  79          2HB       PHE  79  -3.761   4.555   5.901
  387    HD1  PHE  79           HD1      PHE  79  -5.971   3.690   5.865
  388    HD2  PHE  79           HD2      PHE  79  -3.798   4.193   2.241
  389    HE1  PHE  79           HE1      PHE  79  -7.670   2.378   4.665
  390    HE2  PHE  79           HE2      PHE  79  -5.493   2.883   1.037
  391    HZ   PHE  79           HZ       PHE  79  -7.431   1.977   2.244
  392    H    LYS  80           H        LYS  80  -4.006   7.054   7.157
  393    HA   LYS  80           HA       LYS  80  -6.757   6.717   7.713
  394   1HB   LYS  80          1HB       LYS  80  -4.725   8.483   9.102
  395   2HB   LYS  80          2HB       LYS  80  -6.280   8.006   9.763
  396   1HG   LYS  80          1HG       LYS  80  -5.602   5.751   9.988
  397   2HG   LYS  80          2HG       LYS  80  -4.155   6.018   9.012
  398   1HD   LYS  80          1HD       LYS  80  -3.620   5.901  11.402
  399   2HD   LYS  80          2HD       LYS  80  -3.245   7.489  10.730
  400   1HE   LYS  80          1HE       LYS  80  -5.415   8.314  11.609
  401   2HE   LYS  80          2HE       LYS  80  -5.665   6.742  12.368
  402   1HZ   LYS  80          1HZ       LYS  80  -3.421   8.609  12.941
  403   2HZ   LYS  80          2HZ       LYS  80  -3.649   7.093  13.669
  404   3HZ   LYS  80          3HZ       LYS  80  -4.769   8.340  13.937
  405    H    GLU  81           H        GLU  81  -4.804   9.465   6.794
  406    HA   GLU  81           HA       GLU  81  -7.067  11.284   6.844
  407   1HB   GLU  81          1HB       GLU  81  -4.787  11.881   7.705
  408   2HB   GLU  81          2HB       GLU  81  -4.185  11.767   6.060
  409   1HG   GLU  81          1HG       GLU  81  -5.391  13.653   5.375
  410   2HG   GLU  81          2HG       GLU  81  -6.396  13.641   6.825
  411    H    GLY  82           H        GLY  82  -5.252   9.371   4.634
  412   1HA   GLY  82          1HA       GLY  82  -5.706  10.673   2.238
  413   2HA   GLY  82          2HA       GLY  82  -5.401   8.964   2.430
  414    H    VAL  83           H        VAL  83  -7.512   8.210   3.947
  415    HA   VAL  83           HA       VAL  83  -9.563   7.877   2.013
  416    HB   VAL  83           HB       VAL  83  -9.563   7.540   4.866
  417   1HG1  VAL  83          1HG1      VAL  83 -11.822   7.627   3.932
  418   2HG1  VAL  83          2HG1      VAL  83 -11.403   5.976   4.389
  419   3HG1  VAL  83          3HG1      VAL  83 -11.366   6.459   2.692
  420   1HG2  VAL  83          1HG2      VAL  83  -9.079   5.211   4.306
  421   2HG2  VAL  83          2HG2      VAL  83  -7.787   6.296   3.793
  422   3HG2  VAL  83          3HG2      VAL  83  -8.926   5.658   2.607
  423    H    ALA  84           H        ALA  84  -9.280   9.841   4.940
  424    HA   ALA  84           HA       ALA  84 -11.988  10.766   4.800
  425   1HB   ALA  84          1HB       ALA  84 -10.845  10.484   6.958
  426   2HB   ALA  84          2HB       ALA  84 -11.422  12.135   6.734
  427   3HB   ALA  84          3HB       ALA  84  -9.712  11.760   6.513
  428    H    SER  85           H        SER  85  -8.885  11.878   3.744
  429    HA   SER  85           HA       SER  85  -9.623  14.515   3.042
  430   1HB   SER  85          1HB       SER  85  -7.266  13.619   3.021
  431   2HB   SER  85          2HB       SER  85  -7.667  12.743   1.546
  432    HG   SER  85           HG       SER  85  -7.012  15.354   1.883
  433    H    GLY  86           H        GLY  86 -10.022  11.396   1.489
  434   1HA   GLY  86          1HA       GLY  86 -12.042  10.929   0.301
  435   2HA   GLY  86          2HA       GLY  86 -12.127  12.623  -0.162
  436    H    ASN  87           H        ASN  87  -8.997  11.626  -0.460
  437    HA   ASN  87           HA       ASN  87  -9.010  10.290  -2.914
  438   1HB   ASN  87          1HB       ASN  87  -8.182  12.192  -4.376
  439   2HB   ASN  87          2HB       ASN  87  -9.900  12.151  -4.031
  440   1HD2  ASN  87          1HD2      ASN  87  -7.387  13.348  -1.845
  441   2HD2  ASN  87          2HD2      ASN  87  -7.905  15.001  -1.878
  442    H    LEU  88           H        LEU  88  -7.591   9.507  -1.077
  443    HA   LEU  88           HA       LEU  88  -5.015  10.417  -0.674
  444   1HB   LEU  88          1HB       LEU  88  -6.369   8.249   0.087
  445   2HB   LEU  88          2HB       LEU  88  -5.392   7.521  -1.176
  446    HG   LEU  88           HG       LEU  88  -4.361   9.069   1.147
  447   1HD1  LEU  88          1HD1      LEU  88  -3.569   6.891   1.988
  448   2HD1  LEU  88          2HD1      LEU  88  -4.419   6.101   0.661
  449   3HD1  LEU  88          3HD1      LEU  88  -5.327   6.984   1.889
  450   1HD2  LEU  88          1HD2      LEU  88  -2.159   8.209   0.508
  451   2HD2  LEU  88          2HD2      LEU  88  -2.869   9.216  -0.756
  452   3HD2  LEU  88          3HD2      LEU  88  -2.882   7.460  -0.917
  453    H    ASN  89           H        ASN  89  -4.327  11.400  -2.658
  454    HA   ASN  89           HA       ASN  89  -2.965   9.441  -4.327
  455   1HB   ASN  89          1HB       ASN  89  -4.924   9.942  -5.659
  456   2HB   ASN  89          2HB       ASN  89  -4.687  11.667  -5.428
  457   1HD2  ASN  89          1HD2      ASN  89  -4.621  11.972  -7.696
  458   2HD2  ASN  89          2HD2      ASN  89  -3.215  11.550  -8.616
  459    H    THR  90           H        THR  90  -0.934   9.906  -3.706
  460    HA   THR  90           HA       THR  90   0.192  12.421  -4.456
  461    HB   THR  90           HB       THR  90  -0.832  12.977  -2.497
  462    HG1  THR  90           HG1      THR  90   1.861  12.915  -1.787
  463   1HG2  THR  90          1HG2      THR  90  -0.834  10.833  -1.355
  464   2HG2  THR  90          2HG2      THR  90  -0.049  12.072  -0.377
  465   3HG2  THR  90          3HG2      THR  90   0.927  10.882  -1.240
  466    H    MET  91           H        MET  91   2.451  12.472  -4.262
  467    HA   MET  91           HA       MET  91   3.737   9.877  -3.927
  468   1HB   MET  91          1HB       MET  91   5.770  11.003  -4.752
  469   2HB   MET  91          2HB       MET  91   4.426  11.198  -5.861
  470   1HG   MET  91          1HG       MET  91   4.041  13.462  -4.881
  471   2HG   MET  91          2HG       MET  91   5.515  13.244  -3.943
  472   1HE   MET  91          1HE       MET  91   5.317  13.561  -8.535
  473   2HE   MET  91          2HE       MET  91   3.939  13.796  -7.459
  474   3HE   MET  91          3HE       MET  91   4.650  12.193  -7.645
  475    H    PHE  92           H        PHE  92   5.087   9.390  -2.264
  476    HA   PHE  92           HA       PHE  92   5.784  11.446  -0.332
  477   1HB   PHE  92          1HB       PHE  92   3.522  10.628   0.332
  478   2HB   PHE  92          2HB       PHE  92   4.183   9.006   0.481
  479    HD1  PHE  92           HD1      PHE  92   5.394  12.355   1.606
  480    HD2  PHE  92           HD2      PHE  92   4.245   8.403   2.687
  481    HE1  PHE  92           HE1      PHE  92   5.979  12.831   3.948
  482    HE2  PHE  92           HE2      PHE  92   4.836   8.870   5.029
  483    HZ   PHE  92           HZ       PHE  92   5.702  11.086   5.661
  484    H    GLU  93           H        GLU  93   7.905  11.145  -0.230
  485    HA   GLU  93           HA       GLU  93   8.944   8.409  -0.293
  486   1HB   GLU  93          1HB       GLU  93  10.381  11.056  -0.619
  487   2HB   GLU  93          2HB       GLU  93  11.106   9.463  -0.799
  488   1HG   GLU  93          1HG       GLU  93   9.706   9.001  -2.713
  489   2HG   GLU  93          2HG       GLU  93   8.875  10.542  -2.507
  490    H    TYR  94           H        TYR  94   9.033   7.592   1.736
  491    HA   TYR  94           HA       TYR  94  10.133   9.341   3.830
  492   1HB   TYR  94          1HB       TYR  94   8.719   8.212   5.487
  493   2HB   TYR  94          2HB       TYR  94   7.764   9.020   4.254
  494    HD1  TYR  94           HD1      TYR  94   8.458   5.898   5.907
  495    HD2  TYR  94           HD2      TYR  94   6.710   7.616   2.428
  496    HE1  TYR  94           HE1      TYR  94   7.248   3.797   5.485
  497    HE2  TYR  94           HE2      TYR  94   5.491   5.524   2.002
  498    HH   TYR  94           HH       TYR  94   5.734   3.110   2.550
  499    H    THR  95           H        THR  95  11.378   8.366   5.458
  500    HA   THR  95           HA       THR  95  12.612   5.833   4.572
  501    HB   THR  95           HB       THR  95  13.867   7.916   6.083
  502    HG1  THR  95           HG1      THR  95  12.894   8.155   3.666
  503   1HG2  THR  95          1HG2      THR  95  15.869   6.902   5.088
  504   2HG2  THR  95          2HG2      THR  95  14.857   5.677   4.326
  505   3HG2  THR  95          3HG2      THR  95  14.973   5.755   6.083
  506    H    PHE  96           H        PHE  96  13.265   4.383   6.170
  507    HA   PHE  96           HA       PHE  96  12.070   4.727   8.801
  508   1HB   PHE  96          1HB       PHE  96  13.690   2.452   7.621
  509   2HB   PHE  96          2HB       PHE  96  12.958   2.435   9.222
  510    HD1  PHE  96           HD1      PHE  96  10.487   2.416   9.442
  511    HD2  PHE  96           HD2      PHE  96  12.421   2.015   5.671
  512    HE1  PHE  96           HE1      PHE  96   8.406   1.528   8.471
  513    HE2  PHE  96           HE2      PHE  96  10.346   1.124   4.696
  514    HZ   PHE  96           HZ       PHE  96   8.327   0.887   6.105
  515    H    ASP  97           H        ASP  97  13.157   5.438  10.542
  516    HA   ASP  97           HA       ASP  97  15.668   6.649  10.304
  517   1HB   ASP  97          1HB       ASP  97  14.166   5.763  12.773
  518   2HB   ASP  97          2HB       ASP  97  15.629   6.739  12.816
  519    H    TYR  98           H        TYR  98  14.758   3.569  11.811
  520    HA   TYR  98           HA       TYR  98  17.506   2.677  11.298
  521   1HB   TYR  98          1HB       TYR  98  15.990   2.561  13.847
  522   2HB   TYR  98          2HB       TYR  98  16.943   1.142  13.425
  523    HD1  TYR  98           HD1      TYR  98  19.350   1.221  13.394
  524    HD2  TYR  98           HD2      TYR  98  17.088   4.706  14.316
  525    HE1  TYR  98           HE1      TYR  98  21.384   2.310  14.236
  526    HE2  TYR  98           HE2      TYR  98  19.119   5.806  15.160
  527    HH   TYR  98           HH       TYR  98  21.321   5.134  16.085
  528    H    GLN  99           H        GLN  99  14.746   0.981  12.714
  529    HA   GLN  99           HA       GLN  99  13.609  -0.885  12.121
  530   1HB   GLN  99          1HB       GLN  99  13.114   0.431  10.043
  531   2HB   GLN  99          2HB       GLN  99  14.505  -0.330   9.287
  532   1HG   GLN  99          1HG       GLN  99  12.462  -1.413   8.601
  533   2HG   GLN  99          2HG       GLN  99  13.452  -2.517   9.553
  534   1HE2  GLN  99          1HE2      GLN  99  11.628  -3.778  10.014
  535   2HE2  GLN  99          2HE2      GLN  99  10.454  -3.270  11.178
  536    H    MET 100           H        MET 100  16.327  -0.911   9.847
  537    HA   MET 100           HA       MET 100  17.946  -2.655  11.359
  538   1HB   MET 100          1HB       MET 100  16.275  -4.341  10.658
  539   2HB   MET 100          2HB       MET 100  16.572  -3.925   8.974
  540   1HG   MET 100          1HG       MET 100  17.734  -5.964   9.610
  541   2HG   MET 100          2HG       MET 100  18.867  -4.687   9.170
  542   1HE   MET 100          1HE       MET 100  20.883  -5.973  10.299
  543   2HE   MET 100          2HE       MET 100  19.787  -7.292  10.710
  544   3HE   MET 100          3HE       MET 100  20.840  -6.604  11.945
  545    H    THR 101           H        THR 101  17.116  -2.170   7.951
  546    HA   THR 101           HA       THR 101  19.736  -0.877   7.550
  547    HB   THR 101           HB       THR 101  18.168  -2.299   5.604
  548    HG1  THR 101           HG1      THR 101  20.477  -3.334   6.856
  549   1HG2  THR 101          1HG2      THR 101  20.309  -2.338   4.431
  550   2HG2  THR 101          2HG2      THR 101  21.038  -1.392   5.730
  551   3HG2  THR 101          3HG2      THR 101  19.764  -0.688   4.733
  552    HA   PRO 102           HA       PRO 102  16.540   2.360   7.253
  553   1HB   PRO 102          1HB       PRO 102  18.462   4.225   6.344
  554   2HB   PRO 102          2HB       PRO 102  17.873   4.018   7.995
  555   1HG   PRO 102          1HG       PRO 102  20.343   2.964   6.717
  556   2HG   PRO 102          2HG       PRO 102  20.067   3.456   8.397
  557   1HD   PRO 102          1HD       PRO 102  20.238   0.879   7.727
  558   2HD   PRO 102          2HD       PRO 102  19.079   1.427   8.957
  559    H    THR 103           H        THR 103  15.303   1.769   5.534
  560    HA   THR 103           HA       THR 103  16.356   2.302   2.846
  561    HB   THR 103           HB       THR 103  13.892   1.013   3.552
  562    HG1  THR 103           HG1      THR 103  16.285   0.183   4.213
  563   1HG2  THR 103          1HG2      THR 103  14.209   0.025   1.348
  564   2HG2  THR 103          2HG2      THR 103  15.682   0.972   1.134
  565   3HG2  THR 103          3HG2      THR 103  14.122   1.784   1.257
  566    H    LYS 104           H        LYS 104  15.526   3.917   1.636
  567    HA   LYS 104           HA       LYS 104  13.180   5.348   2.644
  568   1HB   LYS 104          1HB       LYS 104  15.142   6.704   1.960
  569   2HB   LYS 104          2HB       LYS 104  15.016   6.043   0.333
  570   1HG   LYS 104          1HG       LYS 104  12.599   6.974   0.398
  571   2HG   LYS 104          2HG       LYS 104  13.191   7.958   1.735
  572   1HD   LYS 104          1HD       LYS 104  14.434   7.868  -1.010
  573   2HD   LYS 104          2HD       LYS 104  13.287   9.094  -0.472
  574   1HE   LYS 104          1HE       LYS 104  14.867   9.713   1.332
  575   2HE   LYS 104          2HE       LYS 104  16.017   8.542   0.681
  576   1HZ   LYS 104          1HZ       LYS 104  16.509  10.764  -0.126
  577   2HZ   LYS 104          2HZ       LYS 104  14.942  10.908  -0.764
  578   3HZ   LYS 104          3HZ       LYS 104  16.017   9.770  -1.412
  579    H    VAL 105           H        VAL 105  11.226   4.874   1.820
  580    HA   VAL 105           HA       VAL 105  11.162   3.599  -0.799
  581    HB   VAL 105           HB       VAL 105   8.930   3.219  -0.394
  582   1HG1  VAL 105          1HG1      VAL 105   9.399   1.397   1.199
  583   2HG1  VAL 105          2HG1      VAL 105  10.953   2.142   1.571
  584   3HG1  VAL 105          3HG1      VAL 105  10.636   1.528  -0.052
  585   1HG2  VAL 105          1HG2      VAL 105   8.099   3.375   1.884
  586   2HG2  VAL 105          2HG2      VAL 105   8.489   4.966   1.231
  587   3HG2  VAL 105          3HG2      VAL 105   9.583   4.191   2.376
  588    H    LYS 106           H        LYS 106   9.593   4.242  -2.321
  589    HA   LYS 106           HA       LYS 106   8.888   7.096  -2.120
  590   1HB   LYS 106          1HB       LYS 106   9.985   5.677  -4.563
  591   2HB   LYS 106          2HB       LYS 106   9.529   7.372  -4.473
  592   1HG   LYS 106          1HG       LYS 106  11.378   7.918  -3.149
  593   2HG   LYS 106          2HG       LYS 106  11.677   6.234  -2.714
  594   1HD   LYS 106          1HD       LYS 106  13.320   7.012  -4.338
  595   2HD   LYS 106          2HD       LYS 106  12.307   5.748  -5.033
  596   1HE   LYS 106          1HE       LYS 106  12.430   7.338  -6.726
  597   2HE   LYS 106          2HE       LYS 106  10.887   7.684  -5.952
  598   1HZ   LYS 106          1HZ       LYS 106  12.170   9.386  -4.603
  599   2HZ   LYS 106          2HZ       LYS 106  11.919   9.742  -6.240
  600   3HZ   LYS 106          3HZ       LYS 106  13.428   9.180  -5.726
  601    H    VAL 107           H        VAL 107   6.683   7.031  -2.029
  602    HA   VAL 107           HA       VAL 107   5.399   5.015  -3.742
  603    HB   VAL 107           HB       VAL 107   3.422   5.556  -2.563
  604   1HG1  VAL 107          1HG1      VAL 107   4.061   4.023  -0.774
  605   2HG1  VAL 107          2HG1      VAL 107   5.768   4.320  -1.104
  606   3HG1  VAL 107          3HG1      VAL 107   4.764   3.509  -2.308
  607   1HG2  VAL 107          1HG2      VAL 107   3.672   6.433  -0.330
  608   2HG2  VAL 107          2HG2      VAL 107   4.135   7.635  -1.537
  609   3HG2  VAL 107          3HG2      VAL 107   5.376   6.771  -0.631
  610    H    HIS 108           H        HIS 108   4.024   5.534  -5.292
  611    HA   HIS 108           HA       HIS 108   2.732   8.161  -5.034
  612   1HB   HIS 108          1HB       HIS 108   3.896   7.920  -7.223
  613   2HB   HIS 108          2HB       HIS 108   2.966   6.460  -7.540
  614    HD1  HIS 108           HD1      HIS 108   1.935   7.569  -9.669
  615    HD2  HIS 108           HD2      HIS 108   1.052   9.528  -6.101
  616    HE1  HIS 108           HE1      HIS 108   0.049   9.150 -10.201
  617    HE2  HIS 108           HE2      HIS 108  -0.597  10.168  -7.988
  618    H    MET 109           H        MET 109   1.057   7.733  -3.824
  619    HA   MET 109           HA       MET 109  -0.452   5.262  -4.308
  620   1HB   MET 109          1HB       MET 109  -1.459   5.881  -2.001
  621   2HB   MET 109          2HB       MET 109   0.158   5.197  -2.057
  622   1HG   MET 109          1HG       MET 109   1.070   7.505  -1.907
  623   2HG   MET 109          2HG       MET 109  -0.579   8.092  -1.690
  624   1HE   MET 109          1HE       MET 109   2.261   5.812  -0.195
  625   2HE   MET 109          2HE       MET 109   0.881   4.719  -0.315
  626   3HE   MET 109          3HE       MET 109   1.482   5.210   1.270
  627    H    LYS 110           H        LYS 110  -2.558   5.408  -4.965
  628    HA   LYS 110           HA       LYS 110  -3.582   8.122  -5.338
  629   1HB   LYS 110          1HB       LYS 110  -3.962   7.631  -7.764
  630   2HB   LYS 110          2HB       LYS 110  -2.269   7.790  -7.321
  631   1HG   LYS 110          1HG       LYS 110  -2.107   5.326  -7.229
  632   2HG   LYS 110          2HG       LYS 110  -3.772   5.228  -7.798
  633   1HD   LYS 110          1HD       LYS 110  -1.523   6.577  -9.286
  634   2HD   LYS 110          2HD       LYS 110  -2.084   4.934  -9.594
  635   1HE   LYS 110          1HE       LYS 110  -4.345   5.870 -10.064
  636   2HE   LYS 110          2HE       LYS 110  -3.653   7.486  -9.911
  637   1HZ   LYS 110          1HZ       LYS 110  -2.095   6.882 -11.716
  638   2HZ   LYS 110          2HZ       LYS 110  -3.720   6.892 -12.208
  639   3HZ   LYS 110          3HZ       LYS 110  -2.932   5.420 -11.914
  640    H    LYS 111           H        LYS 111  -5.706   8.190  -4.985
  641    HA   LYS 111           HA       LYS 111  -7.333   6.062  -4.521
  642   1HB   LYS 111          1HB       LYS 111  -7.856   8.319  -3.966
  643   2HB   LYS 111          2HB       LYS 111  -7.903   8.776  -5.654
  644   1HG   LYS 111          1HG       LYS 111  -9.888   7.367  -5.974
  645   2HG   LYS 111          2HG       LYS 111  -9.839   6.933  -4.262
  646   1HD   LYS 111          1HD       LYS 111 -10.196   9.218  -3.623
  647   2HD   LYS 111          2HD       LYS 111 -10.072   9.751  -5.300
  648   1HE   LYS 111          1HE       LYS 111 -12.098   8.441  -5.826
  649   2HE   LYS 111          2HE       LYS 111 -12.221   7.971  -4.131
  650   1HZ   LYS 111          1HZ       LYS 111 -12.415  10.733  -5.214
  651   2HZ   LYS 111          2HZ       LYS 111 -12.438  10.336  -3.564
  652   3HZ   LYS 111          3HZ       LYS 111 -13.687   9.802  -4.581
  653    H    ALA 112           H        ALA 112  -7.611   4.409  -5.756
  654    HA   ALA 112           HA       ALA 112  -7.197   4.141  -8.464
  655   1HB   ALA 112          1HB       ALA 112  -8.391   2.035  -8.285
  656   2HB   ALA 112          2HB       ALA 112  -9.079   2.531  -6.740
  657   3HB   ALA 112          3HB       ALA 112  -7.340   2.270  -6.890
  658    H    LEU 113           H        LEU 113  -8.472   4.356 -10.252
  659    HA   LEU 113           HA       LEU 113 -10.718   6.109 -10.043
  660   1HB   LEU 113          1HB       LEU 113  -9.651   4.649 -12.459
  661   2HB   LEU 113          2HB       LEU 113 -10.758   6.010 -12.477
  662    HG   LEU 113           HG       LEU 113  -7.898   6.090 -11.510
  663   1HD1  LEU 113          1HD1      LEU 113  -7.512   7.474 -13.494
  664   2HD1  LEU 113          2HD1      LEU 113  -9.176   7.193 -14.007
  665   3HD1  LEU 113          3HD1      LEU 113  -8.040   5.847 -13.922
  666   1HD2  LEU 113          1HD2      LEU 113  -8.237   8.504 -11.372
  667   2HD2  LEU 113          2HD2      LEU 113  -9.339   7.645 -10.296
  668   3HD2  LEU 113          3HD2      LEU 113  -9.928   8.299 -11.824
  669    H    SER 114           H        SER 114 -10.531   2.973  -9.394
  670    HA   SER 114           HA       SER 114 -12.844   1.976 -10.780
  671   1HB   SER 114          1HB       SER 114 -11.421   0.772  -8.398
  672   2HB   SER 114          2HB       SER 114 -12.429  -0.062  -9.581
  673    HG   SER 114           HG       SER 114 -10.839   0.552 -11.179
  674    H    GLY 115           H        GLY 115 -12.135   3.373  -7.625
  675   1HA   GLY 115          1HA       GLY 115 -14.293   4.588  -6.886
  676   2HA   GLY 115          2HA       GLY 115 -14.937   2.954  -6.808
  677    H    ASP 116           H        ASP 116 -13.568   5.404  -5.125
  678    HA   ASP 116           HA       ASP 116 -12.178   5.601  -3.283
  679   1HB   ASP 116          1HB       ASP 116 -14.585   5.633  -2.601
  680   2HB   ASP 116          2HB       ASP 116 -14.400   3.948  -2.113
  681    H    SER 117           H        SER 117 -10.529   4.269  -4.131
  682    HA   SER 117           HA       SER 117  -9.667   2.315  -2.206
  683   1HB   SER 117          1HB       SER 117  -8.922   0.901  -4.292
  684   2HB   SER 117          2HB       SER 117 -10.513   0.676  -3.580
  685    HG   SER 117           HG       SER 117 -11.433   1.801  -5.214
  686    H    TYR 118           H        TYR 118  -7.287   1.983  -2.564
  687    HA   TYR 118           HA       TYR 118  -6.172   4.225  -4.100
  688   1HB   TYR 118          1HB       TYR 118  -5.274   3.689  -1.270
  689   2HB   TYR 118          2HB       TYR 118  -4.924   5.088  -2.294
  690    HD1  TYR 118           HD1      TYR 118  -7.126   3.681   0.116
  691    HD2  TYR 118           HD2      TYR 118  -6.797   6.628  -2.901
  692    HE1  TYR 118           HE1      TYR 118  -9.035   4.887   1.110
  693    HE2  TYR 118           HE2      TYR 118  -8.710   7.848  -1.941
  694    HH   TYR 118           HH       TYR 118  -9.786   7.561   1.002
  695    H    TRP 119           H        TRP 119  -4.334   3.825  -5.140
  696    HA   TRP 119           HA       TRP 119  -3.167   1.191  -4.958
  697   1HB   TRP 119          1HB       TRP 119  -2.652   3.604  -6.687
  698   2HB   TRP 119          2HB       TRP 119  -1.644   2.151  -6.753
  699    HD1  TRP 119           HD1      TRP 119  -5.400   3.083  -7.221
  700    HE1  TRP 119           HE1      TRP 119  -6.325   1.511  -9.078
  701    HE3  TRP 119           HE3      TRP 119  -1.217   0.313  -8.090
  702    HZ2  TRP 119           HZ2      TRP 119  -5.354  -0.636 -10.666
  703    HZ3  TRP 119           HZ3      TRP 119  -1.269  -1.438  -9.759
  704    HH2  TRP 119           HH2      TRP 119  -3.294  -1.918 -11.050
  705    H    VAL 120           H        VAL 120  -0.878   0.946  -4.903
  706    HA   VAL 120           HA       VAL 120   0.680   3.091  -3.658
  707    HB   VAL 120           HB       VAL 120   0.614   0.314  -2.887
  708   1HG1  VAL 120          1HG1      VAL 120   2.893   1.188  -2.898
  709   2HG1  VAL 120          2HG1      VAL 120   2.308   1.017  -1.242
  710   3HG1  VAL 120          3HG1      VAL 120   2.366   2.610  -1.998
  711   1HG2  VAL 120          1HG2      VAL 120  -0.122   2.829  -1.411
  712   2HG2  VAL 120          2HG2      VAL 120  -0.047   1.209  -0.717
  713   3HG2  VAL 120          3HG2      VAL 120  -1.234   1.582  -1.967
  714    H    PHE 121           H        PHE 121   1.764   3.436  -5.589
  715    HA   PHE 121           HA       PHE 121   3.327   1.220  -6.706
  716   1HB   PHE 121          1HB       PHE 121   3.229   4.144  -7.499
  717   2HB   PHE 121          2HB       PHE 121   4.146   2.898  -8.326
  718    HD1  PHE 121           HD1      PHE 121   0.768   4.153  -7.608
  719    HD2  PHE 121           HD2      PHE 121   3.119   1.412  -9.849
  720    HE1  PHE 121           HE1      PHE 121  -1.156   3.709  -9.076
  721    HE2  PHE 121           HE2      PHE 121   1.204   0.961 -11.322
  722    HZ   PHE 121           HZ       PHE 121  -0.938   2.110 -10.938
  723    H    VAL 122           H        VAL 122   5.012   0.723  -5.388
  724    HA   VAL 122           HA       VAL 122   6.479   2.965  -4.163
  725    HB   VAL 122           HB       VAL 122   5.235   1.677  -2.738
  726   1HG1  VAL 122          1HG1      VAL 122   5.325  -0.477  -3.842
  727   2HG1  VAL 122          2HG1      VAL 122   5.957  -0.602  -2.199
  728   3HG1  VAL 122          3HG1      VAL 122   7.065  -0.566  -3.572
  729   1HG2  VAL 122          1HG2      VAL 122   7.018   1.304  -1.114
  730   2HG2  VAL 122          2HG2      VAL 122   7.184   2.851  -1.946
  731   3HG2  VAL 122          3HG2      VAL 122   8.215   1.495  -2.397
  732    H    LYS 123           H        LYS 123   8.700   2.873  -3.994
  733    HA   LYS 123           HA       LYS 123  10.142   0.576  -4.975
  734   1HB   LYS 123          1HB       LYS 123  11.653   2.072  -6.378
  735   2HB   LYS 123          2HB       LYS 123  10.078   1.697  -7.057
  736   1HG   LYS 123          1HG       LYS 123  10.510   4.233  -5.525
  737   2HG   LYS 123          2HG       LYS 123  10.993   4.103  -7.219
  738   1HD   LYS 123          1HD       LYS 123   8.692   3.451  -7.808
  739   2HD   LYS 123          2HD       LYS 123   8.221   3.631  -6.117
  740   1HE   LYS 123          1HE       LYS 123   8.978   6.017  -6.262
  741   2HE   LYS 123          2HE       LYS 123   9.176   5.776  -7.998
  742   1HZ   LYS 123          1HZ       LYS 123   6.645   5.460  -6.485
  743   2HZ   LYS 123          2HZ       LYS 123   6.828   5.218  -8.153
  744   3HZ   LYS 123          3HZ       LYS 123   7.041   6.765  -7.492
  745    H    ARG 124           H        ARG 124  12.287   0.519  -4.192
  746    HA   ARG 124           HA       ARG 124  12.551   2.276  -1.840
  747   1HB   ARG 124          1HB       ARG 124  13.649   0.313  -0.719
  748   2HB   ARG 124          2HB       ARG 124  11.935   0.123  -1.054
  749   1HG   ARG 124          1HG       ARG 124  12.457  -1.240  -3.007
  750   2HG   ARG 124          2HG       ARG 124  14.181  -1.039  -2.686
  751   1HD   ARG 124          1HD       ARG 124  13.334  -3.192  -1.869
  752   2HD   ARG 124          2HD       ARG 124  13.951  -2.180  -0.564
  753    HE   ARG 124           HE       ARG 124  11.174  -1.775  -0.845
  754   1HH1  ARG 124          1HH1      ARG 124  13.445  -4.218   0.234
  755   2HH1  ARG 124          2HH1      ARG 124  12.356  -4.882   1.423
  756   1HH2  ARG 124          1HH2      ARG 124   9.741  -2.645   0.694
  757   2HH2  ARG 124          2HH2      ARG 124  10.241  -3.996   1.676
  758    H    VAL 125           H        VAL 125  14.490   3.064  -1.273
  759    HA   VAL 125           HA       VAL 125  16.693   2.707  -3.179
  760    HB   VAL 125           HB       VAL 125  16.408   4.555  -0.994
  761   1HG1  VAL 125          1HG1      VAL 125  18.239   4.420  -3.387
  762   2HG1  VAL 125          2HG1      VAL 125  18.702   4.145  -1.708
  763   3HG1  VAL 125          3HG1      VAL 125  18.165   5.745  -2.223
  764   1HG2  VAL 125          1HG2      VAL 125  15.754   4.879  -3.910
  765   2HG2  VAL 125          2HG2      VAL 125  15.784   6.164  -2.705
  766   3HG2  VAL 125          3HG2      VAL 125  14.598   4.864  -2.578
  767    H2   HC4 169           H2       HC4 169   2.957 -10.765  16.698
  768    H3   HC4 169           H3       HC4 169   4.821 -11.835  16.953
  769    H2'  HC4 169           H2'      HC4 169   7.069 -12.578  16.537
  770    H3'  HC4 169           H3'      HC4 169   9.071 -12.830  15.141
  771    H5'  HC4 169           H5'      HC4 169   7.249 -10.442  12.122
  772    H6'  HC4 169           H6'      HC4 169   5.238 -10.229  13.508
  773   'HO4  HC4 169          'HO4      HC4 169   9.663 -10.903  12.434
  Start of MODEL   17
    1    H    LEU  26           H        LEU  26  15.885  -3.204 -10.122
    2    HA   LEU  26           HA       LEU  26  14.807  -5.182  -9.319
    3   1HB   LEU  26          1HB       LEU  26  13.945  -2.620  -7.979
    4   2HB   LEU  26          2HB       LEU  26  13.691  -4.197  -7.264
    5    HG   LEU  26           HG       LEU  26  16.226  -4.505  -7.431
    6   1HD1  LEU  26          1HD1      LEU  26  16.688  -2.679  -8.973
    7   2HD1  LEU  26          2HD1      LEU  26  17.554  -2.461  -7.452
    8   3HD1  LEU  26          3HD1      LEU  26  16.103  -1.515  -7.785
    9   1HD2  LEU  26          1HD2      LEU  26  15.047  -4.149  -5.336
   10   2HD2  LEU  26          2HD2      LEU  26  15.087  -2.405  -5.590
   11   3HD2  LEU  26          3HD2      LEU  26  16.588  -3.294  -5.335
   12    H    ALA  27           H        ALA  27  12.578  -5.628  -8.040
   13    HA   ALA  27           HA       ALA  27  10.448  -5.232 -10.041
   14   1HB   ALA  27          1HB       ALA  27   9.494  -7.338  -9.280
   15   2HB   ALA  27          2HB       ALA  27  10.767  -7.495  -8.068
   16   3HB   ALA  27          3HB       ALA  27  11.169  -7.571  -9.783
   17    H    PHE  28           H        PHE  28   8.246  -5.887  -8.697
   18    HA   PHE  28           HA       PHE  28   6.693  -5.350  -7.135
   19   1HB   PHE  28          1HB       PHE  28   9.049  -4.449  -5.461
   20   2HB   PHE  28          2HB       PHE  28   7.389  -4.551  -4.889
   21    HD1  PHE  28           HD1      PHE  28  10.418  -6.380  -5.645
   22    HD2  PHE  28           HD2      PHE  28   6.296  -6.756  -4.659
   23    HE1  PHE  28           HE1      PHE  28  10.780  -8.733  -5.033
   24    HE2  PHE  28           HE2      PHE  28   6.652  -9.111  -4.042
   25    HZ   PHE  28           HZ       PHE  28   8.902 -10.092  -4.189
   26    H    GLY  29           H        GLY  29   5.456  -3.525  -6.455
   27   1HA   GLY  29          1HA       GLY  29   6.253  -0.914  -6.332
   28   2HA   GLY  29          2HA       GLY  29   5.998  -1.203  -8.041
   29    H    ALA  30           H        ALA  30   3.794  -2.110  -8.615
   30    HA   ALA  30           HA       ALA  30   1.993  -0.193  -7.343
   31   1HB   ALA  30          1HB       ALA  30   0.721  -0.268  -9.401
   32   2HB   ALA  30          2HB       ALA  30   1.721  -1.591 -10.000
   33   3HB   ALA  30          3HB       ALA  30   2.428   0.006  -9.755
   34    H    ILE  31           H        ILE  31   0.982  -1.186  -5.677
   35    HA   ILE  31           HA       ILE  31  -0.847  -3.330  -6.482
   36    HB   ILE  31           HB       ILE  31   0.637  -4.255  -5.232
   37   1HG1  ILE  31          1HG1      ILE  31  -1.831  -4.611  -4.758
   38   2HG1  ILE  31          2HG1      ILE  31  -0.626  -5.341  -3.724
   39   1HG2  ILE  31          1HG2      ILE  31   0.290  -2.060  -3.216
   40   2HG2  ILE  31          2HG2      ILE  31   1.721  -2.381  -4.196
   41   3HG2  ILE  31          3HG2      ILE  31   1.226  -3.531  -2.955
   42   1HD1  ILE  31          1HD1      ILE  31  -0.971  -3.547  -2.080
   43   2HD1  ILE  31          2HD1      ILE  31  -2.444  -4.462  -2.399
   44   3HD1  ILE  31          3HD1      ILE  31  -2.227  -2.863  -3.111
   45    H    GLN  32           H        GLN  32  -2.939  -3.149  -5.795
   46    HA   GLN  32           HA       GLN  32  -3.582  -0.485  -4.717
   47   1HB   GLN  32          1HB       GLN  32  -5.492  -0.343  -6.122
   48   2HB   GLN  32          2HB       GLN  32  -4.126  -0.789  -7.127
   49   1HG   GLN  32          1HG       GLN  32  -5.491  -2.318  -7.976
   50   2HG   GLN  32          2HG       GLN  32  -5.182  -3.223  -6.495
   51   1HE2  GLN  32          1HE2      GLN  32  -7.542  -3.163  -8.228
   52   2HE2  GLN  32          2HE2      GLN  32  -8.862  -2.739  -7.203
   53    H    LEU  33           H        LEU  33  -4.952  -0.280  -3.123
   54    HA   LEU  33           HA       LEU  33  -6.564  -2.584  -2.286
   55   1HB   LEU  33          1HB       LEU  33  -5.876  -2.193   0.076
   56   2HB   LEU  33          2HB       LEU  33  -4.613  -2.830  -0.954
   57    HG   LEU  33           HG       LEU  33  -3.885  -0.334  -1.172
   58   1HD1  LEU  33          1HD1      LEU  33  -4.325   0.992   0.813
   59   2HD1  LEU  33          2HD1      LEU  33  -5.390  -0.269   1.436
   60   3HD1  LEU  33          3HD1      LEU  33  -5.826   0.610  -0.031
   61   1HD2  LEU  33          1HD2      LEU  33  -2.584  -2.135  -0.136
   62   2HD2  LEU  33          2HD2      LEU  33  -3.448  -1.875   1.380
   63   3HD2  LEU  33          3HD2      LEU  33  -2.410  -0.607   0.726
   64    H    ASP  34           H        ASP  34  -8.313  -2.014  -0.858
   65    HA   ASP  34           HA       ASP  34  -9.283   0.640  -1.565
   66   1HB   ASP  34          1HB       ASP  34 -11.457  -0.048  -0.712
   67   2HB   ASP  34          2HB       ASP  34 -10.837  -1.226  -1.855
   68    H    GLY  35           H        GLY  35 -10.205   2.081  -0.053
   69   1HA   GLY  35          1HA       GLY  35  -8.506   2.402   2.257
   70   2HA   GLY  35          2HA       GLY  35  -9.755   3.513   1.714
   71    H    ASP  36           H        ASP  36 -10.743   0.301   1.957
   72    HA   ASP  36           HA       ASP  36 -12.289   0.929   4.363
   73   1HB   ASP  36          1HB       ASP  36 -13.498   0.292   2.277
   74   2HB   ASP  36          2HB       ASP  36 -12.684  -1.266   2.320
   75    H    GLY  37           H        GLY  37  -9.904  -1.212   3.014
   76   1HA   GLY  37          1HA       GLY  37  -8.295  -1.861   4.843
   77   2HA   GLY  37          2HA       GLY  37  -9.700  -2.528   5.654
   78    H    ASN  38           H        ASN  38  -9.287  -2.814   2.179
   79    HA   ASN  38           HA       ASN  38  -8.453  -5.620   2.543
   80   1HB   ASN  38          1HB       ASN  38 -10.563  -4.713   0.577
   81   2HB   ASN  38          2HB       ASN  38 -10.021  -6.361   0.856
   82   1HD2  ASN  38          1HD2      ASN  38 -11.912  -3.729   2.039
   83   2HD2  ASN  38          2HD2      ASN  38 -12.776  -4.620   3.249
   84    H    ILE  39           H        ILE  39  -7.023  -6.390   1.061
   85    HA   ILE  39           HA       ILE  39  -6.016  -4.558  -0.956
   86    HB   ILE  39           HB       ILE  39  -5.331  -7.241  -0.170
   87   1HG1  ILE  39          1HG1      ILE  39  -3.997  -4.573   0.217
   88   2HG1  ILE  39          2HG1      ILE  39  -4.865  -5.468   1.457
   89   1HG2  ILE  39          1HG2      ILE  39  -4.065  -5.377  -2.186
   90   2HG2  ILE  39          2HG2      ILE  39  -4.850  -6.915  -2.545
   91   3HG2  ILE  39          3HG2      ILE  39  -3.356  -6.884  -1.607
   92   1HD1  ILE  39          1HD1      ILE  39  -3.233  -7.265   1.299
   93   2HD1  ILE  39          2HD1      ILE  39  -2.466  -5.723   1.686
   94   3HD1  ILE  39          3HD1      ILE  39  -2.369  -6.371   0.048
   95    H    LEU  40           H        LEU  40  -6.435  -4.724  -3.117
   96    HA   LEU  40           HA       LEU  40  -8.539  -6.675  -3.784
   97   1HB   LEU  40          1HB       LEU  40  -8.001  -3.996  -5.062
   98   2HB   LEU  40          2HB       LEU  40  -9.348  -5.063  -5.411
   99    HG   LEU  40           HG       LEU  40  -8.853  -3.627  -2.805
  100   1HD1  LEU  40          1HD1      LEU  40 -10.885  -2.386  -3.400
  101   2HD1  LEU  40          2HD1      LEU  40 -10.937  -3.231  -4.947
  102   3HD1  LEU  40          3HD1      LEU  40  -9.597  -2.145  -4.582
  103   1HD2  LEU  40          1HD2      LEU  40  -9.891  -5.806  -2.442
  104   2HD2  LEU  40          2HD2      LEU  40 -11.129  -5.425  -3.639
  105   3HD2  LEU  40          3HD2      LEU  40 -11.040  -4.503  -2.139
  106    H    GLN  41           H        GLN  41  -5.763  -4.968  -5.238
  107    HA   GLN  41           HA       GLN  41  -5.342  -7.313  -6.943
  108   1HB   GLN  41          1HB       GLN  41  -6.719  -5.728  -8.254
  109   2HB   GLN  41          2HB       GLN  41  -5.472  -4.503  -8.054
  110   1HG   GLN  41          1HG       GLN  41  -3.887  -5.976  -9.244
  111   2HG   GLN  41          2HG       GLN  41  -5.193  -7.129  -9.502
  112   1HE2  GLN  41          1HE2      GLN  41  -5.648  -3.671  -9.618
  113   2HE2  GLN  41          2HE2      GLN  41  -5.941  -3.568 -11.319
  114    H    TYR  42           H        TYR  42  -3.293  -7.869  -7.079
  115    HA   TYR  42           HA       TYR  42  -1.246  -5.929  -6.237
  116   1HB   TYR  42          1HB       TYR  42  -1.337  -7.638  -4.607
  117   2HB   TYR  42          2HB       TYR  42  -1.536  -8.896  -5.816
  118    HD1  TYR  42           HD1      TYR  42   0.218 -10.317  -5.995
  119    HD2  TYR  42           HD2      TYR  42   1.020  -6.242  -5.063
  120    HE1  TYR  42           HE1      TYR  42   2.617 -10.824  -5.900
  121    HE2  TYR  42           HE2      TYR  42   3.432  -6.742  -4.969
  122    HH   TYR  42           HH       TYR  42   4.745  -9.673  -6.119
  123    H    ASN  43           H        ASN  43   0.262  -5.388  -7.714
  124    HA   ASN  43           HA       ASN  43   0.611  -7.150 -10.055
  125   1HB   ASN  43          1HB       ASN  43   0.743  -4.144 -10.243
  126   2HB   ASN  43          2HB       ASN  43   0.649  -5.313 -11.554
  127   1HD2  ASN  43          1HD2      ASN  43  -1.074  -3.493  -9.204
  128   2HD2  ASN  43          2HD2      ASN  43  -2.667  -3.862  -9.772
  129    H    ALA  44           H        ALA  44   2.587  -7.982  -9.575
  130    HA   ALA  44           HA       ALA  44   4.816  -6.144  -9.848
  131   1HB   ALA  44          1HB       ALA  44   4.650  -7.964  -7.449
  132   2HB   ALA  44          2HB       ALA  44   4.459  -6.211  -7.419
  133   3HB   ALA  44          3HB       ALA  44   6.005  -6.920  -7.883
  134    H    ALA  45           H        ALA  45   6.881  -7.310 -10.124
  135    HA   ALA  45           HA       ALA  45   6.540  -9.555 -11.854
  136   1HB   ALA  45          1HB       ALA  45   9.076  -8.329 -10.783
  137   2HB   ALA  45          2HB       ALA  45   8.253  -7.864 -12.272
  138   3HB   ALA  45          3HB       ALA  45   8.957  -9.474 -12.120
  139    H    GLU  46           H        GLU  46   5.894 -11.378 -10.887
  140    HA   GLU  46           HA       GLU  46   7.585 -12.412  -8.719
  141   1HB   GLU  46          1HB       GLU  46   5.622 -13.978  -8.276
  142   2HB   GLU  46          2HB       GLU  46   5.393 -12.289  -7.851
  143   1HG   GLU  46          1HG       GLU  46   4.173 -11.972  -9.985
  144   2HG   GLU  46          2HG       GLU  46   4.322 -13.703 -10.283
  145    H    GLY  47           H        GLY  47   9.164 -13.153 -10.126
  146   1HA   GLY  47          1HA       GLY  47   8.356 -15.157 -12.120
  147   2HA   GLY  47          2HA       GLY  47   9.909 -14.338 -12.056
  148    H    ASP  48           H        ASP  48  10.073 -14.819  -9.115
  149    HA   ASP  48           HA       ASP  48  10.968 -17.594  -9.290
  150   1HB   ASP  48          1HB       ASP  48  12.269 -17.166  -7.278
  151   2HB   ASP  48          2HB       ASP  48  12.614 -15.947  -8.494
  152    H    ILE  49           H        ILE  49   9.654 -19.098  -8.651
  153    HA   ILE  49           HA       ILE  49   7.601 -18.425  -6.642
  154    HB   ILE  49           HB       ILE  49   6.340 -20.121  -7.697
  155   1HG1  ILE  49          1HG1      ILE  49   8.340 -19.651  -9.909
  156   2HG1  ILE  49          2HG1      ILE  49   8.111 -21.159  -9.031
  157   1HG2  ILE  49          1HG2      ILE  49   5.543 -18.508  -9.367
  158   2HG2  ILE  49          2HG2      ILE  49   7.011 -17.559  -9.139
  159   3HG2  ILE  49          3HG2      ILE  49   5.865 -17.744  -7.811
  160   1HD1  ILE  49          1HD1      ILE  49   5.867 -21.360  -9.931
  161   2HD1  ILE  49          2HD1      ILE  49   7.050 -21.204 -11.229
  162   3HD1  ILE  49          3HD1      ILE  49   6.052 -19.823 -10.773
  163    H    THR  50           H        THR  50   9.929 -20.752  -7.761
  164    HA   THR  50           HA       THR  50   9.115 -23.030  -6.364
  165    HB   THR  50           HB       THR  50  11.822 -22.202  -6.764
  166    HG1  THR  50           HG1      THR  50  11.486 -22.860  -8.915
  167   1HG2  THR  50          1HG2      THR  50  10.357 -24.831  -6.885
  168   2HG2  THR  50          2HG2      THR  50  11.443 -24.309  -5.597
  169   3HG2  THR  50          3HG2      THR  50  12.072 -24.587  -7.222
  170    H    GLY  51           H        GLY  51   8.511 -22.662  -4.264
  171   1HA   GLY  51          1HA       GLY  51   9.095 -22.871  -1.991
  172   2HA   GLY  51          2HA       GLY  51  10.703 -22.263  -2.362
  173    H    ARG  52           H        ARG  52   8.437 -20.359  -3.872
  174    HA   ARG  52           HA       ARG  52   8.665 -18.338  -1.733
  175   1HB   ARG  52          1HB       ARG  52   8.277 -17.942  -4.707
  176   2HB   ARG  52          2HB       ARG  52   8.424 -16.663  -3.512
  177   1HG   ARG  52          1HG       ARG  52  10.561 -18.679  -4.152
  178   2HG   ARG  52          2HG       ARG  52  10.484 -17.039  -4.799
  179   1HD   ARG  52          1HD       ARG  52  10.506 -16.225  -2.410
  180   2HD   ARG  52          2HD       ARG  52  10.877 -17.884  -1.933
  181    HE   ARG  52           HE       ARG  52  12.599 -16.498  -3.866
  182   1HH1  ARG  52          1HH1      ARG  52  12.148 -17.941  -0.706
  183   2HH1  ARG  52          2HH1      ARG  52  13.851 -17.995  -0.348
  184   1HH2  ARG  52          1HH2      ARG  52  14.825 -16.540  -3.395
  185   2HH2  ARG  52          2HH2      ARG  52  15.376 -17.165  -1.869
  186    H    ASP  53           H        ASP  53   6.874 -16.920  -1.401
  187    HA   ASP  53           HA       ASP  53   4.327 -17.823  -2.559
  188   1HB   ASP  53          1HB       ASP  53   4.994 -17.316   0.311
  189   2HB   ASP  53          2HB       ASP  53   3.379 -16.916  -0.266
  190    HA   PRO  54           HA       PRO  54   4.805 -13.505  -3.856
  191   1HB   PRO  54          1HB       PRO  54   2.444 -14.278  -5.468
  192   2HB   PRO  54          2HB       PRO  54   3.973 -13.556  -5.984
  193   1HG   PRO  54          1HG       PRO  54   3.425 -16.115  -6.499
  194   2HG   PRO  54          2HG       PRO  54   5.064 -15.600  -6.058
  195   1HD   PRO  54          1HD       PRO  54   2.980 -16.938  -4.374
  196   2HD   PRO  54          2HD       PRO  54   4.730 -17.236  -4.448
  197    H    LYS  55           H        LYS  55   2.025 -15.185  -2.589
  198    HA   LYS  55           HA       LYS  55   0.452 -12.804  -2.256
  199   1HB   LYS  55          1HB       LYS  55  -1.056 -14.275  -0.909
  200   2HB   LYS  55          2HB       LYS  55  -0.761 -14.845  -2.543
  201   1HG   LYS  55          1HG       LYS  55   0.976 -16.388  -1.581
  202   2HG   LYS  55          2HG       LYS  55   0.389 -15.921   0.016
  203   1HD   LYS  55          1HD       LYS  55  -1.291 -17.139  -2.173
  204   2HD   LYS  55          2HD       LYS  55  -0.622 -18.018  -0.798
  205   1HE   LYS  55          1HE       LYS  55  -1.925 -16.682   0.736
  206   2HE   LYS  55          2HE       LYS  55  -2.519 -15.685  -0.591
  207   1HZ   LYS  55          1HZ       LYS  55  -3.023 -18.603  -0.325
  208   2HZ   LYS  55          2HZ       LYS  55  -3.680 -17.562  -1.491
  209   3HZ   LYS  55          3HZ       LYS  55  -4.117 -17.392   0.140
  210    H    GLN  56           H        GLN  56   2.267 -11.675  -1.253
  211    HA   GLN  56           HA       GLN  56   2.384 -12.149   1.650
  212   1HB   GLN  56          1HB       GLN  56   4.484 -10.726   1.550
  213   2HB   GLN  56          2HB       GLN  56   4.592 -12.307   0.793
  214   1HG   GLN  56          1HG       GLN  56   4.225 -11.231  -1.402
  215   2HG   GLN  56          2HG       GLN  56   4.250  -9.661  -0.600
  216   1HE2  GLN  56          1HE2      GLN  56   6.011 -10.787  -2.653
  217   2HE2  GLN  56          2HE2      GLN  56   7.611 -10.720  -2.000
  218    H    VAL  57           H        VAL  57   2.272  -9.561  -0.783
  219    HA   VAL  57           HA       VAL  57   1.138  -7.793   1.259
  220    HB   VAL  57           HB       VAL  57   1.349  -6.130  -0.392
  221   1HG1  VAL  57          1HG1      VAL  57   2.841  -6.406   1.513
  222   2HG1  VAL  57          2HG1      VAL  57   3.745  -5.909   0.082
  223   3HG1  VAL  57          3HG1      VAL  57   3.789  -7.590   0.613
  224   1HG2  VAL  57          1HG2      VAL  57   2.776  -6.438  -2.236
  225   2HG2  VAL  57          2HG2      VAL  57   1.574  -7.725  -2.328
  226   3HG2  VAL  57          3HG2      VAL  57   3.199  -8.072  -1.736
  227    H    ILE  58           H        ILE  58  -0.531  -9.696   0.588
  228    HA   ILE  58           HA       ILE  58  -2.785  -8.317  -0.455
  229    HB   ILE  58           HB       ILE  58  -1.723  -8.899  -2.379
  230   1HG1  ILE  58          1HG1      ILE  58  -4.231 -10.486  -1.849
  231   2HG1  ILE  58          2HG1      ILE  58  -4.159  -8.782  -2.287
  232   1HG2  ILE  58          1HG2      ILE  58  -0.487 -10.855  -1.679
  233   2HG2  ILE  58          2HG2      ILE  58  -1.549 -11.275  -3.023
  234   3HG2  ILE  58          3HG2      ILE  58  -1.989 -11.729  -1.378
  235   1HD1  ILE  58          1HD1      ILE  58  -4.745 -10.159  -4.196
  236   2HD1  ILE  58          2HD1      ILE  58  -3.259 -11.088  -4.002
  237   3HD1  ILE  58          3HD1      ILE  58  -3.181  -9.382  -4.444
  238    H    GLY  59           H        GLY  59  -4.739  -9.569  -0.174
  239   1HA   GLY  59          1HA       GLY  59  -5.879 -11.499   0.672
  240   2HA   GLY  59          2HA       GLY  59  -4.403 -11.949   1.518
  241    H    LYS  60           H        LYS  60  -5.088  -8.652   1.715
  242    HA   LYS  60           HA       LYS  60  -5.678  -8.838   4.518
  243   1HB   LYS  60          1HB       LYS  60  -4.263  -7.036   3.797
  244   2HB   LYS  60          2HB       LYS  60  -5.443  -6.512   2.602
  245   1HG   LYS  60          1HG       LYS  60  -5.426  -5.002   4.486
  246   2HG   LYS  60          2HG       LYS  60  -6.966  -5.857   4.418
  247   1HD   LYS  60          1HD       LYS  60  -6.281  -5.795   6.699
  248   2HD   LYS  60          2HD       LYS  60  -6.051  -7.447   6.125
  249   1HE   LYS  60          1HE       LYS  60  -3.666  -6.996   5.796
  250   2HE   LYS  60          2HE       LYS  60  -3.899  -5.348   6.381
  251   1HZ   LYS  60          1HZ       LYS  60  -4.605  -6.243   8.517
  252   2HZ   LYS  60          2HZ       LYS  60  -3.047  -6.796   8.122
  253   3HZ   LYS  60          3HZ       LYS  60  -4.381  -7.828   7.947
  254    H    ASN  61           H        ASN  61  -7.630  -9.132   5.303
  255    HA   ASN  61           HA       ASN  61  -9.944  -8.058   3.852
  256   1HB   ASN  61          1HB       ASN  61  -9.920 -10.418   3.371
  257   2HB   ASN  61          2HB       ASN  61  -9.658 -10.812   5.065
  258   1HD2  ASN  61          1HD2      ASN  61 -11.458 -12.076   5.237
  259   2HD2  ASN  61          2HD2      ASN  61 -13.068 -11.450   5.189
  260    H    PHE  62           H        PHE  62 -10.346  -6.380   5.183
  261    HA   PHE  62           HA       PHE  62 -11.058  -7.037   7.954
  262   1HB   PHE  62          1HB       PHE  62  -8.867  -5.916   7.981
  263   2HB   PHE  62          2HB       PHE  62  -9.534  -4.574   7.057
  264    HD1  PHE  62           HD1      PHE  62 -10.667  -2.812   8.118
  265    HD2  PHE  62           HD2      PHE  62  -9.704  -6.337  10.301
  266    HE1  PHE  62           HE1      PHE  62 -11.306  -1.686  10.209
  267    HE2  PHE  62           HE2      PHE  62 -10.334  -5.216  12.399
  268    HZ   PHE  62           HZ       PHE  62 -11.111  -2.879  12.358
  269    H    PHE  63           H        PHE  63 -13.164  -6.707   8.139
  270    HA   PHE  63           HA       PHE  63 -14.451  -4.670   6.487
  271   1HB   PHE  63          1HB       PHE  63 -15.332  -7.041   6.602
  272   2HB   PHE  63          2HB       PHE  63 -15.775  -6.717   8.273
  273    HD1  PHE  63           HD1      PHE  63 -17.650  -5.335   8.819
  274    HD2  PHE  63           HD2      PHE  63 -16.503  -5.935   4.768
  275    HE1  PHE  63           HE1      PHE  63 -19.796  -4.392   8.078
  276    HE2  PHE  63           HE2      PHE  63 -18.647  -4.993   4.020
  277    HZ   PHE  63           HZ       PHE  63 -20.300  -4.246   5.654
  278    H    LYS  64           H        LYS  64 -14.626  -5.825   9.833
  279    HA   LYS  64           HA       LYS  64 -14.382  -3.144  10.864
  280   1HB   LYS  64          1HB       LYS  64 -16.463  -3.335  12.237
  281   2HB   LYS  64          2HB       LYS  64 -16.773  -3.170  10.515
  282   1HG   LYS  64          1HG       LYS  64 -17.232  -5.525  10.324
  283   2HG   LYS  64          2HG       LYS  64 -16.787  -5.781  12.012
  284   1HD   LYS  64          1HD       LYS  64 -18.652  -4.392  12.729
  285   2HD   LYS  64          2HD       LYS  64 -19.076  -4.071  11.045
  286   1HE   LYS  64          1HE       LYS  64 -20.477  -5.823  12.107
  287   2HE   LYS  64          2HE       LYS  64 -19.607  -6.380  10.679
  288   1HZ   LYS  64          1HZ       LYS  64 -18.082  -7.559  11.988
  289   2HZ   LYS  64          2HZ       LYS  64 -19.591  -7.904  12.674
  290   3HZ   LYS  64          3HZ       LYS  64 -18.556  -6.784  13.421
  291    H    ASP  65           H        ASP  65 -14.358  -3.249  13.333
  292    HA   ASP  65           HA       ASP  65 -13.234  -5.855  14.155
  293   1HB   ASP  65          1HB       ASP  65 -11.553  -4.797  15.408
  294   2HB   ASP  65          2HB       ASP  65 -11.608  -3.874  13.909
  295    H    VAL  66           H        VAL  66 -13.126  -5.966  16.642
  296    HA   VAL  66           HA       VAL  66 -15.270  -4.568  17.989
  297    HB   VAL  66           HB       VAL  66 -16.183  -6.416  16.964
  298   1HG1  VAL  66          1HG1      VAL  66 -15.724  -8.647  17.841
  299   2HG1  VAL  66          2HG1      VAL  66 -14.383  -7.997  18.783
  300   3HG1  VAL  66          3HG1      VAL  66 -14.322  -7.962  17.021
  301   1HG2  VAL  66          1HG2      VAL  66 -17.358  -7.203  18.955
  302   2HG2  VAL  66          2HG2      VAL  66 -17.197  -5.447  18.904
  303   3HG2  VAL  66          3HG2      VAL  66 -16.155  -6.398  19.964
  304    H    ALA  67           H        ALA  67 -12.528  -4.333  18.221
  305    HA   ALA  67           HA       ALA  67 -12.067  -5.272  20.954
  306   1HB   ALA  67          1HB       ALA  67 -11.063  -6.981  19.503
  307   2HB   ALA  67          2HB       ALA  67  -9.846  -6.117  20.441
  308   3HB   ALA  67          3HB       ALA  67 -10.076  -5.737  18.735
  309    HA   PRO  68           HA       PRO  68 -10.337  -1.189  21.240
  310   1HB   PRO  68          1HB       PRO  68  -9.304  -1.321  23.705
  311   2HB   PRO  68          2HB       PRO  68 -11.051  -1.372  23.435
  312   1HG   PRO  68          1HG       PRO  68  -9.153  -3.611  24.003
  313   2HG   PRO  68          2HG       PRO  68 -10.785  -3.341  24.638
  314   1HD   PRO  68          1HD       PRO  68 -10.176  -5.048  22.563
  315   2HD   PRO  68          2HD       PRO  68 -11.771  -4.319  22.829
  316    H    CYS  69           H        CYS  69  -8.662  -3.479  20.092
  317    HA   CYS  69           HA       CYS  69  -6.133  -2.067  20.199
  318   1HB   CYS  69          1HB       CYS  69  -5.956  -3.688  22.064
  319   2HB   CYS  69          2HB       CYS  69  -6.314  -5.000  20.945
  320    H    THR  70           H        THR  70  -6.888  -1.672  18.007
  321    HA   THR  70           HA       THR  70  -6.424  -4.001  16.261
  322    HB   THR  70           HB       THR  70  -7.785  -2.800  14.718
  323    HG1  THR  70           HG1      THR  70  -9.030  -1.199  15.476
  324   1HG2  THR  70          1HG2      THR  70  -8.952  -3.966  17.234
  325   2HG2  THR  70          2HG2      THR  70  -8.420  -4.867  15.813
  326   3HG2  THR  70          3HG2      THR  70  -9.795  -3.769  15.696
  327    H    ASP  71           H        ASP  71  -6.375  -0.457  16.415
  328    HA   ASP  71           HA       ASP  71  -4.766  -0.274  14.028
  329   1HB   ASP  71          1HB       ASP  71  -6.020   1.700  15.878
  330   2HB   ASP  71          2HB       ASP  71  -4.686   2.229  14.862
  331    H    SER  72           H        SER  72  -2.688  -0.740  14.107
  332    HA   SER  72           HA       SER  72  -1.099   0.538  16.218
  333   1HB   SER  72          1HB       SER  72   0.820  -0.729  15.146
  334   2HB   SER  72          2HB       SER  72  -0.419  -1.746  15.876
  335    HG   SER  72           HG       SER  72  -0.753  -1.100  13.190
  336    HA   PRO  73           HA       PRO  73  -1.551   3.992  13.453
  337   1HB   PRO  73          1HB       PRO  73   0.733   5.277  14.589
  338   2HB   PRO  73          2HB       PRO  73  -0.972   5.597  14.906
  339   1HG   PRO  73          1HG       PRO  73   0.953   3.960  16.444
  340   2HG   PRO  73          2HG       PRO  73  -0.502   4.805  16.997
  341   1HD   PRO  73          1HD       PRO  73  -0.422   2.134  16.777
  342   2HD   PRO  73          2HD       PRO  73  -1.894   3.056  16.406
  343    H    GLU  74           H        GLU  74  -1.011   3.321  11.438
  344    HA   GLU  74           HA       GLU  74   1.625   4.101  10.566
  345   1HB   GLU  74          1HB       GLU  74   2.051   2.007   9.315
  346   2HB   GLU  74          2HB       GLU  74   2.073   1.782  11.055
  347   1HG   GLU  74          1HG       GLU  74  -0.165   0.820  10.971
  348   2HG   GLU  74          2HG       GLU  74  -0.213   1.080   9.228
  349    H    PHE  75           H        PHE  75   0.817   5.670   9.301
  350    HA   PHE  75           HA       PHE  75  -0.948   4.807   7.120
  351   1HB   PHE  75          1HB       PHE  75  -1.391   7.241   6.751
  352   2HB   PHE  75          2HB       PHE  75  -1.942   6.651   8.311
  353    HD1  PHE  75           HD1      PHE  75  -0.536   7.160  10.352
  354    HD2  PHE  75           HD2      PHE  75   0.099   9.043   6.586
  355    HE1  PHE  75           HE1      PHE  75   0.700   8.968  11.468
  356    HE2  PHE  75           HE2      PHE  75   1.341  10.851   7.699
  357    HZ   PHE  75           HZ       PHE  75   1.642  10.814  10.141
  358    H    TYR  76           H        TYR  76  -0.029   4.486   5.227
  359    HA   TYR  76           HA       TYR  76   2.772   4.782   4.959
  360   1HB   TYR  76          1HB       TYR  76   0.752   4.054   2.830
  361   2HB   TYR  76          2HB       TYR  76   2.488   3.753   2.771
  362    HD1  TYR  76           HD1      TYR  76   3.429   2.370   4.819
  363    HD2  TYR  76           HD2      TYR  76  -0.632   2.343   3.551
  364    HE1  TYR  76           HE1      TYR  76   3.097   0.216   5.957
  365    HE2  TYR  76           HE2      TYR  76  -0.977   0.190   4.688
  366    HH   TYR  76           HH       TYR  76   1.086  -1.031   6.975
  367    H    GLY  77           H        GLY  77   0.351   6.021   2.618
  368   1HA   GLY  77          1HA       GLY  77   2.076   8.410   2.376
  369   2HA   GLY  77          2HA       GLY  77   1.173   7.712   1.036
  370    H    LYS  78           H        LYS  78   0.737   9.137   4.252
  371    HA   LYS  78           HA       LYS  78  -0.837  10.569   5.094
  372   1HB   LYS  78          1HB       LYS  78  -0.426  11.728   2.862
  373   2HB   LYS  78          2HB       LYS  78  -1.835  10.878   2.254
  374   1HG   LYS  78          1HG       LYS  78  -2.630  12.986   2.806
  375   2HG   LYS  78          2HG       LYS  78  -3.101  11.984   4.180
  376   1HD   LYS  78          1HD       LYS  78  -1.351  12.839   5.524
  377   2HD   LYS  78          2HD       LYS  78  -0.562  13.594   4.137
  378   1HE   LYS  78          1HE       LYS  78  -2.583  15.041   3.885
  379   2HE   LYS  78          2HE       LYS  78  -3.178  14.377   5.406
  380   1HZ   LYS  78          1HZ       LYS  78  -1.297  15.278   6.549
  381   2HZ   LYS  78          2HZ       LYS  78  -2.018  16.521   5.648
  382   3HZ   LYS  78          3HZ       LYS  78  -0.589  15.795   5.096
  383    H    PHE  79           H        PHE  79  -1.305   7.636   4.263
  384    HA   PHE  79           HA       PHE  79  -3.676   7.137   3.046
  385   1HB   PHE  79          1HB       PHE  79  -1.928   5.457   3.687
  386   2HB   PHE  79          2HB       PHE  79  -2.631   5.435   5.303
  387    HD1  PHE  79           HD1      PHE  79  -4.605   4.183   5.760
  388    HD2  PHE  79           HD2      PHE  79  -3.298   4.745   1.752
  389    HE1  PHE  79           HE1      PHE  79  -6.256   2.525   4.989
  390    HE2  PHE  79           HE2      PHE  79  -4.942   3.097   0.976
  391    HZ   PHE  79           HZ       PHE  79  -6.424   1.988   2.585
  392    H    LYS  80           H        LYS  80  -3.299   7.848   6.504
  393    HA   LYS  80           HA       LYS  80  -5.830   6.830   7.274
  394   1HB   LYS  80          1HB       LYS  80  -3.889   7.282   8.821
  395   2HB   LYS  80          2HB       LYS  80  -4.276   8.993   8.695
  396   1HG   LYS  80          1HG       LYS  80  -5.274   8.299  10.691
  397   2HG   LYS  80          2HG       LYS  80  -6.601   8.361   9.533
  398   1HD   LYS  80          1HD       LYS  80  -5.100   5.822  10.131
  399   2HD   LYS  80          2HD       LYS  80  -6.499   6.335  11.071
  400   1HE   LYS  80          1HE       LYS  80  -6.527   5.934   8.080
  401   2HE   LYS  80          2HE       LYS  80  -7.004   4.699   9.243
  402   1HZ   LYS  80          1HZ       LYS  80  -8.890   5.961   8.320
  403   2HZ   LYS  80          2HZ       LYS  80  -8.278   7.375   9.028
  404   3HZ   LYS  80          3HZ       LYS  80  -8.781   6.088  10.007
  405    H    GLU  81           H        GLU  81  -4.707  10.010   6.304
  406    HA   GLU  81           HA       GLU  81  -7.378  11.140   6.500
  407   1HB   GLU  81          1HB       GLU  81  -5.343  12.461   7.093
  408   2HB   GLU  81          2HB       GLU  81  -4.825  12.354   5.417
  409   1HG   GLU  81          1HG       GLU  81  -6.891  13.542   4.753
  410   2HG   GLU  81          2HG       GLU  81  -7.285  13.735   6.460
  411    H    GLY  82           H        GLY  82  -5.232   9.748   4.185
  412   1HA   GLY  82          1HA       GLY  82  -6.066  10.808   1.806
  413   2HA   GLY  82          2HA       GLY  82  -5.421   9.204   2.017
  414    H    VAL  83           H        VAL  83  -7.336   8.169   3.684
  415    HA   VAL  83           HA       VAL  83  -9.235   7.234   1.807
  416    HB   VAL  83           HB       VAL  83  -9.210   7.171   4.679
  417   1HG1  VAL  83          1HG1      VAL  83 -10.780   5.606   2.624
  418   2HG1  VAL  83          2HG1      VAL  83 -11.440   6.725   3.817
  419   3HG1  VAL  83          3HG1      VAL  83 -10.692   5.217   4.342
  420   1HG2  VAL  83          1HG2      VAL  83  -8.287   4.931   4.303
  421   2HG2  VAL  83          2HG2      VAL  83  -7.221   6.211   3.723
  422   3HG2  VAL  83          3HG2      VAL  83  -8.186   5.282   2.576
  423    H    ALA  84           H        ALA  84  -9.571   9.404   4.614
  424    HA   ALA  84           HA       ALA  84 -12.402   9.665   4.102
  425   1HB   ALA  84          1HB       ALA  84 -11.609   9.441   6.402
  426   2HB   ALA  84          2HB       ALA  84 -12.468  10.964   6.166
  427   3HB   ALA  84          3HB       ALA  84 -10.705  10.946   6.238
  428    H    SER  85           H        SER  85  -9.512  11.472   3.536
  429    HA   SER  85           HA       SER  85 -10.819  13.925   2.874
  430   1HB   SER  85          1HB       SER  85  -8.346  13.687   3.336
  431   2HB   SER  85          2HB       SER  85  -8.187  12.898   1.768
  432    HG   SER  85           HG       SER  85  -8.295  14.770   0.821
  433    H    GLY  86           H        GLY  86 -10.394  10.885   1.321
  434   1HA   GLY  86          1HA       GLY  86 -11.501  10.003  -0.483
  435   2HA   GLY  86          2HA       GLY  86 -12.403  11.507  -0.597
  436    H    ASN  87           H        ASN  87  -8.938  11.472  -0.651
  437    HA   ASN  87           HA       ASN  87  -8.750  11.482  -3.505
  438   1HB   ASN  87          1HB       ASN  87  -7.813  13.805  -3.667
  439   2HB   ASN  87          2HB       ASN  87  -9.535  13.735  -3.326
  440   1HD2  ASN  87          1HD2      ASN  87  -9.443  15.853  -2.531
  441   2HD2  ASN  87          2HD2      ASN  87  -8.795  16.212  -0.965
  442    H    LEU  88           H        LEU  88  -7.585   9.867  -1.756
  443    HA   LEU  88           HA       LEU  88  -5.020  10.595  -0.871
  444   1HB   LEU  88          1HB       LEU  88  -6.618   8.505  -0.443
  445   2HB   LEU  88          2HB       LEU  88  -5.560   7.793  -1.650
  446    HG   LEU  88           HG       LEU  88  -4.660   9.102   0.860
  447   1HD1  LEU  88          1HD1      LEU  88  -4.208   6.807   1.670
  448   2HD1  LEU  88          2HD1      LEU  88  -4.984   6.173   0.219
  449   3HD1  LEU  88          3HD1      LEU  88  -5.924   7.103   1.385
  450   1HD2  LEU  88          1HD2      LEU  88  -2.504   8.011   0.395
  451   2HD2  LEU  88          2HD2      LEU  88  -2.960   9.157  -0.865
  452   3HD2  LEU  88          3HD2      LEU  88  -3.153   7.423  -1.135
  453    H    ASN  89           H        ASN  89  -4.053  11.666  -2.708
  454    HA   ASN  89           HA       ASN  89  -2.702   9.707  -4.388
  455   1HB   ASN  89          1HB       ASN  89  -4.521  10.371  -5.808
  456   2HB   ASN  89          2HB       ASN  89  -4.251  12.066  -5.455
  457   1HD2  ASN  89          1HD2      ASN  89  -1.707   9.730  -6.131
  458   2HD2  ASN  89          2HD2      ASN  89  -1.219  10.435  -7.640
  459    H    THR  90           H        THR  90  -0.713  10.024  -3.519
  460    HA   THR  90           HA       THR  90   0.530  12.612  -4.036
  461    HB   THR  90           HB       THR  90   0.674  11.203  -1.525
  462    HG1  THR  90           HG1      THR  90  -1.090  13.017  -2.525
  463   1HG2  THR  90          1HG2      THR  90   2.741  12.354  -2.059
  464   2HG2  THR  90          2HG2      THR  90   1.860  13.221  -0.802
  465   3HG2  THR  90          3HG2      THR  90   1.842  13.818  -2.460
  466    H    MET  91           H        MET  91   2.703  12.437  -4.513
  467    HA   MET  91           HA       MET  91   3.900   9.768  -4.209
  468   1HB   MET  91          1HB       MET  91   5.519  10.488  -6.001
  469   2HB   MET  91          2HB       MET  91   3.872  10.219  -6.532
  470   1HG   MET  91          1HG       MET  91   4.993  12.939  -5.903
  471   2HG   MET  91          2HG       MET  91   5.036  12.217  -7.509
  472   1HE   MET  91          1HE       MET  91   3.781  14.401  -8.464
  473   2HE   MET  91          2HE       MET  91   3.768  15.065  -6.830
  474   3HE   MET  91          3HE       MET  91   2.280  15.021  -7.776
  475    H    PHE  92           H        PHE  92   5.271   9.637  -2.654
  476    HA   PHE  92           HA       PHE  92   6.981  11.939  -2.016
  477   1HB   PHE  92          1HB       PHE  92   5.001  11.732  -0.440
  478   2HB   PHE  92          2HB       PHE  92   5.649  10.174   0.054
  479    HD1  PHE  92           HD1      PHE  92   6.335  13.807  -0.004
  480    HD2  PHE  92           HD2      PHE  92   7.369  10.023   1.645
  481    HE1  PHE  92           HE1      PHE  92   7.740  14.926   1.675
  482    HE2  PHE  92           HE2      PHE  92   8.774  11.138   3.328
  483    HZ   PHE  92           HZ       PHE  92   8.927  13.608   3.360
  484    H    GLU  93           H        GLU  93   9.008  11.331  -1.075
  485    HA   GLU  93           HA       GLU  93   9.545   8.447  -1.034
  486   1HB   GLU  93          1HB       GLU  93  11.870   9.003  -1.889
  487   2HB   GLU  93          2HB       GLU  93  10.558   9.092  -3.053
  488   1HG   GLU  93          1HG       GLU  93  10.503  11.560  -2.676
  489   2HG   GLU  93          2HG       GLU  93  11.966  11.378  -1.705
  490    H    TYR  94           H        TYR  94  10.344   7.791   0.817
  491    HA   TYR  94           HA       TYR  94  11.542   9.794   2.603
  492   1HB   TYR  94          1HB       TYR  94   9.227   9.283   3.300
  493   2HB   TYR  94          2HB       TYR  94   9.644   7.576   3.409
  494    HD1  TYR  94           HD1      TYR  94  10.447   6.698   5.417
  495    HD2  TYR  94           HD2      TYR  94  10.565  10.909   4.799
  496    HE1  TYR  94           HE1      TYR  94  11.148   7.016   7.751
  497    HE2  TYR  94           HE2      TYR  94  11.266  11.236   7.134
  498    HH   TYR  94           HH       TYR  94  11.163  10.078   9.269
  499    H    THR  95           H        THR  95  13.501   9.278   3.228
  500    HA   THR  95           HA       THR  95  14.348   6.487   3.050
  501    HB   THR  95           HB       THR  95  15.622   8.037   2.009
  502    HG1  THR  95           HG1      THR  95  17.584   7.430   3.077
  503   1HG2  THR  95          1HG2      THR  95  15.174  10.013   3.330
  504   2HG2  THR  95          2HG2      THR  95  16.906   9.686   3.282
  505   3HG2  THR  95          3HG2      THR  95  15.975   9.287   4.724
  506    H    PHE  96           H        PHE  96  15.124   5.370   4.819
  507    HA   PHE  96           HA       PHE  96  15.149   6.732   7.385
  508   1HB   PHE  96          1HB       PHE  96  13.744   4.985   8.459
  509   2HB   PHE  96          2HB       PHE  96  12.867   5.977   7.306
  510    HD1  PHE  96           HD1      PHE  96  14.014   2.639   8.137
  511    HD2  PHE  96           HD2      PHE  96  12.159   5.036   5.148
  512    HE1  PHE  96           HE1      PHE  96  13.204   0.605   7.017
  513    HE2  PHE  96           HE2      PHE  96  11.350   3.006   4.021
  514    HZ   PHE  96           HZ       PHE  96  11.870   0.787   4.954
  515    H    ASP  97           H        ASP  97  16.966   6.292   8.302
  516    HA   ASP  97           HA       ASP  97  18.457   3.895   7.680
  517   1HB   ASP  97          1HB       ASP  97  19.593   6.073   8.037
  518   2HB   ASP  97          2HB       ASP  97  19.017   6.090   9.699
  519    H    TYR  98           H        TYR  98  17.357   2.126   8.509
  520    HA   TYR  98           HA       TYR  98  16.255   2.162  11.141
  521   1HB   TYR  98          1HB       TYR  98  15.979  -0.288  10.853
  522   2HB   TYR  98          2HB       TYR  98  15.303   0.644   9.525
  523    HD1  TYR  98           HD1      TYR  98  18.046  -1.604  10.531
  524    HD2  TYR  98           HD2      TYR  98  16.153   0.408   7.293
  525    HE1  TYR  98           HE1      TYR  98  19.304  -2.991   8.941
  526    HE2  TYR  98           HE2      TYR  98  17.413  -0.975   5.695
  527    HH   TYR  98           HH       TYR  98  19.153  -3.765   6.653
  528    H    GLN  99           H        GLN  99  19.299   1.231   9.746
  529    HA   GLN  99           HA       GLN  99  20.759   1.685  12.067
  530   1HB   GLN  99          1HB       GLN  99  19.635  -0.432  12.808
  531   2HB   GLN  99          2HB       GLN  99  20.445  -1.267  11.491
  532   1HG   GLN  99          1HG       GLN  99  22.614  -0.679  12.457
  533   2HG   GLN  99          2HG       GLN  99  21.794   0.146  13.781
  534   1HE2  GLN  99          1HE2      GLN  99  20.716  -2.857  12.326
  535   2HE2  GLN  99          2HE2      GLN  99  21.012  -3.849  13.719
  536    H    MET 100           H        MET 100  21.845   2.802  10.428
  537    HA   MET 100           HA       MET 100  23.776   3.126   9.268
  538   1HB   MET 100          1HB       MET 100  24.762   1.218  10.482
  539   2HB   MET 100          2HB       MET 100  24.105   0.118   9.280
  540   1HG   MET 100          1HG       MET 100  26.469   0.535   8.911
  541   2HG   MET 100          2HG       MET 100  25.497   1.137   7.569
  542   1HE   MET 100          1HE       MET 100  25.942   2.796  11.111
  543   2HE   MET 100          2HE       MET 100  27.315   3.864  10.824
  544   3HE   MET 100          3HE       MET 100  27.536   2.115  10.789
  545    H    THR 101           H        THR 101  21.195   1.217   8.232
  546    HA   THR 101           HA       THR 101  21.930   1.622   5.409
  547    HB   THR 101           HB       THR 101  19.855  -0.054   6.452
  548    HG1  THR 101           HG1      THR 101  21.373  -1.668   6.560
  549   1HG2  THR 101          1HG2      THR 101  20.219  -1.187   4.319
  550   2HG2  THR 101          2HG2      THR 101  21.445   0.010   3.895
  551   3HG2  THR 101          3HG2      THR 101  19.762   0.502   4.087
  552    HA   PRO 102           HA       PRO 102  18.423   4.532   5.901
  553   1HB   PRO 102          1HB       PRO 102  19.625   5.943   3.663
  554   2HB   PRO 102          2HB       PRO 102  19.373   6.505   5.317
  555   1HG   PRO 102          1HG       PRO 102  21.836   5.994   4.273
  556   2HG   PRO 102          2HG       PRO 102  21.455   5.840   5.997
  557   1HD   PRO 102          1HD       PRO 102  21.680   3.706   3.908
  558   2HD   PRO 102          2HD       PRO 102  22.235   3.697   5.596
  559    H    THR 103           H        THR 103  16.841   3.196   5.112
  560    HA   THR 103           HA       THR 103  16.898   2.245   2.390
  561    HB   THR 103           HB       THR 103  14.716   2.239   4.246
  562    HG1  THR 103           HG1      THR 103  17.153   1.328   4.648
  563   1HG2  THR 103          1HG2      THR 103  15.596   0.434   2.003
  564   2HG2  THR 103          2HG2      THR 103  14.222   1.539   1.966
  565   3HG2  THR 103          3HG2      THR 103  14.215   0.159   3.065
  566    H    LYS 104           H        LYS 104  16.667   3.901   0.966
  567    HA   LYS 104           HA       LYS 104  14.657   5.934   1.277
  568   1HB   LYS 104          1HB       LYS 104  16.793   6.402   0.149
  569   2HB   LYS 104          2HB       LYS 104  16.392   5.231  -1.100
  570   1HG   LYS 104          1HG       LYS 104  14.367   6.646  -1.607
  571   2HG   LYS 104          2HG       LYS 104  15.066   7.869  -0.541
  572   1HD   LYS 104          1HD       LYS 104  17.084   7.923  -1.935
  573   2HD   LYS 104          2HD       LYS 104  16.376   6.713  -3.005
  574   1HE   LYS 104          1HE       LYS 104  16.036   8.818  -4.041
  575   2HE   LYS 104          2HE       LYS 104  14.478   8.318  -3.385
  576   1HZ   LYS 104          1HZ       LYS 104  16.339  10.349  -2.292
  577   2HZ   LYS 104          2HZ       LYS 104  15.042   9.727  -1.396
  578   3HZ   LYS 104          3HZ       LYS 104  14.744  10.577  -2.837
  579    H    VAL 105           H        VAL 105  12.589   5.199   1.176
  580    HA   VAL 105           HA       VAL 105  11.898   3.448  -1.058
  581    HB   VAL 105           HB       VAL 105   9.920   3.056   0.005
  582   1HG1  VAL 105          1HG1      VAL 105  12.439   2.531   1.576
  583   2HG1  VAL 105          2HG1      VAL 105  11.820   1.565   0.236
  584   3HG1  VAL 105          3HG1      VAL 105  10.924   1.647   1.754
  585   1HG2  VAL 105          1HG2      VAL 105   9.661   5.068   1.314
  586   2HG2  VAL 105          2HG2      VAL 105  11.105   4.673   2.246
  587   3HG2  VAL 105          3HG2      VAL 105   9.673   3.651   2.365
  588    H    LYS 106           H        LYS 106   9.845   3.765  -2.087
  589    HA   LYS 106           HA       LYS 106   9.143   6.625  -2.314
  590   1HB   LYS 106          1HB       LYS 106   8.980   4.460  -4.431
  591   2HB   LYS 106          2HB       LYS 106   8.534   6.143  -4.651
  592   1HG   LYS 106          1HG       LYS 106  11.313   5.448  -3.823
  593   2HG   LYS 106          2HG       LYS 106  10.822   5.270  -5.506
  594   1HD   LYS 106          1HD       LYS 106  10.675   7.801  -3.868
  595   2HD   LYS 106          2HD       LYS 106  11.860   7.444  -5.126
  596   1HE   LYS 106          1HE       LYS 106   9.843   7.149  -6.680
  597   2HE   LYS 106          2HE       LYS 106   8.908   7.936  -5.412
  598   1HZ   LYS 106          1HZ       LYS 106  11.150   9.059  -6.987
  599   2HZ   LYS 106          2HZ       LYS 106  10.597   9.790  -5.562
  600   3HZ   LYS 106          3HZ       LYS 106   9.552   9.620  -6.891
  601    H    VAL 107           H        VAL 107   6.988   7.156  -2.226
  602    HA   VAL 107           HA       VAL 107   5.055   4.944  -2.276
  603    HB   VAL 107           HB       VAL 107   3.752   6.573  -0.902
  604   1HG1  VAL 107          1HG1      VAL 107   4.174   4.211  -0.458
  605   2HG1  VAL 107          2HG1      VAL 107   4.416   5.164   1.007
  606   3HG1  VAL 107          3HG1      VAL 107   5.808   4.588   0.089
  607   1HG2  VAL 107          1HG2      VAL 107   6.584   7.016   0.034
  608   2HG2  VAL 107          2HG2      VAL 107   5.112   7.534   0.856
  609   3HG2  VAL 107          3HG2      VAL 107   5.542   8.231  -0.706
  610    H    HIS 108           H        HIS 108   4.257   5.286  -4.257
  611    HA   HIS 108           HA       HIS 108   3.049   7.937  -4.680
  612   1HB   HIS 108          1HB       HIS 108   4.605   7.120  -6.479
  613   2HB   HIS 108          2HB       HIS 108   3.518   5.758  -6.734
  614    HD1  HIS 108           HD1      HIS 108   3.278   6.669  -9.217
  615    HD2  HIS 108           HD2      HIS 108   1.730   9.135  -6.241
  616    HE1  HIS 108           HE1      HIS 108   1.792   8.323 -10.401
  617    HE2  HIS 108           HE2      HIS 108   1.002   9.902  -8.602
  618    H    MET 109           H        MET 109   1.138   7.841  -3.740
  619    HA   MET 109           HA       MET 109  -0.492   5.426  -4.148
  620   1HB   MET 109          1HB       MET 109  -0.730   7.554  -2.008
  621   2HB   MET 109          2HB       MET 109  -1.769   6.143  -2.165
  622   1HG   MET 109          1HG       MET 109   0.343   4.755  -1.927
  623   2HG   MET 109          2HG       MET 109   1.132   6.245  -1.415
  624   1HE   MET 109          1HE       MET 109  -1.608   3.596  -0.654
  625   2HE   MET 109          2HE       MET 109  -2.575   5.069  -0.719
  626   3HE   MET 109          3HE       MET 109  -2.360   4.225   0.813
  627    H    LYS 110           H        LYS 110  -2.608   5.650  -4.898
  628    HA   LYS 110           HA       LYS 110  -3.461   8.336  -5.565
  629   1HB   LYS 110          1HB       LYS 110  -3.792   7.867  -7.938
  630   2HB   LYS 110          2HB       LYS 110  -2.095   7.760  -7.498
  631   1HG   LYS 110          1HG       LYS 110  -2.151   5.373  -7.572
  632   2HG   LYS 110          2HG       LYS 110  -3.904   5.373  -7.779
  633   1HD   LYS 110          1HD       LYS 110  -3.596   6.585  -9.927
  634   2HD   LYS 110          2HD       LYS 110  -1.851   6.414  -9.728
  635   1HE   LYS 110          1HE       LYS 110  -2.036   4.012  -9.795
  636   2HE   LYS 110          2HE       LYS 110  -3.797   4.114  -9.844
  637   1HZ   LYS 110          1HZ       LYS 110  -3.643   5.218 -11.983
  638   2HZ   LYS 110          2HZ       LYS 110  -2.866   3.711 -12.038
  639   3HZ   LYS 110          3HZ       LYS 110  -1.949   5.135 -11.940
  640    H    LYS 111           H        LYS 111  -5.533   8.539  -5.333
  641    HA   LYS 111           HA       LYS 111  -7.286   6.620  -4.574
  642   1HB   LYS 111          1HB       LYS 111  -7.660   8.935  -4.323
  643   2HB   LYS 111          2HB       LYS 111  -7.591   9.206  -6.052
  644   1HG   LYS 111          1HG       LYS 111  -9.697   7.970  -6.320
  645   2HG   LYS 111          2HG       LYS 111  -9.772   7.760  -4.563
  646   1HD   LYS 111          1HD       LYS 111  -9.839  10.143  -4.238
  647   2HD   LYS 111          2HD       LYS 111  -9.620  10.424  -5.965
  648   1HE   LYS 111          1HE       LYS 111 -11.778   9.296  -6.377
  649   2HE   LYS 111          2HE       LYS 111 -11.987   9.109  -4.635
  650   1HZ   LYS 111          1HZ       LYS 111 -13.188  11.029  -5.394
  651   2HZ   LYS 111          2HZ       LYS 111 -11.798  11.674  -6.121
  652   3HZ   LYS 111          3HZ       LYS 111 -11.888  11.542  -4.435
  653    H    ALA 112           H        ALA 112  -7.865   4.848  -5.585
  654    HA   ALA 112           HA       ALA 112  -7.267   4.316  -8.281
  655   1HB   ALA 112          1HB       ALA 112  -8.361   2.179  -7.914
  656   2HB   ALA 112          2HB       ALA 112  -9.070   2.779  -6.415
  657   3HB   ALA 112          3HB       ALA 112  -7.322   2.586  -6.548
  658    H    LEU 113           H        LEU 113  -8.607   4.036 -10.049
  659    HA   LEU 113           HA       LEU 113 -10.820   5.804 -10.234
  660   1HB   LEU 113          1HB       LEU 113 -10.005   3.595 -12.123
  661   2HB   LEU 113          2HB       LEU 113 -11.068   4.939 -12.498
  662    HG   LEU 113           HG       LEU 113  -8.141   5.194 -11.789
  663   1HD1  LEU 113          1HD1      LEU 113  -9.499   5.463 -14.469
  664   2HD1  LEU 113          2HD1      LEU 113  -8.505   4.099 -13.959
  665   3HD1  LEU 113          3HD1      LEU 113  -7.785   5.699 -14.127
  666   1HD2  LEU 113          1HD2      LEU 113 -10.141   7.235 -12.760
  667   2HD2  LEU 113          2HD2      LEU 113  -8.413   7.512 -12.541
  668   3HD2  LEU 113          3HD2      LEU 113  -9.432   7.151 -11.147
  669    H    SER 114           H        SER 114 -10.565   2.752  -8.940
  670    HA   SER 114           HA       SER 114 -13.093   1.637  -9.591
  671   1HB   SER 114          1HB       SER 114 -11.489   1.140  -7.073
  672   2HB   SER 114          2HB       SER 114 -12.623   0.045  -7.869
  673    HG   SER 114           HG       SER 114 -11.096   0.206  -9.722
  674    H    GLY 115           H        GLY 115 -11.971   3.935  -7.199
  675   1HA   GLY 115          1HA       GLY 115 -13.656   5.598  -6.561
  676   2HA   GLY 115          2HA       GLY 115 -14.779   4.268  -6.351
  677    H    ASP 116           H        ASP 116 -13.884   2.541  -4.722
  678    HA   ASP 116           HA       ASP 116 -13.476   4.107  -2.291
  679   1HB   ASP 116          1HB       ASP 116 -14.444   1.268  -2.684
  680   2HB   ASP 116          2HB       ASP 116 -14.255   2.037  -1.114
  681    H    SER 117           H        SER 117 -11.328   3.352  -4.080
  682    HA   SER 117           HA       SER 117  -9.670   1.866  -2.206
  683   1HB   SER 117          1HB       SER 117  -8.661   0.703  -4.252
  684   2HB   SER 117          2HB       SER 117 -10.216   0.141  -3.654
  685    HG   SER 117           HG       SER 117  -9.941   0.547  -6.022
  686    H    TYR 118           H        TYR 118  -7.403   2.118  -2.510
  687    HA   TYR 118           HA       TYR 118  -6.542   4.379  -4.166
  688   1HB   TYR 118          1HB       TYR 118  -5.840   4.152  -1.226
  689   2HB   TYR 118          2HB       TYR 118  -5.416   5.462  -2.326
  690    HD1  TYR 118           HD1      TYR 118  -7.914   4.112  -0.115
  691    HD2  TYR 118           HD2      TYR 118  -7.166   7.001  -3.125
  692    HE1  TYR 118           HE1      TYR 118  -9.940   5.338   0.576
  693    HE2  TYR 118           HE2      TYR 118  -9.191   8.245  -2.455
  694    HH   TYR 118           HH       TYR 118 -11.353   7.759  -1.285
  695    H    TRP 119           H        TRP 119  -4.475   4.084  -4.998
  696    HA   TRP 119           HA       TRP 119  -3.427   1.406  -4.652
  697   1HB   TRP 119          1HB       TRP 119  -2.566   3.733  -6.369
  698   2HB   TRP 119          2HB       TRP 119  -1.779   2.146  -6.382
  699    HD1  TRP 119           HD1      TRP 119  -5.322   3.623  -7.109
  700    HE1  TRP 119           HE1      TRP 119  -6.290   2.299  -9.109
  701    HE3  TRP 119           HE3      TRP 119  -1.539   0.263  -7.766
  702    HZ2  TRP 119           HZ2      TRP 119  -5.529   0.120 -10.738
  703    HZ3  TRP 119           HZ3      TRP 119  -1.720  -1.390  -9.541
  704    HH2  TRP 119           HH2      TRP 119  -3.673  -1.474 -11.014
  705    H    VAL 120           H        VAL 120  -1.167   1.064  -4.311
  706    HA   VAL 120           HA       VAL 120   0.319   3.254  -3.133
  707    HB   VAL 120           HB       VAL 120  -0.701   2.037  -1.571
  708   1HG1  VAL 120          1HG1      VAL 120  -0.859  -0.140  -2.544
  709   2HG1  VAL 120          2HG1      VAL 120  -0.019  -0.218  -0.996
  710   3HG1  VAL 120          3HG1      VAL 120   0.898  -0.311  -2.501
  711   1HG2  VAL 120          1HG2      VAL 120   1.317   3.179  -1.036
  712   2HG2  VAL 120          2HG2      VAL 120   2.287   1.839  -1.650
  713   3HG2  VAL 120          3HG2      VAL 120   1.309   1.628  -0.197
  714    H    PHE 121           H        PHE 121   1.687   3.526  -4.805
  715    HA   PHE 121           HA       PHE 121   3.122   1.270  -5.962
  716   1HB   PHE 121          1HB       PHE 121   3.265   4.250  -6.479
  717   2HB   PHE 121          2HB       PHE 121   4.287   3.068  -7.279
  718    HD1  PHE 121           HD1      PHE 121   0.643   3.407  -6.561
  719    HD2  PHE 121           HD2      PHE 121   3.667   2.641  -9.455
  720    HE1  PHE 121           HE1      PHE 121  -1.088   3.092  -8.281
  721    HE2  PHE 121           HE2      PHE 121   1.944   2.333 -11.180
  722    HZ   PHE 121           HZ       PHE 121  -0.392   2.606 -10.650
  723    H    VAL 122           H        VAL 122   4.587   0.458  -4.553
  724    HA   VAL 122           HA       VAL 122   6.274   2.352  -3.078
  725    HB   VAL 122           HB       VAL 122   7.018   0.529  -1.903
  726   1HG1  VAL 122          1HG1      VAL 122   4.038   0.970  -1.975
  727   2HG1  VAL 122          2HG1      VAL 122   5.214   1.974  -1.129
  728   3HG1  VAL 122          3HG1      VAL 122   4.955   0.305  -0.623
  729   1HG2  VAL 122          1HG2      VAL 122   6.594  -1.216  -3.578
  730   2HG2  VAL 122          2HG2      VAL 122   4.860  -0.996  -3.338
  731   3HG2  VAL 122          3HG2      VAL 122   5.868  -1.573  -2.013
  732    H    LYS 123           H        LYS 123   8.526   2.098  -2.982
  733    HA   LYS 123           HA       LYS 123   9.847   0.224  -4.713
  734   1HB   LYS 123          1HB       LYS 123   9.133   2.073  -6.263
  735   2HB   LYS 123          2HB       LYS 123  10.117   3.179  -5.313
  736   1HG   LYS 123          1HG       LYS 123  11.347   2.549  -7.256
  737   2HG   LYS 123          2HG       LYS 123  12.102   1.786  -5.856
  738   1HD   LYS 123          1HD       LYS 123  12.006   0.169  -7.622
  739   2HD   LYS 123          2HD       LYS 123  10.831  -0.294  -6.392
  740   1HE   LYS 123          1HE       LYS 123   9.029   0.636  -7.712
  741   2HE   LYS 123          2HE       LYS 123  10.177   1.227  -8.911
  742   1HZ   LYS 123          1HZ       LYS 123   9.282  -0.756  -9.766
  743   2HZ   LYS 123          2HZ       LYS 123   9.474  -1.588  -8.300
  744   3HZ   LYS 123          3HZ       LYS 123  10.834  -1.165  -9.220
  745    H    ARG 124           H        ARG 124  12.040   0.038  -4.215
  746    HA   ARG 124           HA       ARG 124  13.085   1.937  -2.237
  747   1HB   ARG 124          1HB       ARG 124  14.350   0.010  -1.206
  748   2HB   ARG 124          2HB       ARG 124  12.615   0.005  -0.934
  749   1HG   ARG 124          1HG       ARG 124  12.313  -1.699  -2.609
  750   2HG   ARG 124          2HG       ARG 124  14.028  -1.636  -3.025
  751   1HD   ARG 124          1HD       ARG 124  13.577  -3.542  -1.596
  752   2HD   ARG 124          2HD       ARG 124  14.596  -2.373  -0.760
  753    HE   ARG 124           HE       ARG 124  11.688  -2.432  -0.276
  754   1HH1  ARG 124          1HH1      ARG 124  14.990  -2.734   0.881
  755   2HH1  ARG 124          2HH1      ARG 124  14.527  -2.828   2.559
  756   1HH2  ARG 124          1HH2      ARG 124  11.076  -2.534   1.937
  757   2HH2  ARG 124          2HH2      ARG 124  12.304  -2.679   3.160
  758    H    VAL 125           H        VAL 125  14.956   2.823  -2.803
  759    HA   VAL 125           HA       VAL 125  16.243   1.775  -5.233
  760    HB   VAL 125           HB       VAL 125  16.395   4.375  -4.016
  761   1HG1  VAL 125          1HG1      VAL 125  17.338   3.239  -6.647
  762   2HG1  VAL 125          2HG1      VAL 125  18.352   3.839  -5.334
  763   3HG1  VAL 125          3HG1      VAL 125  17.323   4.953  -6.235
  764   1HG2  VAL 125          1HG2      VAL 125  14.140   3.909  -4.754
  765   2HG2  VAL 125          2HG2      VAL 125  14.745   3.347  -6.311
  766   3HG2  VAL 125          3HG2      VAL 125  14.930   5.039  -5.853
  767    H2   HC4 169           H2       HC4 169  -1.334  -3.786  21.288
  768    H3   HC4 169           H3       HC4 169   0.013  -2.801  22.665
  769    H2'  HC4 169           H2'      HC4 169   0.772  -1.411  24.478
  770    H3'  HC4 169           H3'      HC4 169   0.415   0.122  26.362
  771    H5'  HC4 169           H5'      HC4 169  -3.792  -0.144  25.765
  772    H6'  HC4 169           H6'      HC4 169  -3.425  -1.660  23.876
  773   'HO4  HC4 169          'HO4      HC4 169  -2.602   0.571  27.811
  Start of MODEL   18
    1    H    LEU  26           H        LEU  26  15.732  -5.171  -4.508
    2    HA   LEU  26           HA       LEU  26  14.364  -3.311  -5.169
    3   1HB   LEU  26          1HB       LEU  26  14.134  -4.874  -7.745
    4   2HB   LEU  26          2HB       LEU  26  13.091  -3.533  -7.315
    5    HG   LEU  26           HG       LEU  26  16.076  -3.364  -7.738
    6   1HD1  LEU  26          1HD1      LEU  26  14.866  -3.746  -9.813
    7   2HD1  LEU  26          2HD1      LEU  26  15.482  -2.095  -9.746
    8   3HD1  LEU  26          3HD1      LEU  26  13.775  -2.413  -9.438
    9   1HD2  LEU  26          1HD2      LEU  26  15.318  -1.751  -6.089
   10   2HD2  LEU  26          2HD2      LEU  26  14.028  -1.223  -7.169
   11   3HD2  LEU  26          3HD2      LEU  26  15.712  -0.935  -7.604
   12    H    ALA  27           H        ALA  27  11.844  -3.727  -5.910
   13    HA   ALA  27           HA       ALA  27  10.862  -6.301  -5.060
   14   1HB   ALA  27          1HB       ALA  27  11.294  -5.219  -2.901
   15   2HB   ALA  27          2HB       ALA  27   9.565  -5.447  -3.172
   16   3HB   ALA  27          3HB       ALA  27  10.287  -3.854  -3.388
   17    H    PHE  28           H        PHE  28   8.461  -6.367  -5.201
   18    HA   PHE  28           HA       PHE  28   7.560  -4.787  -7.460
   19   1HB   PHE  28          1HB       PHE  28   6.143  -6.967  -5.905
   20   2HB   PHE  28          2HB       PHE  28   5.582  -6.250  -7.411
   21    HD1  PHE  28           HD1      PHE  28   6.984  -6.556  -9.485
   22    HD2  PHE  28           HD2      PHE  28   7.632  -8.777  -5.913
   23    HE1  PHE  28           HE1      PHE  28   8.225  -8.250 -10.769
   24    HE2  PHE  28           HE2      PHE  28   8.881 -10.471  -7.188
   25    HZ   PHE  28           HZ       PHE  28   9.179 -10.208  -9.618
   26    H    GLY  29           H        GLY  29   6.744  -2.835  -7.098
   27   1HA   GLY  29          1HA       GLY  29   5.232  -2.436  -4.591
   28   2HA   GLY  29          2HA       GLY  29   6.296  -1.215  -5.274
   29    H    ALA  30           H        ALA  30   3.461  -3.172  -6.153
   30    HA   ALA  30           HA       ALA  30   2.039  -0.750  -6.839
   31   1HB   ALA  30          1HB       ALA  30   1.449  -1.449  -9.101
   32   2HB   ALA  30          2HB       ALA  30   2.475  -2.875  -8.943
   33   3HB   ALA  30          3HB       ALA  30   3.197  -1.265  -8.944
   34    H    ILE  31           H        ILE  31   0.427  -1.173  -5.438
   35    HA   ILE  31           HA       ILE  31  -1.204  -3.543  -5.949
   36    HB   ILE  31           HB       ILE  31   0.078  -4.120  -4.285
   37   1HG1  ILE  31          1HG1      ILE  31  -2.704  -3.412  -3.466
   38   2HG1  ILE  31          2HG1      ILE  31  -2.080  -4.934  -4.095
   39   1HG2  ILE  31          1HG2      ILE  31  -0.722  -1.574  -2.903
   40   2HG2  ILE  31          2HG2      ILE  31   0.890  -1.999  -3.479
   41   3HG2  ILE  31          3HG2      ILE  31   0.164  -2.898  -2.148
   42   1HD1  ILE  31          1HD1      ILE  31  -2.546  -5.057  -1.707
   43   2HD1  ILE  31          2HD1      ILE  31  -1.393  -3.755  -1.418
   44   3HD1  ILE  31          3HD1      ILE  31  -0.833  -5.301  -2.055
   45    H    GLN  32           H        GLN  32  -3.359  -3.235  -5.741
   46    HA   GLN  32           HA       GLN  32  -4.189  -0.562  -4.850
   47   1HB   GLN  32          1HB       GLN  32  -6.186  -0.781  -6.203
   48   2HB   GLN  32          2HB       GLN  32  -4.746  -0.943  -7.181
   49   1HG   GLN  32          1HG       GLN  32  -5.075  -3.196  -7.550
   50   2HG   GLN  32          2HG       GLN  32  -6.172  -3.367  -6.181
   51   1HE2  GLN  32          1HE2      GLN  32  -7.790  -1.036  -6.868
   52   2HE2  GLN  32          2HE2      GLN  32  -8.702  -1.470  -8.263
   53    H    LEU  33           H        LEU  33  -5.308  -0.396  -3.080
   54    HA   LEU  33           HA       LEU  33  -6.825  -2.775  -2.207
   55   1HB   LEU  33          1HB       LEU  33  -6.293  -2.320   0.088
   56   2HB   LEU  33          2HB       LEU  33  -4.828  -2.522  -0.839
   57    HG   LEU  33           HG       LEU  33  -4.816   0.086  -0.933
   58   1HD1  LEU  33          1HD1      LEU  33  -7.014   0.443   0.049
   59   2HD1  LEU  33          2HD1      LEU  33  -5.749   1.139   1.062
   60   3HD1  LEU  33          3HD1      LEU  33  -6.505  -0.389   1.518
   61   1HD2  LEU  33          1HD2      LEU  33  -4.156  -1.445   1.577
   62   2HD2  LEU  33          2HD2      LEU  33  -3.512   0.137   1.135
   63   3HD2  LEU  33          3HD2      LEU  33  -3.128  -1.277   0.154
   64    H    ASP  34           H        ASP  34  -8.694  -2.370  -0.913
   65    HA   ASP  34           HA       ASP  34 -10.088  -0.147  -2.153
   66   1HB   ASP  34          1HB       ASP  34 -11.839  -1.516  -2.181
   67   2HB   ASP  34          2HB       ASP  34 -10.791  -2.765  -1.536
   68    H    GLY  35           H        GLY  35  -9.633   1.665  -1.203
   69   1HA   GLY  35          1HA       GLY  35  -9.996   3.461   0.145
   70   2HA   GLY  35          2HA       GLY  35 -11.583   2.743   0.240
   71    H    ASP  36           H        ASP  36  -8.850   1.191   1.786
   72    HA   ASP  36           HA       ASP  36  -9.094   2.238   4.358
   73   1HB   ASP  36          1HB       ASP  36 -11.424   1.664   4.232
   74   2HB   ASP  36          2HB       ASP  36 -11.036   0.042   3.666
   75    H    GLY  37           H        GLY  37  -9.161  -1.044   2.850
   76   1HA   GLY  37          1HA       GLY  37  -6.496  -1.588   3.687
   77   2HA   GLY  37          2HA       GLY  37  -7.638  -2.265   4.824
   78    H    ASN  38           H        ASN  38  -9.592  -2.937   2.552
   79    HA   ASN  38           HA       ASN  38  -8.571  -5.597   2.345
   80   1HB   ASN  38          1HB       ASN  38 -11.012  -4.232   1.274
   81   2HB   ASN  38          2HB       ASN  38 -10.581  -5.837   0.700
   82   1HD2  ASN  38          1HD2      ASN  38 -11.483  -3.945   3.514
   83   2HD2  ASN  38          2HD2      ASN  38 -12.020  -5.292   4.466
   84    H    ILE  39           H        ILE  39  -7.096  -6.302   1.006
   85    HA   ILE  39           HA       ILE  39  -6.189  -4.763  -1.206
   86    HB   ILE  39           HB       ILE  39  -5.701  -7.458  -0.337
   87   1HG1  ILE  39          1HG1      ILE  39  -4.083  -4.938  -0.190
   88   2HG1  ILE  39          2HG1      ILE  39  -5.030  -5.599   1.135
   89   1HG2  ILE  39          1HG2      ILE  39  -4.377  -5.843  -2.517
   90   2HG2  ILE  39          2HG2      ILE  39  -5.307  -7.324  -2.738
   91   3HG2  ILE  39          3HG2      ILE  39  -3.774  -7.366  -1.867
   92   1HD1  ILE  39          1HD1      ILE  39  -3.653  -7.606   1.111
   93   2HD1  ILE  39          2HD1      ILE  39  -2.692  -6.149   1.374
   94   3HD1  ILE  39          3HD1      ILE  39  -2.699  -6.929  -0.209
   95    H    LEU  40           H        LEU  40  -6.768  -4.811  -3.251
   96    HA   LEU  40           HA       LEU  40  -8.788  -6.788  -4.048
   97   1HB   LEU  40          1HB       LEU  40  -9.336  -4.369  -4.225
   98   2HB   LEU  40          2HB       LEU  40  -8.036  -4.193  -5.389
   99    HG   LEU  40           HG       LEU  40  -9.203  -5.692  -6.943
  100   1HD1  LEU  40          1HD1      LEU  40 -10.348  -7.091  -5.297
  101   2HD1  LEU  40          2HD1      LEU  40 -11.482  -6.426  -6.473
  102   3HD1  LEU  40          3HD1      LEU  40 -11.381  -5.731  -4.855
  103   1HD2  LEU  40          1HD2      LEU  40  -9.620  -3.286  -7.048
  104   2HD2  LEU  40          2HD2      LEU  40 -10.946  -3.463  -5.900
  105   3HD2  LEU  40          3HD2      LEU  40 -11.057  -4.206  -7.495
  106    H    GLN  41           H        GLN  41  -5.806  -5.244  -5.228
  107    HA   GLN  41           HA       GLN  41  -5.147  -7.683  -6.672
  108   1HB   GLN  41          1HB       GLN  41  -6.509  -6.422  -8.293
  109   2HB   GLN  41          2HB       GLN  41  -5.425  -5.048  -8.131
  110   1HG   GLN  41          1HG       GLN  41  -3.576  -6.505  -8.955
  111   2HG   GLN  41          2HG       GLN  41  -4.778  -7.753  -9.273
  112   1HE2  GLN  41          1HE2      GLN  41  -2.999  -6.332 -11.105
  113   2HE2  GLN  41          2HE2      GLN  41  -4.024  -5.598 -12.293
  114    H    TYR  42           H        TYR  42  -2.984  -7.951  -7.050
  115    HA   TYR  42           HA       TYR  42  -1.164  -5.804  -6.187
  116   1HB   TYR  42          1HB       TYR  42  -1.514  -7.501  -4.389
  117   2HB   TYR  42          2HB       TYR  42  -0.914  -8.737  -5.484
  118    HD1  TYR  42           HD1      TYR  42   1.414  -9.102  -5.752
  119    HD2  TYR  42           HD2      TYR  42   0.030  -5.691  -3.624
  120    HE1  TYR  42           HE1      TYR  42   3.698  -8.692  -4.940
  121    HE2  TYR  42           HE2      TYR  42   2.313  -5.266  -2.810
  122    HH   TYR  42           HH       TYR  42   4.377  -6.480  -2.430
  123    H    ASN  43           H        ASN  43   0.670  -5.599  -7.420
  124    HA   ASN  43           HA       ASN  43   0.781  -7.318  -9.791
  125   1HB   ASN  43          1HB       ASN  43   1.811  -4.544  -9.249
  126   2HB   ASN  43          2HB       ASN  43   2.383  -5.484 -10.623
  127   1HD2  ASN  43          1HD2      ASN  43  -0.292  -3.788  -9.226
  128   2HD2  ASN  43          2HD2      ASN  43  -1.286  -3.765 -10.648
  129    H    ALA  44           H        ALA  44   1.867  -9.075  -8.943
  130    HA   ALA  44           HA       ALA  44   4.740  -8.585  -8.495
  131   1HB   ALA  44          1HB       ALA  44   3.123 -10.992  -7.654
  132   2HB   ALA  44          2HB       ALA  44   3.636  -9.686  -6.586
  133   3HB   ALA  44          3HB       ALA  44   4.838 -10.730  -7.346
  134    H    ALA  45           H        ALA  45   2.295 -10.211 -10.311
  135    HA   ALA  45           HA       ALA  45   4.191 -10.770 -12.425
  136   1HB   ALA  45          1HB       ALA  45   2.477 -12.968 -11.260
  137   2HB   ALA  45          2HB       ALA  45   4.230 -12.839 -11.110
  138   3HB   ALA  45          3HB       ALA  45   3.495 -13.094 -12.692
  139    H    GLU  46           H        GLU  46   3.270 -10.372 -14.368
  140    HA   GLU  46           HA       GLU  46   0.438  -9.627 -14.326
  141   1HB   GLU  46          1HB       GLU  46   2.537  -9.075 -16.432
  142   2HB   GLU  46          2HB       GLU  46   0.911  -8.404 -16.386
  143   1HG   GLU  46          1HG       GLU  46   1.441  -7.231 -14.319
  144   2HG   GLU  46          2HG       GLU  46   3.063  -7.919 -14.337
  145    H    GLY  47           H        GLY  47   2.068 -12.306 -14.860
  146   1HA   GLY  47          1HA       GLY  47   0.078 -13.349 -16.717
  147   2HA   GLY  47          2HA       GLY  47   1.760 -13.472 -17.216
  148    H    ASP  48           H        ASP  48   1.211 -15.808 -17.201
  149    HA   ASP  48           HA       ASP  48   1.022 -17.000 -14.559
  150   1HB   ASP  48          1HB       ASP  48   1.033 -18.200 -17.328
  151   2HB   ASP  48          2HB       ASP  48   0.987 -19.160 -15.853
  152    H    ILE  49           H        ILE  49   2.623 -18.072 -13.525
  153    HA   ILE  49           HA       ILE  49   5.244 -18.131 -14.875
  154    HB   ILE  49           HB       ILE  49   5.047 -18.229 -12.052
  155   1HG1  ILE  49          1HG1      ILE  49   5.426 -15.582 -12.515
  156   2HG1  ILE  49          2HG1      ILE  49   4.191 -15.955 -13.712
  157   1HG2  ILE  49          1HG2      ILE  49   6.938 -17.026 -14.066
  158   2HG2  ILE  49          2HG2      ILE  49   7.151 -18.565 -13.230
  159   3HG2  ILE  49          3HG2      ILE  49   7.174 -17.055 -12.318
  160   1HD1  ILE  49          1HD1      ILE  49   3.991 -16.469 -10.753
  161   2HD1  ILE  49          2HD1      ILE  49   2.755 -16.843 -11.952
  162   3HD1  ILE  49          3HD1      ILE  49   3.203 -15.167 -11.644
  163    H    THR  50           H        THR  50   3.480 -20.174 -15.195
  164    HA   THR  50           HA       THR  50   3.102 -22.399 -14.949
  165    HB   THR  50           HB       THR  50   5.792 -22.519 -13.968
  166    HG1  THR  50           HG1      THR  50   4.934 -22.265 -16.682
  167   1HG2  THR  50          1HG2      THR  50   4.118 -24.236 -15.798
  168   2HG2  THR  50          2HG2      THR  50   4.489 -24.598 -14.112
  169   3HG2  THR  50          3HG2      THR  50   5.784 -24.551 -15.310
  170    H    GLY  51           H        GLY  51   1.987 -21.267 -12.887
  171   1HA   GLY  51          1HA       GLY  51   1.491 -23.010 -10.964
  172   2HA   GLY  51          2HA       GLY  51   3.041 -22.390 -10.406
  173    H    ARG  52           H        ARG  52   0.254 -22.201  -9.317
  174    HA   ARG  52           HA       ARG  52  -0.313 -19.356  -9.530
  175   1HB   ARG  52          1HB       ARG  52  -1.790 -21.449  -7.922
  176   2HB   ARG  52          2HB       ARG  52  -2.332 -19.813  -8.260
  177   1HG   ARG  52          1HG       ARG  52  -3.560 -21.054  -9.760
  178   2HG   ARG  52          2HG       ARG  52  -2.183 -20.550 -10.743
  179   1HD   ARG  52          1HD       ARG  52  -1.110 -22.692 -10.398
  180   2HD   ARG  52          2HD       ARG  52  -2.408 -23.199  -9.319
  181    HE   ARG  52           HE       ARG  52  -3.203 -22.474 -12.013
  182   1HH1  ARG  52          1HH1      ARG  52  -2.277 -25.034  -9.811
  183   2HH1  ARG  52          2HH1      ARG  52  -3.050 -26.289 -10.738
  184   1HH2  ARG  52          1HH2      ARG  52  -4.220 -24.116 -13.241
  185   2HH2  ARG  52          2HH2      ARG  52  -4.105 -25.771 -12.717
  186    H    ASP  53           H        ASP  53   1.193 -18.255  -8.390
  187    HA   ASP  53           HA       ASP  53   1.813 -19.086  -5.658
  188   1HB   ASP  53          1HB       ASP  53   3.694 -18.459  -7.108
  189   2HB   ASP  53          2HB       ASP  53   2.993 -16.858  -7.338
  190    HA   PRO  54           HA       PRO  54  -1.130 -15.918  -4.432
  191   1HB   PRO  54          1HB       PRO  54  -2.010 -17.141  -2.234
  192   2HB   PRO  54          2HB       PRO  54  -2.426 -17.745  -3.842
  193   1HG   PRO  54          1HG       PRO  54  -0.492 -18.819  -1.862
  194   2HG   PRO  54          2HG       PRO  54  -1.470 -19.676  -3.064
  195   1HD   PRO  54          1HD       PRO  54   1.262 -18.916  -3.293
  196   2HD   PRO  54          2HD       PRO  54   0.233 -19.623  -4.554
  197    H    LYS  55           H        LYS  55   1.870 -16.605  -3.231
  198    HA   LYS  55           HA       LYS  55   1.595 -15.335  -0.649
  199   1HB   LYS  55          1HB       LYS  55   4.024 -16.355  -2.121
  200   2HB   LYS  55          2HB       LYS  55   4.055 -15.690  -0.492
  201   1HG   LYS  55          1HG       LYS  55   2.520 -17.461   0.244
  202   2HG   LYS  55          2HG       LYS  55   2.552 -18.143  -1.384
  203   1HD   LYS  55          1HD       LYS  55   4.949 -17.803   0.414
  204   2HD   LYS  55          2HD       LYS  55   4.069 -19.311   0.161
  205   1HE   LYS  55          1HE       LYS  55   4.594 -19.107  -2.276
  206   2HE   LYS  55          2HE       LYS  55   5.633 -17.738  -1.879
  207   1HZ   LYS  55          1HZ       LYS  55   5.953 -20.546  -0.971
  208   2HZ   LYS  55          2HZ       LYS  55   6.877 -19.252  -0.382
  209   3HZ   LYS  55          3HZ       LYS  55   6.975 -19.683  -2.019
  210    H    GLN  56           H        GLN  56   0.693 -13.538  -2.231
  211    HA   GLN  56           HA       GLN  56   2.874 -11.628  -2.752
  212   1HB   GLN  56          1HB       GLN  56   0.161 -11.845  -4.066
  213   2HB   GLN  56          2HB       GLN  56   1.345 -10.590  -4.402
  214   1HG   GLN  56          1HG       GLN  56   2.889 -12.225  -5.269
  215   2HG   GLN  56          2HG       GLN  56   1.786 -13.532  -4.844
  216   1HE2  GLN  56          1HE2      GLN  56   1.646 -14.253  -6.952
  217   2HE2  GLN  56          2HE2      GLN  56   0.776 -13.388  -8.171
  218    H    VAL  57           H        VAL  57   0.898 -12.305  -0.407
  219    HA   VAL  57           HA       VAL  57  -0.263 -11.230   1.208
  220    HB   VAL  57           HB       VAL  57   1.056  -8.875   0.248
  221   1HG1  VAL  57          1HG1      VAL  57  -0.713  -8.509   1.892
  222   2HG1  VAL  57          2HG1      VAL  57   0.873  -8.248   2.616
  223   3HG1  VAL  57          3HG1      VAL  57  -0.007  -9.743   2.937
  224   1HG2  VAL  57          1HG2      VAL  57   2.693 -10.646   0.495
  225   2HG2  VAL  57          2HG2      VAL  57   2.053 -11.029   2.093
  226   3HG2  VAL  57          3HG2      VAL  57   2.835  -9.474   1.805
  227    H    ILE  58           H        ILE  58  -2.071 -11.646  -0.345
  228    HA   ILE  58           HA       ILE  58  -3.486  -9.119  -0.858
  229    HB   ILE  58           HB       ILE  58  -4.494  -9.984  -2.659
  230   1HG1  ILE  58          1HG1      ILE  58  -2.597 -12.321  -2.406
  231   2HG1  ILE  58          2HG1      ILE  58  -4.330 -12.386  -2.102
  232   1HG2  ILE  58          1HG2      ILE  58  -1.487 -10.047  -2.791
  233   2HG2  ILE  58          2HG2      ILE  58  -2.517  -8.623  -2.933
  234   3HG2  ILE  58          3HG2      ILE  58  -2.570  -9.874  -4.173
  235   1HD1  ILE  58          1HD1      ILE  58  -3.011 -11.764  -4.735
  236   2HD1  ILE  58          2HD1      ILE  58  -4.749 -11.792  -4.439
  237   3HD1  ILE  58          3HD1      ILE  58  -3.804 -13.274  -4.288
  238    H    GLY  59           H        GLY  59  -5.831  -9.549  -1.244
  239   1HA   GLY  59          1HA       GLY  59  -7.854 -10.389  -0.492
  240   2HA   GLY  59          2HA       GLY  59  -7.017 -11.886  -0.091
  241    H    LYS  60           H        LYS  60  -6.299  -8.649   1.010
  242    HA   LYS  60           HA       LYS  60  -6.090  -9.511   3.718
  243   1HB   LYS  60          1HB       LYS  60  -4.581  -7.831   2.793
  244   2HB   LYS  60          2HB       LYS  60  -5.937  -6.774   2.434
  245   1HG   LYS  60          1HG       LYS  60  -4.761  -6.002   4.398
  246   2HG   LYS  60          2HG       LYS  60  -6.372  -6.563   4.850
  247   1HD   LYS  60          1HD       LYS  60  -5.452  -8.670   5.623
  248   2HD   LYS  60          2HD       LYS  60  -3.838  -8.173   5.109
  249   1HE   LYS  60          1HE       LYS  60  -3.825  -6.379   6.719
  250   2HE   LYS  60          2HE       LYS  60  -5.500  -6.711   7.157
  251   1HZ   LYS  60          1HZ       LYS  60  -4.857  -8.802   8.086
  252   2HZ   LYS  60          2HZ       LYS  60  -3.858  -7.604   8.752
  253   3HZ   LYS  60          3HZ       LYS  60  -3.264  -8.628   7.539
  254    H    ASN  61           H        ASN  61  -8.180 -10.256   4.162
  255    HA   ASN  61           HA       ASN  61 -10.303  -8.259   4.206
  256   1HB   ASN  61          1HB       ASN  61 -10.904 -10.465   3.353
  257   2HB   ASN  61          2HB       ASN  61 -10.375 -11.216   4.855
  258   1HD2  ASN  61          1HD2      ASN  61 -12.797  -9.171   3.370
  259   2HD2  ASN  61          2HD2      ASN  61 -13.990  -9.365   4.611
  260    H    PHE  62           H        PHE  62  -9.823  -6.910   5.777
  261    HA   PHE  62           HA       PHE  62 -10.411  -7.670   8.463
  262   1HB   PHE  62          1HB       PHE  62  -7.949  -8.294   8.176
  263   2HB   PHE  62          2HB       PHE  62  -7.630  -6.579   7.950
  264    HD1  PHE  62           HD1      PHE  62  -7.589  -5.076   9.807
  265    HD2  PHE  62           HD2      PHE  62  -8.717  -9.144  10.345
  266    HE1  PHE  62           HE1      PHE  62  -7.373  -4.813  12.245
  267    HE2  PHE  62           HE2      PHE  62  -8.507  -8.887  12.780
  268    HZ   PHE  62           HZ       PHE  62  -7.834  -6.718  13.734
  269    H    PHE  63           H        PHE  63 -12.004  -6.106   8.245
  270    HA   PHE  63           HA       PHE  63 -11.453  -3.624   6.945
  271   1HB   PHE  63          1HB       PHE  63 -13.674  -4.773   6.887
  272   2HB   PHE  63          2HB       PHE  63 -13.891  -4.343   8.580
  273    HD1  PHE  63           HD1      PHE  63 -14.648  -2.194   9.203
  274    HD2  PHE  63           HD2      PHE  63 -13.464  -2.958   5.185
  275    HE1  PHE  63           HE1      PHE  63 -15.568  -0.018   8.520
  276    HE2  PHE  63           HE2      PHE  63 -14.383  -0.781   4.498
  277    HZ   PHE  63           HZ       PHE  63 -15.434   0.691   6.167
  278    H    LYS  64           H        LYS  64 -12.804  -4.075  10.226
  279    HA   LYS  64           HA       LYS  64 -10.865  -2.192  11.277
  280   1HB   LYS  64          1HB       LYS  64 -13.021  -1.029  10.244
  281   2HB   LYS  64          2HB       LYS  64 -13.721  -1.488  11.787
  282   1HG   LYS  64          1HG       LYS  64 -12.961   0.512  12.450
  283   2HG   LYS  64          2HG       LYS  64 -11.423  -0.336  12.615
  284   1HD   LYS  64          1HD       LYS  64 -12.299   1.136  10.128
  285   2HD   LYS  64          2HD       LYS  64 -11.271   1.826  11.384
  286   1HE   LYS  64          1HE       LYS  64  -9.560   0.204  10.956
  287   2HE   LYS  64          2HE       LYS  64 -10.605  -0.681   9.847
  288   1HZ   LYS  64          1HZ       LYS  64  -8.974   0.711   8.698
  289   2HZ   LYS  64          2HZ       LYS  64  -9.639   2.096   9.420
  290   3HZ   LYS  64          3HZ       LYS  64 -10.563   1.176   8.330
  291    H    ASP  65           H        ASP  65 -10.467  -4.342  12.282
  292    HA   ASP  65           HA       ASP  65 -12.325  -4.901  14.489
  293   1HB   ASP  65          1HB       ASP  65 -10.178  -6.631  13.241
  294   2HB   ASP  65          2HB       ASP  65 -11.075  -7.074  14.689
  295    H    VAL  66           H        VAL  66 -11.311  -5.525  16.564
  296    HA   VAL  66           HA       VAL  66  -9.262  -3.556  17.193
  297    HB   VAL  66           HB       VAL  66 -10.618  -5.356  18.969
  298   1HG1  VAL  66          1HG1      VAL  66  -9.247  -2.684  19.285
  299   2HG1  VAL  66          2HG1      VAL  66  -8.618  -4.240  19.827
  300   3HG1  VAL  66          3HG1      VAL  66 -10.075  -3.572  20.565
  301   1HG2  VAL  66          1HG2      VAL  66 -12.290  -4.165  17.672
  302   2HG2  VAL  66          2HG2      VAL  66 -11.463  -2.641  17.986
  303   3HG2  VAL  66          3HG2      VAL  66 -12.203  -3.533  19.315
  304    H    ALA  67           H        ALA  67  -7.605  -4.767  16.079
  305    HA   ALA  67           HA       ALA  67  -6.736  -7.334  16.663
  306   1HB   ALA  67          1HB       ALA  67  -5.862  -5.990  14.816
  307   2HB   ALA  67          2HB       ALA  67  -4.560  -6.638  15.815
  308   3HB   ALA  67          3HB       ALA  67  -5.030  -4.945  15.968
  309    HA   PRO  68           HA       PRO  68  -5.856  -7.000  20.995
  310   1HB   PRO  68          1HB       PRO  68  -4.223  -9.426  20.438
  311   2HB   PRO  68          2HB       PRO  68  -5.496  -9.172  21.638
  312   1HG   PRO  68          1HG       PRO  68  -5.981 -10.602  19.452
  313   2HG   PRO  68          2HG       PRO  68  -7.201  -9.483  20.091
  314   1HD   PRO  68          1HD       PRO  68  -5.366  -9.152  17.752
  315   2HD   PRO  68          2HD       PRO  68  -7.066  -8.672  17.928
  316    H    CYS  69           H        CYS  69  -3.211  -7.677  18.719
  317    HA   CYS  69           HA       CYS  69  -1.217  -6.814  20.617
  318   1HB   CYS  69          1HB       CYS  69  -0.836  -8.592  18.851
  319   2HB   CYS  69          2HB       CYS  69  -0.804  -7.290  17.664
  320    H    THR  70           H        THR  70  -3.198  -5.327  18.266
  321    HA   THR  70           HA       THR  70  -3.471  -3.187  17.583
  322    HB   THR  70           HB       THR  70  -1.263  -2.593  19.320
  323    HG1  THR  70           HG1      THR  70  -3.601  -3.643  19.894
  324   1HG2  THR  70          1HG2      THR  70  -1.802  -0.831  17.715
  325   2HG2  THR  70          2HG2      THR  70  -2.312  -0.386  19.344
  326   3HG2  THR  70          3HG2      THR  70  -3.504  -0.936  18.164
  327    H    ASP  71           H        ASP  71   0.032  -3.814  17.999
  328    HA   ASP  71           HA       ASP  71   0.686  -2.284  15.647
  329   1HB   ASP  71          1HB       ASP  71   2.201  -2.431  17.630
  330   2HB   ASP  71          2HB       ASP  71   2.476  -4.127  17.248
  331    H    SER  72           H        SER  72  -0.365  -3.276  13.963
  332    HA   SER  72           HA       SER  72   1.167  -5.335  12.742
  333   1HB   SER  72          1HB       SER  72  -0.916  -6.790  12.286
  334   2HB   SER  72          2HB       SER  72  -0.127  -6.927  13.853
  335    HG   SER  72           HG       SER  72  -2.297  -6.762  14.232
  336    HA   PRO  73           HA       PRO  73  -1.660  -3.244   9.541
  337   1HB   PRO  73          1HB       PRO  73  -3.338  -1.263  10.784
  338   2HB   PRO  73          2HB       PRO  73  -3.831  -2.704   9.893
  339   1HG   PRO  73          1HG       PRO  73  -4.229  -2.348  12.583
  340   2HG   PRO  73          2HG       PRO  73  -4.111  -3.933  11.796
  341   1HD   PRO  73          1HD       PRO  73  -2.023  -2.406  13.309
  342   2HD   PRO  73          2HD       PRO  73  -2.395  -4.145  13.343
  343    H    GLU  74           H        GLU  74  -0.118  -2.019   8.640
  344    HA   GLU  74           HA       GLU  74   0.901   0.310  10.098
  345   1HB   GLU  74          1HB       GLU  74   1.998  -1.085   7.651
  346   2HB   GLU  74          2HB       GLU  74   2.762   0.257   8.492
  347   1HG   GLU  74          1HG       GLU  74   2.998  -1.117  10.488
  348   2HG   GLU  74          2HG       GLU  74   2.223  -2.464   9.656
  349    H    PHE  75           H        PHE  75   0.748   2.366   9.317
  350    HA   PHE  75           HA       PHE  75  -0.732   2.728   6.799
  351   1HB   PHE  75          1HB       PHE  75  -1.184   5.065   7.746
  352   2HB   PHE  75          2HB       PHE  75  -2.016   3.720   8.513
  353    HD1  PHE  75           HD1      PHE  75  -1.519   3.091  10.787
  354    HD2  PHE  75           HD2      PHE  75   0.616   6.241   8.881
  355    HE1  PHE  75           HE1      PHE  75  -0.621   3.793  12.967
  356    HE2  PHE  75           HE2      PHE  75   1.518   6.951  11.057
  357    HZ   PHE  75           HZ       PHE  75   0.830   5.745  13.128
  358    H    TYR  76           H        TYR  76  -0.028   4.448   5.367
  359    HA   TYR  76           HA       TYR  76   2.887   4.729   5.578
  360   1HB   TYR  76          1HB       TYR  76   1.187   4.168   3.156
  361   2HB   TYR  76          2HB       TYR  76   2.876   4.658   3.051
  362    HD1  TYR  76           HD1      TYR  76   4.655   3.154   3.896
  363    HD2  TYR  76           HD2      TYR  76   0.573   1.960   3.850
  364    HE1  TYR  76           HE1      TYR  76   5.346   0.806   4.159
  365    HE2  TYR  76           HE2      TYR  76   1.249  -0.386   4.118
  366    HH   TYR  76           HH       TYR  76   3.176  -1.808   3.710
  367    H    GLY  77           H        GLY  77   0.411   6.268   3.418
  368   1HA   GLY  77          1HA       GLY  77   1.927   8.752   3.937
  369   2HA   GLY  77          2HA       GLY  77   1.306   8.319   2.353
  370    H    LYS  78           H        LYS  78   0.476   9.375   5.582
  371    HA   LYS  78           HA       LYS  78  -1.314  10.494   6.438
  372   1HB   LYS  78          1HB       LYS  78  -1.604  11.274   3.528
  373   2HB   LYS  78          2HB       LYS  78  -2.631  11.920   4.793
  374   1HG   LYS  78          1HG       LYS  78  -0.908  13.505   4.259
  375   2HG   LYS  78          2HG       LYS  78  -0.645  12.883   5.887
  376   1HD   LYS  78          1HD       LYS  78   1.176  11.559   5.200
  377   2HD   LYS  78          2HD       LYS  78   0.752  11.718   3.495
  378   1HE   LYS  78          1HE       LYS  78   2.729  13.075   4.233
  379   2HE   LYS  78          2HE       LYS  78   1.447  13.990   3.448
  380   1HZ   LYS  78          1HZ       LYS  78   0.749  14.879   5.489
  381   2HZ   LYS  78          2HZ       LYS  78   2.442  14.992   5.513
  382   3HZ   LYS  78          3HZ       LYS  78   1.662  13.771   6.398
  383    H    PHE  79           H        PHE  79  -1.601   7.722   5.650
  384    HA   PHE  79           HA       PHE  79  -3.569   7.136   3.821
  385   1HB   PHE  79          1HB       PHE  79  -1.924   5.551   4.898
  386   2HB   PHE  79          2HB       PHE  79  -3.015   5.475   6.278
  387    HD1  PHE  79           HD1      PHE  79  -5.058   4.231   6.177
  388    HD2  PHE  79           HD2      PHE  79  -2.587   4.621   2.736
  389    HE1  PHE  79           HE1      PHE  79  -6.340   2.452   5.060
  390    HE2  PHE  79           HE2      PHE  79  -3.866   2.847   1.607
  391    HZ   PHE  79           HZ       PHE  79  -5.750   1.756   2.768
  392    H    LYS  80           H        LYS  80  -3.972   7.944   7.222
  393    HA   LYS  80           HA       LYS  80  -6.610   6.920   7.483
  394   1HB   LYS  80          1HB       LYS  80  -5.209   7.318   9.447
  395   2HB   LYS  80          2HB       LYS  80  -5.184   9.042   9.101
  396   1HG   LYS  80          1HG       LYS  80  -7.598   9.153   9.461
  397   2HG   LYS  80          2HG       LYS  80  -7.623   7.426   9.807
  398   1HD   LYS  80          1HD       LYS  80  -6.191   7.769  11.738
  399   2HD   LYS  80          2HD       LYS  80  -6.089   9.494  11.375
  400   1HE   LYS  80          1HE       LYS  80  -8.527   9.680  11.670
  401   2HE   LYS  80          2HE       LYS  80  -8.594   7.966  12.079
  402   1HZ   LYS  80          1HZ       LYS  80  -7.266   8.371  14.016
  403   2HZ   LYS  80          2HZ       LYS  80  -8.582   9.441  14.031
  404   3HZ   LYS  80          3HZ       LYS  80  -7.043   9.999  13.592
  405    H    GLU  81           H        GLU  81  -5.306  10.150   6.866
  406    HA   GLU  81           HA       GLU  81  -7.956  11.270   6.601
  407   1HB   GLU  81          1HB       GLU  81  -6.028  12.532   7.592
  408   2HB   GLU  81          2HB       GLU  81  -5.287  12.557   5.998
  409   1HG   GLU  81          1HG       GLU  81  -6.949  13.954   5.124
  410   2HG   GLU  81          2HG       GLU  81  -8.023  13.670   6.495
  411    H    GLY  82           H        GLY  82  -5.478   9.935   4.625
  412   1HA   GLY  82          1HA       GLY  82  -6.065  10.923   2.126
  413   2HA   GLY  82          2HA       GLY  82  -5.412   9.340   2.457
  414    H    VAL  83           H        VAL  83  -7.397   8.250   3.922
  415    HA   VAL  83           HA       VAL  83  -9.173   7.322   1.909
  416    HB   VAL  83           HB       VAL  83  -9.220   7.132   4.776
  417   1HG1  VAL  83          1HG1      VAL  83 -11.449   6.766   3.842
  418   2HG1  VAL  83          2HG1      VAL  83 -10.738   5.242   4.369
  419   3HG1  VAL  83          3HG1      VAL  83 -10.780   5.648   2.653
  420   1HG2  VAL  83          1HG2      VAL  83  -7.237   6.193   3.738
  421   2HG2  VAL  83          2HG2      VAL  83  -8.244   5.293   2.603
  422   3HG2  VAL  83          3HG2      VAL  83  -8.305   4.918   4.326
  423    H    ALA  84           H        ALA  84  -9.682   9.377   4.773
  424    HA   ALA  84           HA       ALA  84 -12.507   9.450   4.293
  425   1HB   ALA  84          1HB       ALA  84 -11.584   9.395   6.571
  426   2HB   ALA  84          2HB       ALA  84 -12.632  10.790   6.311
  427   3HB   ALA  84          3HB       ALA  84 -10.879  10.989   6.309
  428    H    SER  85           H        SER  85  -9.788  11.508   3.682
  429    HA   SER  85           HA       SER  85 -11.279  13.830   2.996
  430   1HB   SER  85          1HB       SER  85  -8.774  13.742   3.401
  431   2HB   SER  85          2HB       SER  85  -8.615  13.007   1.808
  432    HG   SER  85           HG       SER  85  -8.473  15.466   2.179
  433    H    GLY  86           H        GLY  86 -10.482  10.860   1.369
  434   1HA   GLY  86          1HA       GLY  86 -11.644   9.892  -0.392
  435   2HA   GLY  86          2HA       GLY  86 -12.517  11.404  -0.613
  436    H    ASN  87           H        ASN  87  -9.046  11.273  -0.445
  437    HA   ASN  87           HA       ASN  87  -8.646  11.217  -3.271
  438   1HB   ASN  87          1HB       ASN  87  -7.751  13.556  -3.470
  439   2HB   ASN  87          2HB       ASN  87  -9.493  13.457  -3.253
  440   1HD2  ASN  87          1HD2      ASN  87 -10.410  14.217  -1.374
  441   2HD2  ASN  87          2HD2      ASN  87  -9.536  15.151  -0.209
  442    H    LEU  88           H        LEU  88  -7.509   9.631  -1.534
  443    HA   LEU  88           HA       LEU  88  -4.976  10.518  -0.601
  444   1HB   LEU  88          1HB       LEU  88  -6.510   8.355  -0.109
  445   2HB   LEU  88          2HB       LEU  88  -5.343   7.661  -1.223
  446    HG   LEU  88           HG       LEU  88  -4.660   9.171   1.242
  447   1HD1  LEU  88          1HD1      LEU  88  -4.756   6.195   0.770
  448   2HD1  LEU  88          2HD1      LEU  88  -5.783   7.119   1.867
  449   3HD1  LEU  88          3HD1      LEU  88  -4.057   6.957   2.199
  450   1HD2  LEU  88          1HD2      LEU  88  -2.950   7.496  -0.569
  451   2HD2  LEU  88          2HD2      LEU  88  -2.419   8.248   0.935
  452   3HD2  LEU  88          3HD2      LEU  88  -2.916   9.254  -0.428
  453    H    ASN  89           H        ASN  89  -4.080  11.539  -2.469
  454    HA   ASN  89           HA       ASN  89  -2.671   9.602  -4.119
  455   1HB   ASN  89          1HB       ASN  89  -4.462  10.131  -5.595
  456   2HB   ASN  89          2HB       ASN  89  -4.359  11.844  -5.221
  457   1HD2  ASN  89          1HD2      ASN  89  -2.913  13.113  -6.305
  458   2HD2  ASN  89          2HD2      ASN  89  -1.934  12.548  -7.611
  459    H    THR  90           H        THR  90  -0.683   9.992  -3.307
  460    HA   THR  90           HA       THR  90   0.502  12.536  -4.044
  461    HB   THR  90           HB       THR  90  -0.377  12.797  -1.913
  462    HG1  THR  90           HG1      THR  90   2.363  12.861  -1.519
  463   1HG2  THR  90          1HG2      THR  90  -0.106  10.539  -1.044
  464   2HG2  THR  90          2HG2      THR  90   0.722  11.722  -0.033
  465   3HG2  THR  90          3HG2      THR  90   1.648  10.708  -1.139
  466    H    MET  91           H        MET  91   2.831  12.497  -3.886
  467    HA   MET  91           HA       MET  91   3.948   9.785  -3.677
  468   1HB   MET  91          1HB       MET  91   5.453  10.191  -5.511
  469   2HB   MET  91          2HB       MET  91   3.813  10.472  -6.053
  470   1HG   MET  91          1HG       MET  91   4.881  12.247  -7.004
  471   2HG   MET  91          2HG       MET  91   4.376  12.966  -5.476
  472   1HE   MET  91          1HE       MET  91   6.671  14.251  -7.289
  473   2HE   MET  91          2HE       MET  91   7.845  14.671  -6.040
  474   3HE   MET  91          3HE       MET  91   6.125  14.914  -5.748
  475    H    PHE  92           H        PHE  92   6.008   9.629  -2.809
  476    HA   PHE  92           HA       PHE  92   7.497  11.927  -1.994
  477   1HB   PHE  92          1HB       PHE  92   5.670  11.991  -0.322
  478   2HB   PHE  92          2HB       PHE  92   6.060  10.343   0.155
  479    HD1  PHE  92           HD1      PHE  92   7.684  13.688  -0.179
  480    HD2  PHE  92           HD2      PHE  92   7.429  10.023   1.970
  481    HE1  PHE  92           HE1      PHE  92   9.281  14.554   1.483
  482    HE2  PHE  92           HE2      PHE  92   9.028  10.880   3.629
  483    HZ   PHE  92           HZ       PHE  92   9.956  13.147   3.387
  484    H    GLU  93           H        GLU  93   9.578  11.355  -1.469
  485    HA   GLU  93           HA       GLU  93  10.149   8.479  -1.507
  486   1HB   GLU  93          1HB       GLU  93  12.031  10.819  -1.906
  487   2HB   GLU  93          2HB       GLU  93  12.457   9.119  -2.050
  488   1HG   GLU  93          1HG       GLU  93  10.955   8.886  -3.947
  489   2HG   GLU  93          2HG       GLU  93  10.483  10.578  -3.791
  490    H    TYR  94           H        TYR  94  10.452   7.572   0.415
  491    HA   TYR  94           HA       TYR  94  11.352   9.285   2.639
  492   1HB   TYR  94          1HB       TYR  94   8.954   8.738   2.795
  493   2HB   TYR  94          2HB       TYR  94   9.337   7.024   2.722
  494    HD1  TYR  94           HD1      TYR  94   9.479   5.850   4.710
  495    HD2  TYR  94           HD2      TYR  94  10.161  10.049   4.753
  496    HE1  TYR  94           HE1      TYR  94   9.678   5.786   7.159
  497    HE2  TYR  94           HE2      TYR  94  10.361   9.997   7.204
  498    HH   TYR  94           HH       TYR  94   9.665   8.607   9.078
  499    H    THR  95           H        THR  95  12.957   8.510   3.923
  500    HA   THR  95           HA       THR  95  14.114   5.933   3.200
  501    HB   THR  95           HB       THR  95  15.709   6.683   4.902
  502    HG1  THR  95           HG1      THR  95  14.989   9.239   4.045
  503   1HG2  THR  95          1HG2      THR  95  16.129   6.389   2.520
  504   2HG2  THR  95          2HG2      THR  95  16.904   7.850   3.134
  505   3HG2  THR  95          3HG2      THR  95  15.415   7.967   2.196
  506    H    PHE  96           H        PHE  96  14.463   4.285   4.683
  507    HA   PHE  96           HA       PHE  96  12.704   4.472   7.028
  508   1HB   PHE  96          1HB       PHE  96  13.478   2.174   5.268
  509   2HB   PHE  96          2HB       PHE  96  12.907   1.884   6.908
  510    HD1  PHE  96           HD1      PHE  96  10.639   2.741   7.563
  511    HD2  PHE  96           HD2      PHE  96  11.978   2.612   3.527
  512    HE1  PHE  96           HE1      PHE  96   8.308   2.879   6.790
  513    HE2  PHE  96           HE2      PHE  96   9.650   2.755   2.747
  514    HZ   PHE  96           HZ       PHE  96   7.814   2.886   4.380
  515    H    ASP  97           H        ASP  97  13.596   4.640   8.902
  516    HA   ASP  97           HA       ASP  97  16.372   3.886   9.314
  517   1HB   ASP  97          1HB       ASP  97  14.326   5.280  11.035
  518   2HB   ASP  97          2HB       ASP  97  15.898   4.790  11.657
  519    H    TYR  98           H        TYR  98  16.697   2.900  11.654
  520    HA   TYR  98           HA       TYR  98  16.510   1.129  13.059
  521   1HB   TYR  98          1HB       TYR  98  14.134   1.793  13.305
  522   2HB   TYR  98          2HB       TYR  98  13.723   0.779  11.929
  523    HD1  TYR  98           HD1      TYR  98  12.529  -1.056  12.616
  524    HD2  TYR  98           HD2      TYR  98  15.818   0.232  14.985
  525    HE1  TYR  98           HE1      TYR  98  12.190  -2.971  14.118
  526    HE2  TYR  98           HE2      TYR  98  15.489  -1.682  16.492
  527    HH   TYR  98           HH       TYR  98  13.839  -3.251  17.141
  528    H    GLN  99           H        GLN  99  16.069   0.890   9.702
  529    HA   GLN  99           HA       GLN  99  16.501  -1.951   9.515
  530   1HB   GLN  99          1HB       GLN  99  16.731   0.243   7.447
  531   2HB   GLN  99          2HB       GLN  99  16.853  -1.476   7.103
  532   1HG   GLN  99          1HG       GLN  99  14.559  -1.799   7.832
  533   2HG   GLN  99          2HG       GLN  99  14.430  -0.083   8.220
  534   1HE2  GLN  99          1HE2      GLN  99  16.023   0.715   5.898
  535   2HE2  GLN  99          2HE2      GLN  99  14.983   0.533   4.529
  536    H    MET 100           H        MET 100  18.458  -2.757   8.272
  537    HA   MET 100           HA       MET 100  20.821  -1.563   9.511
  538   1HB   MET 100          1HB       MET 100  20.422  -4.216   8.132
  539   2HB   MET 100          2HB       MET 100  21.955  -3.665   8.794
  540   1HG   MET 100          1HG       MET 100  20.918  -3.531  11.017
  541   2HG   MET 100          2HG       MET 100  19.417  -4.154  10.335
  542   1HE   MET 100          1HE       MET 100  19.363  -6.104  12.124
  543   2HE   MET 100          2HE       MET 100  20.846  -5.468  12.837
  544   3HE   MET 100          3HE       MET 100  20.727  -7.180  12.435
  545    H    THR 101           H        THR 101  19.193  -1.349   6.666
  546    HA   THR 101           HA       THR 101  21.578  -0.264   5.362
  547    HB   THR 101           HB       THR 101  21.146  -2.246   4.413
  548    HG1  THR 101           HG1      THR 101  21.824  -0.793   2.925
  549   1HG2  THR 101          1HG2      THR 101  18.361  -1.243   3.894
  550   2HG2  THR 101          2HG2      THR 101  18.813  -2.553   4.984
  551   3HG2  THR 101          3HG2      THR 101  19.067  -2.725   3.246
  552    HA   PRO 102           HA       PRO 102  18.964   3.311   5.011
  553   1HB   PRO 102          1HB       PRO 102  20.742   4.341   2.946
  554   2HB   PRO 102          2HB       PRO 102  20.534   4.894   4.609
  555   1HG   PRO 102          1HG       PRO 102  22.788   3.661   3.736
  556   2HG   PRO 102          2HG       PRO 102  22.206   3.543   5.406
  557   1HD   PRO 102          1HD       PRO 102  21.922   1.584   3.157
  558   2HD   PRO 102          2HD       PRO 102  22.313   1.287   4.864
  559    H    THR 103           H        THR 103  17.657   1.426   3.744
  560    HA   THR 103           HA       THR 103  17.408   1.811   0.934
  561    HB   THR 103           HB       THR 103  15.369   0.892   2.725
  562    HG1  THR 103           HG1      THR 103  17.776  -0.337   1.795
  563   1HG2  THR 103          1HG2      THR 103  14.765   1.190   0.381
  564   2HG2  THR 103          2HG2      THR 103  14.847  -0.519   0.809
  565   3HG2  THR 103          3HG2      THR 103  16.159   0.225  -0.105
  566    H    LYS 104           H        LYS 104  16.227   3.239  -0.182
  567    HA   LYS 104           HA       LYS 104  14.381   4.974   1.327
  568   1HB   LYS 104          1HB       LYS 104  16.346   6.093   0.246
  569   2HB   LYS 104          2HB       LYS 104  15.748   5.540  -1.311
  570   1HG   LYS 104          1HG       LYS 104  13.541   6.765  -0.393
  571   2HG   LYS 104          2HG       LYS 104  14.782   7.725   0.417
  572   1HD   LYS 104          1HD       LYS 104  14.224   8.714  -1.723
  573   2HD   LYS 104          2HD       LYS 104  15.880   8.099  -1.752
  574   1HE   LYS 104          1HE       LYS 104  15.066   6.054  -2.871
  575   2HE   LYS 104          2HE       LYS 104  13.440   6.738  -2.893
  576   1HZ   LYS 104          1HZ       LYS 104  14.721   7.003  -4.994
  577   2HZ   LYS 104          2HZ       LYS 104  15.777   8.047  -4.168
  578   3HZ   LYS 104          3HZ       LYS 104  14.139   8.456  -4.343
  579    H    VAL 105           H        VAL 105  12.270   4.875   0.769
  580    HA   VAL 105           HA       VAL 105  11.636   3.436  -1.684
  581    HB   VAL 105           HB       VAL 105   9.511   3.310  -0.966
  582   1HG1  VAL 105          1HG1      VAL 105   9.948   1.746   0.870
  583   2HG1  VAL 105          2HG1      VAL 105  11.574   2.409   1.040
  584   3HG1  VAL 105          3HG1      VAL 105  11.118   1.558  -0.437
  585   1HG2  VAL 105          1HG2      VAL 105  10.479   4.696   1.521
  586   2HG2  VAL 105          2HG2      VAL 105   8.907   3.924   1.315
  587   3HG2  VAL 105          3HG2      VAL 105   9.330   5.337   0.347
  588    H    LYS 106           H        LYS 106   9.955   4.216  -3.003
  589    HA   LYS 106           HA       LYS 106   9.348   7.066  -2.709
  590   1HB   LYS 106          1HB       LYS 106  10.961   6.895  -4.522
  591   2HB   LYS 106          2HB       LYS 106  10.012   5.625  -5.287
  592   1HG   LYS 106          1HG       LYS 106   8.272   7.135  -5.840
  593   2HG   LYS 106          2HG       LYS 106   8.954   8.399  -4.819
  594   1HD   LYS 106          1HD       LYS 106   9.399   8.861  -7.163
  595   2HD   LYS 106          2HD       LYS 106  10.901   8.538  -6.298
  596   1HE   LYS 106          1HE       LYS 106  10.934   6.270  -7.177
  597   2HE   LYS 106          2HE       LYS 106   9.398   6.552  -7.996
  598   1HZ   LYS 106          1HZ       LYS 106  11.316   6.777  -9.484
  599   2HZ   LYS 106          2HZ       LYS 106  11.906   8.051  -8.531
  600   3HZ   LYS 106          3HZ       LYS 106  10.436   8.223  -9.358
  601    H    VAL 107           H        VAL 107   7.279   7.202  -2.271
  602    HA   VAL 107           HA       VAL 107   5.577   5.002  -3.190
  603    HB   VAL 107           HB       VAL 107   3.945   6.027  -1.770
  604   1HG1  VAL 107          1HG1      VAL 107   5.068   3.900  -1.367
  605   2HG1  VAL 107          2HG1      VAL 107   4.947   4.808   0.141
  606   3HG1  VAL 107          3HG1      VAL 107   6.482   4.738  -0.728
  607   1HG2  VAL 107          1HG2      VAL 107   6.408   7.274  -0.564
  608   2HG2  VAL 107          2HG2      VAL 107   4.771   7.290   0.090
  609   3HG2  VAL 107          3HG2      VAL 107   5.130   8.154  -1.405
  610    H    HIS 108           H        HIS 108   3.857   5.248  -4.404
  611    HA   HIS 108           HA       HIS 108   2.665   7.910  -4.519
  612   1HB   HIS 108          1HB       HIS 108   3.865   7.465  -6.690
  613   2HB   HIS 108          2HB       HIS 108   2.817   6.070  -6.922
  614    HD1  HIS 108           HD1      HIS 108   2.617   8.006  -9.105
  615    HD2  HIS 108           HD2      HIS 108   0.401   8.487  -5.610
  616    HE1  HIS 108           HE1      HIS 108   0.681   9.498  -9.718
  617    HE2  HIS 108           HE2      HIS 108  -0.733   9.636  -7.633
  618    H    MET 109           H        MET 109   1.097   7.457  -3.169
  619    HA   MET 109           HA       MET 109  -0.614   5.142  -3.668
  620   1HB   MET 109          1HB       MET 109  -1.809   6.085  -1.582
  621   2HB   MET 109          2HB       MET 109  -0.238   5.334  -1.357
  622   1HG   MET 109          1HG       MET 109  -0.543   8.298  -1.697
  623   2HG   MET 109          2HG       MET 109  -0.710   7.513  -0.128
  624   1HE   MET 109          1HE       MET 109   1.425   5.168  -0.357
  625   2HE   MET 109          2HE       MET 109   1.247   6.185   1.072
  626   3HE   MET 109          3HE       MET 109   2.842   5.935   0.357
  627    H    LYS 110           H        LYS 110  -2.668   5.380  -4.504
  628    HA   LYS 110           HA       LYS 110  -3.485   8.108  -5.146
  629   1HB   LYS 110          1HB       LYS 110  -3.848   7.410  -7.549
  630   2HB   LYS 110          2HB       LYS 110  -2.175   7.646  -7.065
  631   1HG   LYS 110          1HG       LYS 110  -1.728   5.362  -7.065
  632   2HG   LYS 110          2HG       LYS 110  -3.436   4.934  -7.009
  633   1HD   LYS 110          1HD       LYS 110  -2.370   4.550  -9.222
  634   2HD   LYS 110          2HD       LYS 110  -3.755   5.638  -9.271
  635   1HE   LYS 110          1HE       LYS 110  -2.296   7.559  -9.380
  636   2HE   LYS 110          2HE       LYS 110  -0.877   6.530  -9.183
  637   1HZ   LYS 110          1HZ       LYS 110  -1.011   5.772 -11.311
  638   2HZ   LYS 110          2HZ       LYS 110  -1.659   7.323 -11.538
  639   3HZ   LYS 110          3HZ       LYS 110  -2.690   5.980 -11.418
  640    H    LYS 111           H        LYS 111  -5.598   8.352  -4.954
  641    HA   LYS 111           HA       LYS 111  -7.434   6.415  -4.454
  642   1HB   LYS 111          1HB       LYS 111  -7.860   8.703  -4.121
  643   2HB   LYS 111          2HB       LYS 111  -7.602   9.078  -5.815
  644   1HG   LYS 111          1HG       LYS 111  -9.623   7.739  -6.369
  645   2HG   LYS 111          2HG       LYS 111  -9.915   7.553  -4.637
  646   1HD   LYS 111          1HD       LYS 111 -10.309   9.842  -4.344
  647   2HD   LYS 111          2HD       LYS 111  -9.574  10.253  -5.897
  648   1HE   LYS 111          1HE       LYS 111 -12.112   8.652  -5.581
  649   2HE   LYS 111          2HE       LYS 111 -12.071  10.391  -5.863
  650   1HZ   LYS 111          1HZ       LYS 111 -12.381   8.941  -7.883
  651   2HZ   LYS 111          2HZ       LYS 111 -10.766   8.459  -7.693
  652   3HZ   LYS 111          3HZ       LYS 111 -11.133  10.086  -7.979
  653    H    ALA 112           H        ALA 112  -8.033   4.750  -5.572
  654    HA   ALA 112           HA       ALA 112  -7.200   4.241  -8.208
  655   1HB   ALA 112          1HB       ALA 112  -7.519   2.492  -6.539
  656   2HB   ALA 112          2HB       ALA 112  -8.455   2.171  -7.999
  657   3HB   ALA 112          3HB       ALA 112  -9.258   2.789  -6.553
  658    H    LEU 113           H        LEU 113  -8.369   4.074 -10.116
  659    HA   LEU 113           HA       LEU 113 -10.468   5.903 -10.549
  660   1HB   LEU 113          1HB       LEU 113 -10.542   5.097 -12.801
  661   2HB   LEU 113          2HB       LEU 113  -8.867   5.174 -12.299
  662    HG   LEU 113           HG       LEU 113 -10.446   2.603 -12.291
  663   1HD1  LEU 113          1HD1      LEU 113 -10.425   3.503 -14.554
  664   2HD1  LEU 113          2HD1      LEU 113  -9.374   2.092 -14.425
  665   3HD1  LEU 113          3HD1      LEU 113  -8.675   3.710 -14.464
  666   1HD2  LEU 113          1HD2      LEU 113  -7.479   3.160 -12.305
  667   2HD2  LEU 113          2HD2      LEU 113  -8.239   1.568 -12.299
  668   3HD2  LEU 113          3HD2      LEU 113  -8.421   2.636 -10.908
  669    H    SER 114           H        SER 114 -10.539   2.852  -9.174
  670    HA   SER 114           HA       SER 114 -13.117   2.025 -10.121
  671   1HB   SER 114          1HB       SER 114 -12.756   0.397  -8.081
  672   2HB   SER 114          2HB       SER 114 -11.800   0.211  -9.551
  673    HG   SER 114           HG       SER 114 -11.043   1.163  -7.029
  674    H    GLY 115           H        GLY 115 -12.152   4.389  -7.987
  675   1HA   GLY 115          1HA       GLY 115 -13.909   5.779  -7.045
  676   2HA   GLY 115          2HA       GLY 115 -14.795   4.308  -6.675
  677    H    ASP 116           H        ASP 116 -14.864   3.928  -4.569
  678    HA   ASP 116           HA       ASP 116 -12.998   5.097  -2.754
  679   1HB   ASP 116          1HB       ASP 116 -15.355   4.682  -2.133
  680   2HB   ASP 116          2HB       ASP 116 -15.054   2.948  -2.206
  681    H    SER 117           H        SER 117 -11.040   4.360  -3.428
  682    HA   SER 117           HA       SER 117  -9.967   2.100  -2.147
  683   1HB   SER 117          1HB       SER 117  -9.263   0.971  -4.357
  684   2HB   SER 117          2HB       SER 117 -10.886   0.666  -3.739
  685    HG   SER 117           HG       SER 117 -11.245   2.731  -5.191
  686    H    TYR 118           H        TYR 118  -7.671   2.037  -2.465
  687    HA   TYR 118           HA       TYR 118  -6.547   4.253  -4.014
  688   1HB   TYR 118          1HB       TYR 118  -5.880   3.910  -1.079
  689   2HB   TYR 118          2HB       TYR 118  -5.349   5.199  -2.161
  690    HD1  TYR 118           HD1      TYR 118  -7.946   4.035   0.038
  691    HD2  TYR 118           HD2      TYR 118  -6.962   6.881  -2.942
  692    HE1  TYR 118           HE1      TYR 118  -9.860   5.417   0.749
  693    HE2  TYR 118           HE2      TYR 118  -8.878   8.283  -2.256
  694    HH   TYR 118           HH       TYR 118 -11.072   7.973  -1.076
  695    H    TRP 119           H        TRP 119  -4.509   3.864  -4.785
  696    HA   TRP 119           HA       TRP 119  -3.538   1.154  -4.482
  697   1HB   TRP 119          1HB       TRP 119  -2.707   3.489  -6.206
  698   2HB   TRP 119          2HB       TRP 119  -1.871   1.930  -6.218
  699    HD1  TRP 119           HD1      TRP 119  -5.470   3.273  -6.889
  700    HE1  TRP 119           HE1      TRP 119  -6.441   1.842  -8.822
  701    HE3  TRP 119           HE3      TRP 119  -1.575   0.061  -7.566
  702    HZ2  TRP 119           HZ2      TRP 119  -5.631  -0.365 -10.405
  703    HZ3  TRP 119           HZ3      TRP 119  -1.724  -1.651  -9.274
  704    HH2  TRP 119           HH2      TRP 119  -3.711  -1.875 -10.688
  705    H    VAL 120           H        VAL 120  -1.259   0.797  -4.291
  706    HA   VAL 120           HA       VAL 120   0.283   2.848  -2.861
  707    HB   VAL 120           HB       VAL 120   0.233   0.017  -2.327
  708   1HG1  VAL 120          1HG1      VAL 120   1.643   2.340  -1.013
  709   2HG1  VAL 120          2HG1      VAL 120   2.407   1.063  -1.960
  710   3HG1  VAL 120          3HG1      VAL 120   1.635   0.678  -0.421
  711   1HG2  VAL 120          1HG2      VAL 120  -0.929   2.321  -0.785
  712   2HG2  VAL 120          2HG2      VAL 120  -0.770   0.668  -0.189
  713   3HG2  VAL 120          3HG2      VAL 120  -1.824   1.013  -1.561
  714    H    PHE 121           H        PHE 121   1.506   3.301  -4.683
  715    HA   PHE 121           HA       PHE 121   3.038   1.117  -5.902
  716   1HB   PHE 121          1HB       PHE 121   2.825   4.062  -6.560
  717   2HB   PHE 121          2HB       PHE 121   3.942   2.967  -7.361
  718    HD1  PHE 121           HD1      PHE 121   0.451   3.954  -6.972
  719    HD2  PHE 121           HD2      PHE 121   3.152   1.314  -8.927
  720    HE1  PHE 121           HE1      PHE 121  -1.301   3.375  -8.600
  721    HE2  PHE 121           HE2      PHE 121   1.407   0.729 -10.559
  722    HZ   PHE 121           HZ       PHE 121  -0.823   1.761 -10.398
  723    H    VAL 122           H        VAL 122   5.063   0.660  -5.234
  724    HA   VAL 122           HA       VAL 122   6.483   2.693  -3.642
  725    HB   VAL 122           HB       VAL 122   6.479  -0.143  -3.162
  726   1HG1  VAL 122          1HG1      VAL 122   7.587   2.223  -1.652
  727   2HG1  VAL 122          2HG1      VAL 122   8.526   0.995  -2.499
  728   3HG1  VAL 122          3HG1      VAL 122   7.578   0.554  -1.080
  729   1HG2  VAL 122          1HG2      VAL 122   5.005   2.069  -1.761
  730   2HG2  VAL 122          2HG2      VAL 122   5.160   0.410  -1.183
  731   3HG2  VAL 122          3HG2      VAL 122   4.288   0.744  -2.678
  732    H    LYS 123           H        LYS 123   8.534   3.032  -4.254
  733    HA   LYS 123           HA       LYS 123   9.897   0.920  -5.758
  734   1HB   LYS 123          1HB       LYS 123  10.241   3.915  -5.955
  735   2HB   LYS 123          2HB       LYS 123  11.299   2.750  -6.741
  736   1HG   LYS 123          1HG       LYS 123   8.348   3.089  -7.253
  737   2HG   LYS 123          2HG       LYS 123   9.661   3.637  -8.302
  738   1HD   LYS 123          1HD       LYS 123  10.377   1.348  -8.653
  739   2HD   LYS 123          2HD       LYS 123   9.152   0.765  -7.525
  740   1HE   LYS 123          1HE       LYS 123   7.404   1.676  -9.024
  741   2HE   LYS 123          2HE       LYS 123   8.666   2.135 -10.167
  742   1HZ   LYS 123          1HZ       LYS 123   9.287  -0.191 -10.369
  743   2HZ   LYS 123          2HZ       LYS 123   7.653   0.025 -10.767
  744   3HZ   LYS 123          3HZ       LYS 123   8.077  -0.635  -9.263
  745    H    ARG 124           H        ARG 124  11.292  -0.085  -4.455
  746    HA   ARG 124           HA       ARG 124  12.446   1.412  -2.209
  747   1HB   ARG 124          1HB       ARG 124  12.444  -1.582  -2.631
  748   2HB   ARG 124          2HB       ARG 124  12.806  -0.714  -1.146
  749   1HG   ARG 124          1HG       ARG 124  10.495   0.023  -0.993
  750   2HG   ARG 124          2HG       ARG 124  10.126  -0.795  -2.512
  751   1HD   ARG 124          1HD       ARG 124   9.391  -2.194  -0.723
  752   2HD   ARG 124          2HD       ARG 124  10.814  -2.937  -1.448
  753    HE   ARG 124           HE       ARG 124  12.079  -1.968   0.468
  754   1HH1  ARG 124          1HH1      ARG 124   8.646  -2.616   0.718
  755   2HH1  ARG 124          2HH1      ARG 124   8.673  -2.770   2.454
  756   1HH2  ARG 124          1HH2      ARG 124  12.125  -2.176   2.747
  757   2HH2  ARG 124          2HH2      ARG 124  10.650  -2.532   3.604
  758    H    VAL 125           H        VAL 125  14.402   2.243  -2.661
  759    HA   VAL 125           HA       VAL 125  16.260   0.558  -4.201
  760    HB   VAL 125           HB       VAL 125  17.388   2.534  -4.736
  761   1HG1  VAL 125          1HG1      VAL 125  14.552   2.137  -5.682
  762   2HG1  VAL 125          2HG1      VAL 125  15.987   1.314  -6.295
  763   3HG1  VAL 125          3HG1      VAL 125  15.795   3.051  -6.537
  764   1HG2  VAL 125          1HG2      VAL 125  16.189   4.626  -4.667
  765   2HG2  VAL 125          2HG2      VAL 125  16.423   4.010  -3.031
  766   3HG2  VAL 125          3HG2      VAL 125  14.850   3.861  -3.813
  767    H2   HC4 169           H2       HC4 169   3.542  -8.839  18.878
  768    H3   HC4 169           H3       HC4 169   4.912  -9.755  17.471
  769    H2'  HC4 169           H2'      HC4 169   5.817 -10.521  15.366
  770    H3'  HC4 169           H3'      HC4 169   5.711 -10.888  12.940
  771    H5'  HC4 169           H5'      HC4 169   2.052  -8.717  12.788
  772    H6'  HC4 169           H6'      HC4 169   2.126  -8.431  15.217
  773   'HO4  HC4 169          'HO4      HC4 169   3.640  -9.142  10.929
  Start of MODEL   19
    1    H    LEU  26           H        LEU  26  17.059  -1.904  -9.870
    2    HA   LEU  26           HA       LEU  26  15.717  -1.050  -8.132
    3   1HB   LEU  26          1HB       LEU  26  15.472   0.029 -10.276
    4   2HB   LEU  26          2HB       LEU  26  14.303  -1.170 -10.792
    5    HG   LEU  26           HG       LEU  26  12.754  -0.353  -9.018
    6   1HD1  LEU  26          1HD1      LEU  26  14.358   0.622  -7.490
    7   2HD1  LEU  26          2HD1      LEU  26  13.199   1.844  -8.013
    8   3HD1  LEU  26          3HD1      LEU  26  14.822   1.818  -8.702
    9   1HD2  LEU  26          1HD2      LEU  26  13.687   1.687 -11.029
   10   2HD2  LEU  26          2HD2      LEU  26  12.129   1.692 -10.204
   11   3HD2  LEU  26          3HD2      LEU  26  12.532   0.385 -11.317
   12    H    ALA  27           H        ALA  27  14.318  -1.520  -6.565
   13    HA   ALA  27           HA       ALA  27  12.439  -3.722  -6.936
   14   1HB   ALA  27          1HB       ALA  27  12.049  -3.560  -4.539
   15   2HB   ALA  27          2HB       ALA  27  13.039  -2.100  -4.459
   16   3HB   ALA  27          3HB       ALA  27  13.778  -3.647  -4.875
   17    H    PHE  28           H        PHE  28  10.807  -2.976  -8.177
   18    HA   PHE  28           HA       PHE  28   9.421  -0.543  -7.291
   19   1HB   PHE  28          1HB       PHE  28   8.401  -0.490  -9.537
   20   2HB   PHE  28          2HB       PHE  28  10.157  -0.444  -9.620
   21    HD1  PHE  28           HD1      PHE  28  11.400  -2.517 -10.280
   22    HD2  PHE  28           HD2      PHE  28   7.166  -2.206 -10.579
   23    HE1  PHE  28           HE1      PHE  28  11.373  -4.434 -11.818
   24    HE2  PHE  28           HE2      PHE  28   7.133  -4.121 -12.125
   25    HZ   PHE  28           HZ       PHE  28   9.237  -5.215 -12.774
   26    H    GLY  29           H        GLY  29   7.264  -0.591  -6.799
   27   1HA   GLY  29          1HA       GLY  29   5.999  -3.258  -6.764
   28   2HA   GLY  29          2HA       GLY  29   5.917  -2.162  -5.393
   29    H    ALA  30           H        ALA  30   3.899  -3.385  -7.372
   30    HA   ALA  30           HA       ALA  30   2.344  -0.900  -7.414
   31   1HB   ALA  30          1HB       ALA  30   2.542  -2.798  -9.764
   32   2HB   ALA  30          2HB       ALA  30   3.196  -1.161  -9.694
   33   3HB   ALA  30          3HB       ALA  30   1.451  -1.418  -9.644
   34    H    ILE  31           H        ILE  31   0.934  -1.509  -5.847
   35    HA   ILE  31           HA       ILE  31  -0.828  -3.739  -6.503
   36    HB   ILE  31           HB       ILE  31   0.518  -4.648  -5.122
   37   1HG1  ILE  31          1HG1      ILE  31  -1.986  -4.754  -4.664
   38   2HG1  ILE  31          2HG1      ILE  31  -0.853  -5.508  -3.571
   39   1HG2  ILE  31          1HG2      ILE  31   1.704  -2.741  -4.240
   40   2HG2  ILE  31          2HG2      ILE  31   1.145  -3.773  -2.924
   41   3HG2  ILE  31          3HG2      ILE  31   0.287  -2.278  -3.297
   42   1HD1  ILE  31          1HD1      ILE  31  -2.615  -4.368  -2.347
   43   2HD1  ILE  31          2HD1      ILE  31  -2.204  -2.848  -3.143
   44   3HD1  ILE  31          3HD1      ILE  31  -1.052  -3.608  -2.044
   45    H    GLN  32           H        GLN  32  -2.963  -3.401  -5.982
   46    HA   GLN  32           HA       GLN  32  -3.484  -0.733  -4.845
   47   1HB   GLN  32          1HB       GLN  32  -5.349  -0.401  -6.193
   48   2HB   GLN  32          2HB       GLN  32  -4.153  -1.088  -7.276
   49   1HG   GLN  32          1HG       GLN  32  -5.304  -3.017  -7.560
   50   2HG   GLN  32          2HG       GLN  32  -6.085  -2.933  -5.975
   51   1HE2  GLN  32          1HE2      GLN  32  -7.848  -1.441  -5.728
   52   2HE2  GLN  32          2HE2      GLN  32  -8.785  -0.964  -7.100
   53    H    LEU  33           H        LEU  33  -4.983  -0.458  -3.329
   54    HA   LEU  33           HA       LEU  33  -6.440  -2.844  -2.402
   55   1HB   LEU  33          1HB       LEU  33  -5.952  -2.187  -0.074
   56   2HB   LEU  33          2HB       LEU  33  -4.552  -2.727  -0.962
   57    HG   LEU  33           HG       LEU  33  -4.058  -0.217  -1.333
   58   1HD1  LEU  33          1HD1      LEU  33  -4.862   1.262   0.433
   59   2HD1  LEU  33          2HD1      LEU  33  -5.904  -0.025   1.042
   60   3HD1  LEU  33          3HD1      LEU  33  -6.192   0.661  -0.557
   61   1HD2  LEU  33          1HD2      LEU  33  -2.693  -1.681   0.037
   62   2HD2  LEU  33          2HD2      LEU  33  -3.799  -1.470   1.395
   63   3HD2  LEU  33          3HD2      LEU  33  -2.864  -0.100   0.800
   64    H    ASP  34           H        ASP  34  -8.227  -2.289  -0.949
   65    HA   ASP  34           HA       ASP  34  -9.520   0.136  -1.934
   66   1HB   ASP  34          1HB       ASP  34 -11.562  -0.727  -0.806
   67   2HB   ASP  34          2HB       ASP  34 -10.914  -1.816  -2.024
   68    H    GLY  35           H        GLY  35 -10.495   1.668  -0.574
   69   1HA   GLY  35          1HA       GLY  35  -8.774   2.468   1.561
   70   2HA   GLY  35          2HA       GLY  35 -10.263   3.268   1.072
   71    H    ASP  36           H        ASP  36 -11.319   0.340   1.418
   72    HA   ASP  36           HA       ASP  36 -12.465   0.750   3.996
   73   1HB   ASP  36          1HB       ASP  36 -13.741  -0.313   2.229
   74   2HB   ASP  36          2HB       ASP  36 -12.537  -1.588   2.075
   75    H    GLY  37           H        GLY  37  -9.926  -1.329   2.643
   76   1HA   GLY  37          1HA       GLY  37  -8.049  -1.202   4.444
   77   2HA   GLY  37          2HA       GLY  37  -9.206  -2.124   5.383
   78    H    ASN  38           H        ASN  38  -9.523  -3.048   2.189
   79    HA   ASN  38           HA       ASN  38  -7.938  -5.479   2.773
   80   1HB   ASN  38          1HB       ASN  38 -10.177  -5.267   0.765
   81   2HB   ASN  38          2HB       ASN  38  -9.498  -6.720   1.489
   82   1HD2  ASN  38          1HD2      ASN  38 -11.478  -3.909   2.026
   83   2HD2  ASN  38          2HD2      ASN  38 -12.316  -4.515   3.419
   84    H    ILE  39           H        ILE  39  -6.890  -6.551   1.014
   85    HA   ILE  39           HA       ILE  39  -5.812  -4.721  -0.975
   86    HB   ILE  39           HB       ILE  39  -5.415  -7.529  -0.459
   87   1HG1  ILE  39          1HG1      ILE  39  -4.689  -6.093   1.360
   88   2HG1  ILE  39          2HG1      ILE  39  -3.329  -6.817   0.514
   89   1HG2  ILE  39          1HG2      ILE  39  -3.977  -5.603  -2.292
   90   2HG2  ILE  39          2HG2      ILE  39  -4.946  -6.990  -2.790
   91   3HG2  ILE  39          3HG2      ILE  39  -3.441  -7.241  -1.906
   92   1HD1  ILE  39          1HD1      ILE  39  -2.945  -4.715  -0.662
   93   2HD1  ILE  39          2HD1      ILE  39  -2.884  -4.501   1.088
   94   3HD1  ILE  39          3HD1      ILE  39  -4.312  -3.990   0.185
   95    H    LEU  40           H        LEU  40  -6.216  -4.864  -3.203
   96    HA   LEU  40           HA       LEU  40  -8.521  -6.582  -3.860
   97   1HB   LEU  40          1HB       LEU  40  -8.909  -4.141  -4.041
   98   2HB   LEU  40          2HB       LEU  40  -7.644  -4.056  -5.255
   99    HG   LEU  40           HG       LEU  40  -8.942  -5.448  -6.769
  100   1HD1  LEU  40          1HD1      LEU  40 -10.033  -6.873  -5.120
  101   2HD1  LEU  40          2HD1      LEU  40 -11.214  -6.152  -6.214
  102   3HD1  LEU  40          3HD1      LEU  40 -11.018  -5.512  -4.582
  103   1HD2  LEU  40          1HD2      LEU  40 -10.823  -3.936  -7.187
  104   2HD2  LEU  40          2HD2      LEU  40  -9.337  -3.051  -6.843
  105   3HD2  LEU  40          3HD2      LEU  40 -10.580  -3.201  -5.601
  106    H    GLN  41           H        GLN  41  -5.598  -5.188  -5.397
  107    HA   GLN  41           HA       GLN  41  -5.106  -7.818  -6.559
  108   1HB   GLN  41          1HB       GLN  41  -4.874  -7.071  -8.849
  109   2HB   GLN  41          2HB       GLN  41  -6.492  -6.713  -8.280
  110   1HG   GLN  41          1HG       GLN  41  -5.995  -4.399  -8.068
  111   2HG   GLN  41          2HG       GLN  41  -4.281  -4.685  -8.368
  112   1HE2  GLN  41          1HE2      GLN  41  -6.231  -2.984  -9.779
  113   2HE2  GLN  41          2HE2      GLN  41  -6.180  -3.502 -11.430
  114    H    TYR  42           H        TYR  42  -3.019  -8.266  -6.950
  115    HA   TYR  42           HA       TYR  42  -1.077  -6.135  -6.365
  116   1HB   TYR  42          1HB       TYR  42  -0.929  -7.954  -4.743
  117   2HB   TYR  42          2HB       TYR  42  -0.807  -9.138  -6.038
  118    HD1  TYR  42           HD1      TYR  42   1.289  -9.734  -6.908
  119    HD2  TYR  42           HD2      TYR  42   0.955  -6.244  -4.507
  120    HE1  TYR  42           HE1      TYR  42   3.738  -9.531  -6.878
  121    HE2  TYR  42           HE2      TYR  42   3.403  -6.024  -4.471
  122    HH   TYR  42           HH       TYR  42   5.436  -7.717  -6.549
  123    H    ASN  43           H        ASN  43   0.002  -5.431  -8.058
  124    HA   ASN  43           HA       ASN  43  -0.026  -7.021 -10.508
  125   1HB   ASN  43          1HB       ASN  43   0.870  -4.148 -10.147
  126   2HB   ASN  43          2HB       ASN  43   0.547  -4.970 -11.668
  127   1HD2  ASN  43          1HD2      ASN  43  -1.033  -3.585 -12.375
  128   2HD2  ASN  43          2HD2      ASN  43  -2.576  -3.432 -11.602
  129    H    ALA  44           H        ALA  44   2.017  -7.041 -11.791
  130    HA   ALA  44           HA       ALA  44   4.173  -7.685 -12.021
  131   1HB   ALA  44          1HB       ALA  44   4.839  -5.632 -10.862
  132   2HB   ALA  44          2HB       ALA  44   5.902  -6.983 -10.468
  133   3HB   ALA  44          3HB       ALA  44   4.675  -6.462  -9.313
  134    H    ALA  45           H        ALA  45   5.810  -9.255 -11.013
  135    HA   ALA  45           HA       ALA  45   4.365 -11.141  -9.270
  136   1HB   ALA  45          1HB       ALA  45   5.139 -13.003 -10.597
  137   2HB   ALA  45          2HB       ALA  45   6.023 -11.913 -11.663
  138   3HB   ALA  45          3HB       ALA  45   4.261 -11.870 -11.623
  139    H    GLU  46           H        GLU  46   5.469 -11.900  -7.601
  140    HA   GLU  46           HA       GLU  46   8.311 -11.236  -7.406
  141   1HB   GLU  46          1HB       GLU  46   8.011 -11.864  -4.982
  142   2HB   GLU  46          2HB       GLU  46   7.091 -10.466  -5.516
  143   1HG   GLU  46          1HG       GLU  46   5.073 -11.759  -5.613
  144   2HG   GLU  46          2HG       GLU  46   5.962 -13.243  -5.273
  145    H    GLY  47           H        GLY  47   9.455 -12.772  -8.420
  146   1HA   GLY  47          1HA       GLY  47   9.750 -15.300  -7.127
  147   2HA   GLY  47          2HA       GLY  47   8.927 -15.465  -8.673
  148    H    ASP  48           H        ASP  48  11.574 -13.346  -7.632
  149    HA   ASP  48           HA       ASP  48  13.451 -14.751  -9.322
  150   1HB   ASP  48          1HB       ASP  48  12.269 -13.196 -10.871
  151   2HB   ASP  48          2HB       ASP  48  12.820 -11.848  -9.885
  152    H    ILE  49           H        ILE  49  15.142 -14.943  -8.082
  153    HA   ILE  49           HA       ILE  49  16.691 -14.632  -6.463
  154    HB   ILE  49           HB       ILE  49  16.420 -11.829  -7.037
  155   1HG1  ILE  49          1HG1      ILE  49  17.934 -13.966  -8.544
  156   2HG1  ILE  49          2HG1      ILE  49  16.521 -13.103  -9.141
  157   1HG2  ILE  49          1HG2      ILE  49  18.829 -11.905  -6.512
  158   2HG2  ILE  49          2HG2      ILE  49  18.685 -13.623  -6.140
  159   3HG2  ILE  49          3HG2      ILE  49  17.846 -12.431  -5.146
  160   1HD1  ILE  49          1HD1      ILE  49  19.192 -11.883  -8.479
  161   2HD1  ILE  49          2HD1      ILE  49  17.776 -11.006  -9.056
  162   3HD1  ILE  49          3HD1      ILE  49  18.554 -12.203 -10.093
  163    H    THR  50           H        THR  50  14.292 -14.964  -5.423
  164    HA   THR  50           HA       THR  50  14.045 -12.958  -3.291
  165    HB   THR  50           HB       THR  50  12.106 -14.250  -2.766
  166    HG1  THR  50           HG1      THR  50  11.334 -15.554  -4.397
  167   1HG2  THR  50          1HG2      THR  50  10.842 -13.077  -4.501
  168   2HG2  THR  50          2HG2      THR  50  12.349 -12.736  -5.354
  169   3HG2  THR  50          3HG2      THR  50  12.064 -12.044  -3.757
  170    H    GLY  51           H        GLY  51  13.356 -13.958  -1.115
  171   1HA   GLY  51          1HA       GLY  51  14.926 -16.419  -0.638
  172   2HA   GLY  51          2HA       GLY  51  15.052 -15.023   0.426
  173    H    ARG  52           H        ARG  52  12.644 -14.222   0.971
  174    HA   ARG  52           HA       ARG  52  11.065 -16.571   1.738
  175   1HB   ARG  52          1HB       ARG  52  11.837 -14.229   3.477
  176   2HB   ARG  52          2HB       ARG  52  10.502 -15.307   3.869
  177   1HG   ARG  52          1HG       ARG  52  12.075 -17.205   3.864
  178   2HG   ARG  52          2HG       ARG  52  13.396 -16.071   3.567
  179   1HD   ARG  52          1HD       ARG  52  13.202 -15.105   5.675
  180   2HD   ARG  52          2HD       ARG  52  11.557 -15.698   5.900
  181    HE   ARG  52           HE       ARG  52  12.889 -17.994   5.829
  182   1HH1  ARG  52          1HH1      ARG  52  13.677 -15.011   7.506
  183   2HH1  ARG  52          2HH1      ARG  52  14.428 -15.824   8.849
  184   1HH2  ARG  52          1HH2      ARG  52  13.918 -19.052   7.594
  185   2HH2  ARG  52          2HH2      ARG  52  14.584 -18.092   8.886
  186    H    ASP  53           H        ASP  53   8.815 -16.126   2.137
  187    HA   ASP  53           HA       ASP  53   7.801 -14.321   0.125
  188   1HB   ASP  53          1HB       ASP  53   6.384 -16.242   1.980
  189   2HB   ASP  53          2HB       ASP  53   5.589 -15.308   0.719
  190    HA   PRO  54           HA       PRO  54   6.862 -11.179   3.182
  191   1HB   PRO  54          1HB       PRO  54   6.236  -9.423   0.997
  192   2HB   PRO  54          2HB       PRO  54   7.666  -9.405   2.029
  193   1HG   PRO  54          1HG       PRO  54   7.687 -10.037  -0.653
  194   2HG   PRO  54          2HG       PRO  54   8.922 -10.549   0.511
  195   1HD   PRO  54          1HD       PRO  54   6.601 -12.083  -0.593
  196   2HD   PRO  54          2HD       PRO  54   8.255 -12.632  -0.239
  197    H    LYS  55           H        LYS  55   4.954 -12.644   0.789
  198    HA   LYS  55           HA       LYS  55   2.740 -12.862   0.401
  199   1HB   LYS  55          1HB       LYS  55   2.576 -11.928   3.269
  200   2HB   LYS  55          2HB       LYS  55   1.192 -12.500   2.345
  201   1HG   LYS  55          1HG       LYS  55   2.170 -14.676   2.112
  202   2HG   LYS  55          2HG       LYS  55   3.668 -14.130   2.870
  203   1HD   LYS  55          1HD       LYS  55   0.973 -14.161   4.222
  204   2HD   LYS  55          2HD       LYS  55   2.193 -15.426   4.388
  205   1HE   LYS  55          1HE       LYS  55   3.762 -13.795   5.308
  206   2HE   LYS  55          2HE       LYS  55   2.554 -12.525   5.130
  207   1HZ   LYS  55          1HZ       LYS  55   2.641 -13.348   7.391
  208   2HZ   LYS  55          2HZ       LYS  55   2.301 -14.923   6.867
  209   3HZ   LYS  55          3HZ       LYS  55   1.136 -13.701   6.693
  210    H    GLN  56           H        GLN  56   3.163 -11.109  -1.107
  211    HA   GLN  56           HA       GLN  56   1.967  -8.538  -0.345
  212   1HB   GLN  56          1HB       GLN  56   3.829  -9.340  -2.578
  213   2HB   GLN  56          2HB       GLN  56   3.055  -7.765  -2.509
  214   1HG   GLN  56          1HG       GLN  56   4.206  -7.178  -0.531
  215   2HG   GLN  56          2HG       GLN  56   4.764  -8.832  -0.286
  216   1HE2  GLN  56          1HE2      GLN  56   5.499  -9.322  -3.005
  217   2HE2  GLN  56          2HE2      GLN  56   6.918  -8.375  -3.322
  218    H    VAL  57           H        VAL  57   1.672 -11.239  -2.534
  219    HA   VAL  57           HA       VAL  57  -0.258 -10.039  -4.239
  220    HB   VAL  57           HB       VAL  57   0.993 -11.741  -4.931
  221   1HG1  VAL  57          1HG1      VAL  57   0.493 -14.076  -4.185
  222   2HG1  VAL  57          2HG1      VAL  57  -0.329 -13.385  -2.786
  223   3HG1  VAL  57          3HG1      VAL  57   1.396 -13.103  -3.026
  224   1HG2  VAL  57          1HG2      VAL  57  -0.779 -13.104  -5.910
  225   2HG2  VAL  57          2HG2      VAL  57  -1.122 -11.374  -5.970
  226   3HG2  VAL  57          3HG2      VAL  57  -1.926 -12.389  -4.773
  227    H    ILE  58           H        ILE  58  -1.778  -9.084  -3.019
  228    HA   ILE  58           HA       ILE  58  -3.623  -8.768  -1.751
  229    HB   ILE  58           HB       ILE  58  -4.074 -11.583  -2.117
  230   1HG1  ILE  58          1HG1      ILE  58  -4.830  -9.237  -3.863
  231   2HG1  ILE  58          2HG1      ILE  58  -3.637 -10.467  -4.271
  232   1HG2  ILE  58          1HG2      ILE  58  -6.408 -10.874  -1.839
  233   2HG2  ILE  58          2HG2      ILE  58  -5.867  -9.219  -1.557
  234   3HG2  ILE  58          3HG2      ILE  58  -5.446 -10.492  -0.412
  235   1HD1  ILE  58          1HD1      ILE  58  -6.587 -10.903  -3.864
  236   2HD1  ILE  58          2HD1      ILE  58  -5.408 -12.168  -4.213
  237   3HD1  ILE  58          3HD1      ILE  58  -5.721 -10.903  -5.401
  238    H    GLY  59           H        GLY  59  -2.048  -8.484  -0.103
  239   1HA   GLY  59          1HA       GLY  59  -1.443 -10.594   1.737
  240   2HA   GLY  59          2HA       GLY  59  -1.054  -8.892   1.937
  241    H    LYS  60           H        LYS  60  -4.046  -8.327   1.430
  242    HA   LYS  60           HA       LYS  60  -4.905  -9.033   4.151
  243   1HB   LYS  60          1HB       LYS  60  -4.463  -6.682   4.039
  244   2HB   LYS  60          2HB       LYS  60  -5.366  -6.540   2.533
  245   1HG   LYS  60          1HG       LYS  60  -6.727  -5.658   4.270
  246   2HG   LYS  60          2HG       LYS  60  -7.418  -7.213   3.806
  247   1HD   LYS  60          1HD       LYS  60  -7.472  -7.257   6.137
  248   2HD   LYS  60          2HD       LYS  60  -6.019  -8.176   5.735
  249   1HE   LYS  60          1HE       LYS  60  -5.556  -6.649   7.558
  250   2HE   LYS  60          2HE       LYS  60  -4.665  -6.156   6.117
  251   1HZ   LYS  60          1HZ       LYS  60  -5.687  -4.262   7.236
  252   2HZ   LYS  60          2HZ       LYS  60  -7.227  -4.968   7.053
  253   3HZ   LYS  60          3HZ       LYS  60  -6.351  -4.480   5.688
  254    H    ASN  61           H        ASN  61  -6.268 -10.695   3.843
  255    HA   ASN  61           HA       ASN  61  -8.717 -10.002   2.410
  256   1HB   ASN  61          1HB       ASN  61  -8.957 -12.410   1.706
  257   2HB   ASN  61          2HB       ASN  61  -7.682 -11.524   0.885
  258   1HD2  ASN  61          1HD2      ASN  61  -8.466 -14.186   2.866
  259   2HD2  ASN  61          2HD2      ASN  61  -6.870 -14.835   3.015
  260    H    PHE  62           H        PHE  62  -9.805  -9.499   4.166
  261    HA   PHE  62           HA       PHE  62 -10.883  -9.615   6.146
  262   1HB   PHE  62          1HB       PHE  62 -12.155 -11.214   4.683
  263   2HB   PHE  62          2HB       PHE  62 -11.265 -12.525   5.452
  264    HD1  PHE  62           HD1      PHE  62 -13.273  -9.528   6.424
  265    HD2  PHE  62           HD2      PHE  62 -12.254 -13.585   7.217
  266    HE1  PHE  62           HE1      PHE  62 -14.928  -9.585   8.242
  267    HE2  PHE  62           HE2      PHE  62 -13.904 -13.644   9.040
  268    HZ   PHE  62           HZ       PHE  62 -15.221 -11.606   9.575
  269    H    PHE  63           H        PHE  63  -9.038  -9.226   7.452
  270    HA   PHE  63           HA       PHE  63  -7.974 -11.597   8.839
  271   1HB   PHE  63          1HB       PHE  63  -6.240 -10.109   8.028
  272   2HB   PHE  63          2HB       PHE  63  -7.026  -8.719   8.770
  273    HD1  PHE  63           HD1      PHE  63  -6.201  -7.954  10.762
  274    HD2  PHE  63           HD2      PHE  63  -5.644 -12.046   9.743
  275    HE1  PHE  63           HE1      PHE  63  -4.863  -8.272  12.802
  276    HE2  PHE  63           HE2      PHE  63  -4.305 -12.374  11.781
  277    HZ   PHE  63           HZ       PHE  63  -3.911 -10.487  13.311
  278    H    LYS  64           H        LYS  64  -9.011  -8.310   9.575
  279    HA   LYS  64           HA       LYS  64 -10.889  -9.245  11.573
  280   1HB   LYS  64          1HB       LYS  64  -8.628  -7.343  12.261
  281   2HB   LYS  64          2HB       LYS  64 -10.085  -7.505  13.228
  282   1HG   LYS  64          1HG       LYS  64  -9.537  -9.881  13.599
  283   2HG   LYS  64          2HG       LYS  64  -8.039  -9.648  12.697
  284   1HD   LYS  64          1HD       LYS  64  -7.566  -9.516  15.054
  285   2HD   LYS  64          2HD       LYS  64  -7.374  -7.915  14.340
  286   1HE   LYS  64          1HE       LYS  64  -8.541  -7.809  16.489
  287   2HE   LYS  64          2HE       LYS  64  -9.578  -7.271  15.166
  288   1HZ   LYS  64          1HZ       LYS  64 -10.608  -8.823  16.859
  289   2HZ   LYS  64          2HZ       LYS  64  -9.647 -10.053  16.192
  290   3HZ   LYS  64          3HZ       LYS  64 -10.795  -9.263  15.232
  291    H    ASP  65           H        ASP  65  -9.378  -6.104  11.077
  292    HA   ASP  65           HA       ASP  65  -9.828  -4.341   9.762
  293   1HB   ASP  65          1HB       ASP  65 -11.664  -6.263   8.332
  294   2HB   ASP  65          2HB       ASP  65 -11.201  -4.672   7.732
  295    H    VAL  66           H        VAL  66 -12.370  -5.837  11.484
  296    HA   VAL  66           HA       VAL  66 -14.426  -4.001  11.190
  297    HB   VAL  66           HB       VAL  66 -14.637  -5.926  12.310
  298   1HG1  VAL  66          1HG1      VAL  66 -12.820  -4.743  14.402
  299   2HG1  VAL  66          2HG1      VAL  66 -12.509  -6.174  13.419
  300   3HG1  VAL  66          3HG1      VAL  66 -13.803  -6.191  14.614
  301   1HG2  VAL  66          1HG2      VAL  66 -15.911  -5.098  14.205
  302   2HG2  VAL  66          2HG2      VAL  66 -16.185  -4.138  12.752
  303   3HG2  VAL  66          3HG2      VAL  66 -15.139  -3.522  14.031
  304    H    ALA  67           H        ALA  67 -11.600  -3.864  13.317
  305    HA   ALA  67           HA       ALA  67 -11.986  -0.953  13.482
  306   1HB   ALA  67          1HB       ALA  67 -10.898  -1.005  15.691
  307   2HB   ALA  67          2HB       ALA  67 -10.839  -2.766  15.614
  308   3HB   ALA  67          3HB       ALA  67 -12.394  -1.937  15.678
  309    HA   PRO  68           HA       PRO  68  -8.131  -1.582  11.225
  310   1HB   PRO  68          1HB       PRO  68  -8.369   1.223  10.486
  311   2HB   PRO  68          2HB       PRO  68  -8.468  -0.211   9.460
  312   1HG   PRO  68          1HG       PRO  68 -10.611   1.366  10.004
  313   2HG   PRO  68          2HG       PRO  68 -10.744  -0.370   9.677
  314   1HD   PRO  68          1HD       PRO  68 -10.780   1.072  12.304
  315   2HD   PRO  68          2HD       PRO  68 -11.780  -0.290  11.750
  316    H    CYS  69           H        CYS  69  -7.136  -1.680  13.416
  317    HA   CYS  69           HA       CYS  69  -5.380   0.648  13.699
  318   1HB   CYS  69          1HB       CYS  69  -6.655  -0.850  15.997
  319   2HB   CYS  69          2HB       CYS  69  -5.368   0.337  16.167
  320    H    THR  70           H        THR  70  -3.267   0.171  14.271
  321    HA   THR  70           HA       THR  70  -1.343  -0.996  14.021
  322    HB   THR  70           HB       THR  70  -2.698  -3.249  15.145
  323    HG1  THR  70           HG1      THR  70  -2.075  -2.050  17.171
  324   1HG2  THR  70          1HG2      THR  70  -0.536  -3.459  16.262
  325   2HG2  THR  70          2HG2      THR  70   0.037  -2.011  15.434
  326   3HG2  THR  70          3HG2      THR  70  -0.350  -3.461  14.508
  327    H    ASP  71           H        ASP  71  -2.664  -0.954  11.757
  328    HA   ASP  71           HA       ASP  71  -2.099  -3.557  10.564
  329   1HB   ASP  71          1HB       ASP  71  -4.507  -3.595  10.934
  330   2HB   ASP  71          2HB       ASP  71  -4.679  -2.020  10.168
  331    H    SER  72           H        SER  72  -0.588  -3.140   9.108
  332    HA   SER  72           HA       SER  72  -0.955  -1.080   7.125
  333   1HB   SER  72          1HB       SER  72   1.433  -0.958   8.987
  334   2HB   SER  72          2HB       SER  72   1.168   0.067   7.578
  335    HG   SER  72           HG       SER  72  -1.008   0.227   9.068
  336    HA   PRO  73           HA       PRO  73   1.450  -4.299   5.119
  337   1HB   PRO  73          1HB       PRO  73   0.620  -3.372   2.586
  338   2HB   PRO  73          2HB       PRO  73  -0.087  -4.697   3.509
  339   1HG   PRO  73          1HG       PRO  73  -1.317  -2.251   2.903
  340   2HG   PRO  73          2HG       PRO  73  -1.885  -3.445   4.080
  341   1HD   PRO  73          1HD       PRO  73  -0.372  -0.919   4.514
  342   2HD   PRO  73          2HD       PRO  73  -1.565  -1.716   5.560
  343    H    GLU  74           H        GLU  74   3.431  -3.322   5.687
  344    HA   GLU  74           HA       GLU  74   5.478  -2.480   5.254
  345   1HB   GLU  74          1HB       GLU  74   4.444  -2.225   2.428
  346   2HB   GLU  74          2HB       GLU  74   6.115  -1.950   2.905
  347   1HG   GLU  74          1HG       GLU  74   4.595  -4.537   3.149
  348   2HG   GLU  74          2HG       GLU  74   5.830  -4.159   1.949
  349    H    PHE  75           H        PHE  75   3.585  -0.431   3.012
  350    HA   PHE  75           HA       PHE  75   4.370   1.901   4.620
  351   1HB   PHE  75          1HB       PHE  75   4.788   1.601   1.641
  352   2HB   PHE  75          2HB       PHE  75   4.968   3.112   2.527
  353    HD1  PHE  75           HD1      PHE  75   6.626   0.253   1.326
  354    HD2  PHE  75           HD2      PHE  75   6.634   3.052   4.529
  355    HE1  PHE  75           HE1      PHE  75   8.969  -0.319   1.818
  356    HE2  PHE  75           HE2      PHE  75   8.973   2.487   5.029
  357    HZ   PHE  75           HZ       PHE  75  10.144   0.797   3.670
  358    H    TYR  76           H        TYR  76   3.089   3.697   4.451
  359    HA   TYR  76           HA       TYR  76   0.718   3.590   2.769
  360   1HB   TYR  76          1HB       TYR  76  -0.733   4.192   4.752
  361   2HB   TYR  76          2HB       TYR  76  -0.144   2.536   4.736
  362    HD1  TYR  76           HD1      TYR  76   1.712   1.879   6.285
  363    HD2  TYR  76           HD2      TYR  76  -0.178   5.679   6.517
  364    HE1  TYR  76           HE1      TYR  76   2.622   2.188   8.549
  365    HE2  TYR  76           HE2      TYR  76   0.722   6.001   8.781
  366    HH   TYR  76           HH       TYR  76   3.148   3.972  10.096
  367    H    GLY  77           H        GLY  77   0.257   5.556   1.970
  368   1HA   GLY  77          1HA       GLY  77   1.934   7.777   2.840
  369   2HA   GLY  77          2HA       GLY  77   0.928   7.726   1.398
  370    H    LYS  78           H        LYS  78   1.000   8.260   4.844
  371    HA   LYS  78           HA       LYS  78  -0.538   9.004   6.346
  372   1HB   LYS  78          1HB       LYS  78  -1.425  11.223   5.854
  373   2HB   LYS  78          2HB       LYS  78   0.254  11.092   5.360
  374   1HG   LYS  78          1HG       LYS  78  -0.427  10.881   3.035
  375   2HG   LYS  78          2HG       LYS  78  -2.126  10.931   3.512
  376   1HD   LYS  78          1HD       LYS  78  -1.799  13.178   4.422
  377   2HD   LYS  78          2HD       LYS  78  -0.104  13.127   3.935
  378   1HE   LYS  78          1HE       LYS  78  -0.742  12.976   1.606
  379   2HE   LYS  78          2HE       LYS  78  -2.448  12.897   2.050
  380   1HZ   LYS  78          1HZ       LYS  78  -1.864  15.121   1.351
  381   2HZ   LYS  78          2HZ       LYS  78  -0.622  15.200   2.507
  382   3HZ   LYS  78          3HZ       LYS  78  -2.243  15.123   3.008
  383    H    PHE  79           H        PHE  79  -1.603   6.839   5.364
  384    HA   PHE  79           HA       PHE  79  -3.771   6.881   3.680
  385   1HB   PHE  79          1HB       PHE  79  -2.581   4.847   4.601
  386   2HB   PHE  79          2HB       PHE  79  -3.558   5.029   6.055
  387    HD1  PHE  79           HD1      PHE  79  -5.736   4.134   6.148
  388    HD2  PHE  79           HD2      PHE  79  -3.771   4.545   2.399
  389    HE1  PHE  79           HE1      PHE  79  -7.547   2.865   5.061
  390    HE2  PHE  79           HE2      PHE  79  -5.570   3.280   1.309
  391    HZ   PHE  79           HZ       PHE  79  -7.460   2.440   2.632
  392    H    LYS  80           H        LYS  80  -3.673   7.677   7.094
  393    HA   LYS  80           HA       LYS  80  -6.463   7.437   7.581
  394   1HB   LYS  80          1HB       LYS  80  -4.816   7.389   9.404
  395   2HB   LYS  80          2HB       LYS  80  -4.387   9.062   9.066
  396   1HG   LYS  80          1HG       LYS  80  -6.616   9.785   9.691
  397   2HG   LYS  80          2HG       LYS  80  -7.101   8.110   9.960
  398   1HD   LYS  80          1HD       LYS  80  -5.458   7.908  11.748
  399   2HD   LYS  80          2HD       LYS  80  -4.933   9.569  11.466
  400   1HE   LYS  80          1HE       LYS  80  -6.445   9.427  13.375
  401   2HE   LYS  80          2HE       LYS  80  -7.143  10.388  12.072
  402   1HZ   LYS  80          1HZ       LYS  80  -8.675   8.764  13.176
  403   2HZ   LYS  80          2HZ       LYS  80  -7.771   7.517  12.469
  404   3HZ   LYS  80          3HZ       LYS  80  -8.587   8.633  11.489
  405    H    GLU  81           H        GLU  81  -4.367  10.088   6.617
  406    HA   GLU  81           HA       GLU  81  -6.507  12.031   6.645
  407   1HB   GLU  81          1HB       GLU  81  -4.111  12.635   7.098
  408   2HB   GLU  81          2HB       GLU  81  -3.741  12.246   5.424
  409   1HG   GLU  81          1HG       GLU  81  -5.445  13.980   4.766
  410   2HG   GLU  81          2HG       GLU  81  -5.484  14.461   6.462
  411    H    GLY  82           H        GLY  82  -4.930   9.895   4.419
  412   1HA   GLY  82          1HA       GLY  82  -5.658  11.002   2.000
  413   2HA   GLY  82          2HA       GLY  82  -5.335   9.311   2.283
  414    H    VAL  83           H        VAL  83  -7.281   8.700   4.069
  415    HA   VAL  83           HA       VAL  83  -9.495   8.162   2.387
  416    HB   VAL  83           HB       VAL  83  -9.208   8.160   5.247
  417   1HG1  VAL  83          1HG1      VAL  83 -11.278   6.901   3.437
  418   2HG1  VAL  83          2HG1      VAL  83 -11.563   8.209   4.584
  419   3HG1  VAL  83          3HG1      VAL  83 -11.115   6.607   5.168
  420   1HG2  VAL  83          1HG2      VAL  83  -8.868   5.753   4.871
  421   2HG2  VAL  83          2HG2      VAL  83  -7.595   6.749   4.164
  422   3HG2  VAL  83          3HG2      VAL  83  -8.846   6.054   3.133
  423    H    ALA  84           H        ALA  84  -9.029  10.462   5.067
  424    HA   ALA  84           HA       ALA  84 -11.776  11.313   4.925
  425   1HB   ALA  84          1HB       ALA  84 -10.625  11.140   7.092
  426   2HB   ALA  84          2HB       ALA  84 -11.242  12.766   6.800
  427   3HB   ALA  84          3HB       ALA  84  -9.525  12.425   6.594
  428    H    SER  85           H        SER  85  -8.714  12.404   3.746
  429    HA   SER  85           HA       SER  85  -9.505  15.020   3.006
  430   1HB   SER  85          1HB       SER  85  -7.142  14.237   2.976
  431   2HB   SER  85          2HB       SER  85  -7.522  13.209   1.597
  432    HG   SER  85           HG       SER  85  -7.998  16.002   1.542
  433    H    GLY  86           H        GLY  86  -9.976  11.869   1.564
  434   1HA   GLY  86          1HA       GLY  86 -11.679  11.256   0.102
  435   2HA   GLY  86          2HA       GLY  86 -12.073  12.955  -0.120
  436    H    ASN  87           H        ASN  87  -8.787  12.157  -0.414
  437    HA   ASN  87           HA       ASN  87  -8.806  11.488  -3.174
  438   1HB   ASN  87          1HB       ASN  87  -7.778  13.519  -4.087
  439   2HB   ASN  87          2HB       ASN  87  -9.371  13.861  -3.430
  440   1HD2  ASN  87          1HD2      ASN  87  -9.539  15.098  -1.530
  441   2HD2  ASN  87          2HD2      ASN  87  -8.224  16.072  -0.966
  442    H    LEU  88           H        LEU  88  -7.690  10.055  -1.362
  443    HA   LEU  88           HA       LEU  88  -5.004  10.573  -0.754
  444   1HB   LEU  88          1HB       LEU  88  -6.710   8.665  -0.041
  445   2HB   LEU  88          2HB       LEU  88  -5.845   7.789  -1.292
  446    HG   LEU  88           HG       LEU  88  -4.583   9.166   1.018
  447   1HD1  LEU  88          1HD1      LEU  88  -5.234   6.254   0.629
  448   2HD1  LEU  88          2HD1      LEU  88  -5.913   7.339   1.844
  449   3HD1  LEU  88          3HD1      LEU  88  -4.211   6.884   1.919
  450   1HD2  LEU  88          1HD2      LEU  88  -3.424   7.219  -0.961
  451   2HD2  LEU  88          2HD2      LEU  88  -2.578   7.883   0.438
  452   3HD2  LEU  88          3HD2      LEU  88  -3.080   8.946  -0.878
  453    H    ASN  89           H        ASN  89  -4.288  11.504  -2.759
  454    HA   ASN  89           HA       ASN  89  -3.038   9.442  -4.395
  455   1HB   ASN  89          1HB       ASN  89  -4.931   9.999  -5.758
  456   2HB   ASN  89          2HB       ASN  89  -4.733  11.713  -5.443
  457   1HD2  ASN  89          1HD2      ASN  89  -4.606  12.317  -7.546
  458   2HD2  ASN  89          2HD2      ASN  89  -3.270  11.921  -8.580
  459    H    THR  90           H        THR  90  -1.013   9.860  -3.584
  460    HA   THR  90           HA       THR  90   0.218  12.371  -4.387
  461    HB   THR  90           HB       THR  90   0.461  11.419  -1.683
  462    HG1  THR  90           HG1      THR  90  -1.552  12.902  -2.891
  463   1HG2  THR  90          1HG2      THR  90   2.262  12.823  -2.522
  464   2HG2  THR  90          2HG2      THR  90   1.287  13.686  -1.331
  465   3HG2  THR  90          3HG2      THR  90   1.088  14.027  -3.051
  466    H    MET  91           H        MET  91   2.488  12.197  -4.533
  467    HA   MET  91           HA       MET  91   3.583   9.531  -3.974
  468   1HB   MET  91          1HB       MET  91   5.590  10.285  -5.224
  469   2HB   MET  91          2HB       MET  91   4.127  10.302  -6.193
  470   1HG   MET  91          1HG       MET  91   4.002  12.648  -6.154
  471   2HG   MET  91          2HG       MET  91   5.173  12.767  -4.842
  472   1HE   MET  91          1HE       MET  91   7.720  12.486  -5.083
  473   2HE   MET  91          2HE       MET  91   8.544  11.971  -6.555
  474   3HE   MET  91          3HE       MET  91   7.514  10.840  -5.679
  475    H    PHE  92           H        PHE  92   4.476   9.235  -2.093
  476    HA   PHE  92           HA       PHE  92   5.687  11.548  -0.728
  477   1HB   PHE  92          1HB       PHE  92   3.675  10.628   0.398
  478   2HB   PHE  92          2HB       PHE  92   4.474   9.065   0.508
  479    HD1  PHE  92           HD1      PHE  92   4.685  12.588   1.615
  480    HD2  PHE  92           HD2      PHE  92   5.915   8.572   2.291
  481    HE1  PHE  92           HE1      PHE  92   5.650  13.251   3.781
  482    HE2  PHE  92           HE2      PHE  92   6.884   9.227   4.452
  483    HZ   PHE  92           HZ       PHE  92   6.752  11.567   5.199
  484    H    GLU  93           H        GLU  93   7.840  11.432  -0.948
  485    HA   GLU  93           HA       GLU  93   9.076   8.778  -0.825
  486   1HB   GLU  93          1HB       GLU  93  11.102   9.919  -1.772
  487   2HB   GLU  93          2HB       GLU  93   9.705   9.897  -2.836
  488   1HG   GLU  93          1HG       GLU  93   9.220  12.213  -2.266
  489   2HG   GLU  93          2HG       GLU  93  10.597  12.238  -1.162
  490    H    TYR  94           H        TYR  94   9.883   8.201   1.040
  491    HA   TYR  94           HA       TYR  94  10.704  10.290   2.947
  492   1HB   TYR  94          1HB       TYR  94   8.794   8.933   3.701
  493   2HB   TYR  94          2HB       TYR  94   9.742   7.467   3.482
  494    HD1  TYR  94           HD1      TYR  94  11.213   6.704   5.175
  495    HD2  TYR  94           HD2      TYR  94   9.480  10.577   5.481
  496    HE1  TYR  94           HE1      TYR  94  12.025   6.877   7.487
  497    HE2  TYR  94           HE2      TYR  94  10.290  10.761   7.796
  498    HH   TYR  94           HH       TYR  94  12.598   8.684   9.106
  499    H    THR  95           H        THR  95  12.726  10.251   3.780
  500    HA   THR  95           HA       THR  95  14.562   8.276   2.652
  501    HB   THR  95           HB       THR  95  15.089  10.635   4.203
  502    HG1  THR  95           HG1      THR  95  14.273  11.507   2.422
  503   1HG2  THR  95          1HG2      THR  95  16.766   8.929   2.373
  504   2HG2  THR  95          2HG2      THR  95  16.910   9.016   4.129
  505   3HG2  THR  95          3HG2      THR  95  17.275  10.430   3.142
  506    H    PHE  96           H        PHE  96  14.786   6.517   3.882
  507    HA   PHE  96           HA       PHE  96  14.533   6.614   6.736
  508   1HB   PHE  96          1HB       PHE  96  15.217   4.442   4.779
  509   2HB   PHE  96          2HB       PHE  96  15.419   4.189   6.510
  510    HD1  PHE  96           HD1      PHE  96  13.475   4.131   7.994
  511    HD2  PHE  96           HD2      PHE  96  13.043   4.590   3.784
  512    HE1  PHE  96           HE1      PHE  96  11.091   3.553   8.175
  513    HE2  PHE  96           HE2      PHE  96  10.657   4.015   3.961
  514    HZ   PHE  96           HZ       PHE  96   9.676   3.514   6.201
  515    H    ASP  97           H        ASP  97  16.157   8.267   7.057
  516    HA   ASP  97           HA       ASP  97  18.874   7.163   7.175
  517   1HB   ASP  97          1HB       ASP  97  18.609   9.457   6.249
  518   2HB   ASP  97          2HB       ASP  97  17.923   9.975   7.787
  519    H    TYR  98           H        TYR  98  19.670   6.442   9.079
  520    HA   TYR  98           HA       TYR  98  18.273   6.961  11.564
  521   1HB   TYR  98          1HB       TYR  98  16.871   5.329  10.175
  522   2HB   TYR  98          2HB       TYR  98  18.176   4.175  10.394
  523    HD1  TYR  98           HD1      TYR  98  18.242   2.814  12.288
  524    HD2  TYR  98           HD2      TYR  98  15.727   6.247  12.278
  525    HE1  TYR  98           HE1      TYR  98  17.284   2.113  14.440
  526    HE2  TYR  98           HE2      TYR  98  14.755   5.548  14.427
  527    HH   TYR  98           HH       TYR  98  16.165   3.094  16.341
  528    H    GLN  99           H        GLN  99  20.015   4.210  10.192
  529    HA   GLN  99           HA       GLN  99  22.473   4.824  11.546
  530   1HB   GLN  99          1HB       GLN  99  20.995   3.768  13.324
  531   2HB   GLN  99          2HB       GLN  99  21.000   2.303  12.354
  532   1HG   GLN  99          1HG       GLN  99  22.626   2.090  14.099
  533   2HG   GLN  99          2HG       GLN  99  23.456   2.219  12.551
  534   1HE2  GLN  99          1HE2      GLN  99  25.356   2.920  13.439
  535   2HE2  GLN  99          2HE2      GLN  99  25.543   4.491  14.152
  536    H    MET 100           H        MET 100  21.563   4.493   8.900
  537    HA   MET 100           HA       MET 100  23.192   2.297   7.923
  538   1HB   MET 100          1HB       MET 100  20.822   1.425   8.393
  539   2HB   MET 100          2HB       MET 100  20.284   2.478   7.096
  540   1HG   MET 100          1HG       MET 100  21.735   1.275   5.530
  541   2HG   MET 100          2HG       MET 100  22.245   0.210   6.840
  542   1HE   MET 100          1HE       MET 100  20.982  -0.752   4.012
  543   2HE   MET 100          2HE       MET 100  19.969  -2.075   4.590
  544   3HE   MET 100          3HE       MET 100  21.581  -1.838   5.264
  545    H    THR 101           H        THR 101  22.269   2.454   5.215
  546    HA   THR 101           HA       THR 101  23.185   5.080   4.494
  547    HB   THR 101           HB       THR 101  22.382   4.179   2.316
  548    HG1  THR 101           HG1      THR 101  22.785   1.827   2.497
  549   1HG2  THR 101          1HG2      THR 101  24.611   3.159   2.119
  550   2HG2  THR 101          2HG2      THR 101  24.804   3.296   3.867
  551   3HG2  THR 101          3HG2      THR 101  24.656   4.749   2.879
  552    HA   PRO 102           HA       PRO 102  19.313   7.138   4.137
  553   1HB   PRO 102          1HB       PRO 102  20.182   8.259   1.545
  554   2HB   PRO 102          2HB       PRO 102  19.745   9.091   3.041
  555   1HG   PRO 102          1HG       PRO 102  22.291   8.940   2.221
  556   2HG   PRO 102          2HG       PRO 102  21.863   8.872   3.941
  557   1HD   PRO 102          1HD       PRO 102  22.621   6.651   2.082
  558   2HD   PRO 102          2HD       PRO 102  23.063   6.898   3.786
  559    H    THR 103           H        THR 103  17.936   5.397   3.773
  560    HA   THR 103           HA       THR 103  17.610   4.434   1.047
  561    HB   THR 103           HB       THR 103  16.134   3.785   3.419
  562    HG1  THR 103           HG1      THR 103  18.609   3.584   3.339
  563   1HG2  THR 103          1HG2      THR 103  15.105   3.059   1.349
  564   2HG2  THR 103          2HG2      THR 103  15.817   1.681   2.189
  565   3HG2  THR 103          3HG2      THR 103  16.640   2.386   0.798
  566    H    LYS 104           H        LYS 104  16.598   6.027  -0.101
  567    HA   LYS 104           HA       LYS 104  14.198   7.288   0.912
  568   1HB   LYS 104          1HB       LYS 104  15.705   8.600  -0.493
  569   2HB   LYS 104          2HB       LYS 104  15.523   7.444  -1.806
  570   1HG   LYS 104          1HG       LYS 104  13.012   8.013  -1.667
  571   2HG   LYS 104          2HG       LYS 104  13.539   9.425  -0.749
  572   1HD   LYS 104          1HD       LYS 104  14.550   8.703  -3.498
  573   2HD   LYS 104          2HD       LYS 104  13.235   9.836  -3.189
  574   1HE   LYS 104          1HE       LYS 104  16.024  10.143  -2.091
  575   2HE   LYS 104          2HE       LYS 104  15.457  10.902  -3.576
  576   1HZ   LYS 104          1HZ       LYS 104  15.302  12.442  -1.752
  577   2HZ   LYS 104          2HZ       LYS 104  14.368  11.354  -0.852
  578   3HZ   LYS 104          3HZ       LYS 104  13.735  12.033  -2.270
  579    H    VAL 105           H        VAL 105  12.349   6.172   0.920
  580    HA   VAL 105           HA       VAL 105  11.787   4.425  -1.351
  581    HB   VAL 105           HB       VAL 105   9.940   3.749  -0.199
  582   1HG1  VAL 105          1HG1      VAL 105  11.230   2.470   1.483
  583   2HG1  VAL 105          2HG1      VAL 105  12.608   3.535   1.194
  584   3HG1  VAL 105          3HG1      VAL 105  12.006   2.501  -0.101
  585   1HG2  VAL 105          1HG2      VAL 105   9.760   4.257   2.193
  586   2HG2  VAL 105          2HG2      VAL 105   9.489   5.674   1.180
  587   3HG2  VAL 105          3HG2      VAL 105  11.029   5.471   2.015
  588    H    LYS 106           H        LYS 106   9.665   4.514  -2.312
  589    HA   LYS 106           HA       LYS 106   8.495   7.209  -2.166
  590   1HB   LYS 106          1HB       LYS 106   9.068   5.599  -4.647
  591   2HB   LYS 106          2HB       LYS 106   7.993   6.985  -4.632
  592   1HG   LYS 106          1HG       LYS 106  10.031   8.253  -3.661
  593   2HG   LYS 106          2HG       LYS 106  10.962   6.895  -4.301
  594   1HD   LYS 106          1HD       LYS 106   9.996   7.285  -6.520
  595   2HD   LYS 106          2HD       LYS 106   9.067   8.641  -5.882
  596   1HE   LYS 106          1HE       LYS 106  10.904   9.659  -6.879
  597   2HE   LYS 106          2HE       LYS 106  11.346   9.592  -5.172
  598   1HZ   LYS 106          1HZ       LYS 106  12.742   7.712  -5.599
  599   2HZ   LYS 106          2HZ       LYS 106  13.141   8.919  -6.709
  600   3HZ   LYS 106          3HZ       LYS 106  12.204   7.598  -7.199
  601    H    VAL 107           H        VAL 107   6.452   7.163  -1.590
  602    HA   VAL 107           HA       VAL 107   4.860   4.759  -2.221
  603    HB   VAL 107           HB       VAL 107   3.867   7.015  -0.786
  604   1HG1  VAL 107          1HG1      VAL 107   2.379   5.218  -1.433
  605   2HG1  VAL 107          2HG1      VAL 107   2.622   5.203   0.314
  606   3HG1  VAL 107          3HG1      VAL 107   3.455   4.026  -0.702
  607   1HG2  VAL 107          1HG2      VAL 107   5.663   4.877   0.371
  608   2HG2  VAL 107          2HG2      VAL 107   4.713   6.041   1.294
  609   3HG2  VAL 107          3HG2      VAL 107   6.032   6.599   0.264
  610    H    HIS 108           H        HIS 108   4.189   5.073  -4.331
  611    HA   HIS 108           HA       HIS 108   2.731   7.577  -4.810
  612   1HB   HIS 108          1HB       HIS 108   4.232   6.445  -6.611
  613   2HB   HIS 108          2HB       HIS 108   2.910   5.294  -6.777
  614    HD1  HIS 108           HD1      HIS 108   3.993   7.616  -8.834
  615    HD2  HIS 108           HD2      HIS 108   0.451   7.554  -6.653
  616    HE1  HIS 108           HE1      HIS 108   2.412   9.128 -10.063
  617    HE2  HIS 108           HE2      HIS 108   0.340   9.223  -8.631
  618    H    MET 109           H        MET 109   0.899   7.542  -3.774
  619    HA   MET 109           HA       MET 109  -0.685   5.058  -3.801
  620   1HB   MET 109          1HB       MET 109   0.429   5.913  -1.586
  621   2HB   MET 109          2HB       MET 109  -0.852   7.116  -1.608
  622   1HG   MET 109          1HG       MET 109  -2.530   5.460  -1.428
  623   2HG   MET 109          2HG       MET 109  -1.377   4.163  -1.736
  624   1HE   MET 109          1HE       MET 109  -3.206   3.648   0.581
  625   2HE   MET 109          2HE       MET 109  -2.105   3.251   1.899
  626   3HE   MET 109          3HE       MET 109  -1.777   2.661   0.268
  627    H    LYS 110           H        LYS 110  -2.569   5.318  -4.911
  628    HA   LYS 110           HA       LYS 110  -3.568   8.058  -5.159
  629   1HB   LYS 110          1HB       LYS 110  -3.736   7.924  -7.564
  630   2HB   LYS 110          2HB       LYS 110  -2.069   7.650  -7.087
  631   1HG   LYS 110          1HG       LYS 110  -2.392   5.236  -7.401
  632   2HG   LYS 110          2HG       LYS 110  -4.053   5.539  -7.916
  633   1HD   LYS 110          1HD       LYS 110  -3.184   6.956  -9.752
  634   2HD   LYS 110          2HD       LYS 110  -1.543   6.529  -9.267
  635   1HE   LYS 110          1HE       LYS 110  -2.119   4.142  -9.641
  636   2HE   LYS 110          2HE       LYS 110  -3.684   4.658 -10.264
  637   1HZ   LYS 110          1HZ       LYS 110  -1.038   5.387 -11.404
  638   2HZ   LYS 110          2HZ       LYS 110  -2.539   5.901 -12.001
  639   3HZ   LYS 110          3HZ       LYS 110  -2.120   4.261 -12.059
  640    H    LYS 111           H        LYS 111  -5.701   8.200  -5.061
  641    HA   LYS 111           HA       LYS 111  -7.362   6.110  -4.530
  642   1HB   LYS 111          1HB       LYS 111  -7.873   8.395  -4.080
  643   2HB   LYS 111          2HB       LYS 111  -7.872   8.781  -5.790
  644   1HG   LYS 111          1HG       LYS 111  -9.846   7.377  -6.118
  645   2HG   LYS 111          2HG       LYS 111  -9.847   6.980  -4.396
  646   1HD   LYS 111          1HD       LYS 111 -10.219   9.297  -3.823
  647   2HD   LYS 111          2HD       LYS 111 -10.089   9.767  -5.521
  648   1HE   LYS 111          1HE       LYS 111 -12.418   9.687  -4.893
  649   2HE   LYS 111          2HE       LYS 111 -12.081   8.365  -6.008
  650   1HZ   LYS 111          1HZ       LYS 111 -13.453   7.627  -4.161
  651   2HZ   LYS 111          2HZ       LYS 111 -12.282   8.135  -3.049
  652   3HZ   LYS 111          3HZ       LYS 111 -11.944   6.860  -4.111
  653    H    ALA 112           H        ALA 112  -7.889   4.448  -5.700
  654    HA   ALA 112           HA       ALA 112  -7.230   4.107  -8.396
  655   1HB   ALA 112          1HB       ALA 112  -9.171   2.547  -6.691
  656   2HB   ALA 112          2HB       ALA 112  -7.441   2.241  -6.851
  657   3HB   ALA 112          3HB       ALA 112  -8.508   2.018  -8.237
  658    H    LEU 113           H        LEU 113  -8.485   4.092 -10.257
  659    HA   LEU 113           HA       LEU 113 -10.660   5.901 -10.366
  660   1HB   LEU 113          1HB       LEU 113  -9.555   3.938 -12.363
  661   2HB   LEU 113          2HB       LEU 113 -10.923   4.968 -12.721
  662    HG   LEU 113           HG       LEU 113  -9.011   5.987 -13.676
  663   1HD1  LEU 113          1HD1      LEU 113 -10.560   7.525 -12.607
  664   2HD1  LEU 113          2HD1      LEU 113  -8.906   8.129 -12.526
  665   3HD1  LEU 113          3HD1      LEU 113  -9.651   7.408 -11.100
  666   1HD2  LEU 113          1HD2      LEU 113  -7.672   5.759 -10.984
  667   2HD2  LEU 113          2HD2      LEU 113  -7.012   6.581 -12.397
  668   3HD2  LEU 113          3HD2      LEU 113  -7.269   4.836 -12.434
  669    H    SER 114           H        SER 114 -10.459   2.618  -9.548
  670    HA   SER 114           HA       SER 114 -13.015   1.696 -10.216
  671   1HB   SER 114          1HB       SER 114 -11.363   1.014  -7.767
  672   2HB   SER 114          2HB       SER 114 -12.669   0.042  -8.446
  673    HG   SER 114           HG       SER 114 -11.430  -0.363 -10.244
  674    H    GLY 115           H        GLY 115 -11.865   3.794  -7.645
  675   1HA   GLY 115          1HA       GLY 115 -13.688   5.426  -7.028
  676   2HA   GLY 115          2HA       GLY 115 -14.639   3.997  -6.660
  677    H    ASP 116           H        ASP 116 -14.245   2.844  -4.784
  678    HA   ASP 116           HA       ASP 116 -13.150   4.565  -2.706
  679   1HB   ASP 116          1HB       ASP 116 -14.725   1.994  -2.447
  680   2HB   ASP 116          2HB       ASP 116 -14.376   3.139  -1.154
  681    H    SER 117           H        SER 117 -11.103   3.642  -4.085
  682    HA   SER 117           HA       SER 117  -9.753   1.855  -2.248
  683   1HB   SER 117          1HB       SER 117  -8.854   0.614  -4.338
  684   2HB   SER 117          2HB       SER 117 -10.430   0.184  -3.690
  685    HG   SER 117           HG       SER 117 -11.302   1.687  -5.278
  686    H    TYR 118           H        TYR 118  -7.423   1.867  -2.589
  687    HA   TYR 118           HA       TYR 118  -6.422   4.128  -4.184
  688   1HB   TYR 118          1HB       TYR 118  -5.572   3.660  -1.312
  689   2HB   TYR 118          2HB       TYR 118  -5.149   5.017  -2.355
  690    HD1  TYR 118           HD1      TYR 118  -7.491   3.702  -0.016
  691    HD2  TYR 118           HD2      TYR 118  -6.921   6.650  -2.997
  692    HE1  TYR 118           HE1      TYR 118  -9.402   4.970   0.895
  693    HE2  TYR 118           HE2      TYR 118  -8.842   7.935  -2.113
  694    HH   TYR 118           HH       TYR 118 -10.846   7.562  -0.769
  695    H    TRP 119           H        TRP 119  -4.421   3.763  -5.126
  696    HA   TRP 119           HA       TRP 119  -3.414   1.055  -4.942
  697   1HB   TRP 119          1HB       TRP 119  -2.657   3.434  -6.636
  698   2HB   TRP 119          2HB       TRP 119  -1.794   1.889  -6.696
  699    HD1  TRP 119           HD1      TRP 119  -5.425   3.181  -7.228
  700    HE1  TRP 119           HE1      TRP 119  -6.458   1.747  -9.127
  701    HE3  TRP 119           HE3      TRP 119  -1.511   0.036  -8.091
  702    HZ2  TRP 119           HZ2      TRP 119  -5.681  -0.445 -10.750
  703    HZ3  TRP 119           HZ3      TRP 119  -1.706  -1.668  -9.810
  704    HH2  TRP 119           HH2      TRP 119  -3.749  -1.915 -11.138
  705    H    VAL 120           H        VAL 120  -1.150   0.659  -4.784
  706    HA   VAL 120           HA       VAL 120   0.403   2.602  -3.214
  707    HB   VAL 120           HB       VAL 120   0.230  -0.241  -2.802
  708   1HG1  VAL 120          1HG1      VAL 120   1.657   1.955  -1.297
  709   2HG1  VAL 120          2HG1      VAL 120   2.428   0.751  -2.329
  710   3HG1  VAL 120          3HG1      VAL 120   1.608   0.249  -0.850
  711   1HG2  VAL 120          1HG2      VAL 120  -1.819   0.868  -2.093
  712   2HG2  VAL 120          2HG2      VAL 120  -0.871   2.019  -1.151
  713   3HG2  VAL 120          3HG2      VAL 120  -0.870   0.309  -0.718
  714    H    PHE 121           H        PHE 121   1.773   3.079  -4.916
  715    HA   PHE 121           HA       PHE 121   3.269   0.820  -6.093
  716   1HB   PHE 121          1HB       PHE 121   3.338   3.736  -6.869
  717   2HB   PHE 121          2HB       PHE 121   4.126   2.420  -7.712
  718    HD1  PHE 121           HD1      PHE 121   0.959   4.109  -7.065
  719    HD2  PHE 121           HD2      PHE 121   2.875   0.922  -9.131
  720    HE1  PHE 121           HE1      PHE 121  -1.039   3.819  -8.468
  721    HE2  PHE 121           HE2      PHE 121   0.882   0.634 -10.543
  722    HZ   PHE 121           HZ       PHE 121  -1.031   2.138 -10.289
  723    H    VAL 122           H        VAL 122   4.897   0.320  -4.695
  724    HA   VAL 122           HA       VAL 122   6.271   2.488  -3.312
  725    HB   VAL 122           HB       VAL 122   5.521   0.604  -2.211
  726   1HG1  VAL 122          1HG1      VAL 122   5.943  -1.113  -3.869
  727   2HG1  VAL 122          2HG1      VAL 122   6.806  -1.468  -2.371
  728   3HG1  VAL 122          3HG1      VAL 122   7.679  -0.814  -3.757
  729   1HG2  VAL 122          1HG2      VAL 122   8.480   1.096  -2.159
  730   2HG2  VAL 122          2HG2      VAL 122   7.527   0.345  -0.879
  731   3HG2  VAL 122          3HG2      VAL 122   7.249   2.033  -1.311
  732    H    LYS 123           H        LYS 123   8.483   2.859  -3.453
  733    HA   LYS 123           HA       LYS 123  10.092   1.316  -5.301
  734   1HB   LYS 123          1HB       LYS 123   9.341   4.178  -5.764
  735   2HB   LYS 123          2HB       LYS 123  10.934   3.615  -6.236
  736   1HG   LYS 123          1HG       LYS 123   9.734   1.809  -7.561
  737   2HG   LYS 123          2HG       LYS 123   8.265   2.748  -7.288
  738   1HD   LYS 123          1HD       LYS 123   9.273   3.320  -9.439
  739   2HD   LYS 123          2HD       LYS 123   9.318   4.700  -8.339
  740   1HE   LYS 123          1HE       LYS 123  11.659   4.177  -7.797
  741   2HE   LYS 123          2HE       LYS 123  11.604   2.814  -8.912
  742   1HZ   LYS 123          1HZ       LYS 123  11.266   5.673  -9.648
  743   2HZ   LYS 123          2HZ       LYS 123  11.196   4.368 -10.728
  744   3HZ   LYS 123          3HZ       LYS 123  12.646   4.736  -9.928
  745    H    ARG 124           H        ARG 124  12.327   1.831  -5.154
  746    HA   ARG 124           HA       ARG 124  13.056   3.521  -2.864
  747   1HB   ARG 124          1HB       ARG 124  15.061   2.047  -2.566
  748   2HB   ARG 124          2HB       ARG 124  13.530   1.276  -2.180
  749   1HG   ARG 124          1HG       ARG 124  13.556   0.169  -4.371
  750   2HG   ARG 124          2HG       ARG 124  15.118   0.916  -4.709
  751   1HD   ARG 124          1HD       ARG 124  15.385  -1.386  -3.934
  752   2HD   ARG 124          2HD       ARG 124  16.101  -0.239  -2.804
  753    HE   ARG 124           HE       ARG 124  13.723  -0.565  -1.692
  754   1HH1  ARG 124          1HH1      ARG 124  15.872  -2.968  -3.055
  755   2HH1  ARG 124          2HH1      ARG 124  15.348  -4.231  -1.977
  756   1HH2  ARG 124          1HH2      ARG 124  13.030  -2.211  -0.268
  757   2HH2  ARG 124          2HH2      ARG 124  13.722  -3.804  -0.397
  758    H    VAL 125           H        VAL 125  14.835   4.831  -3.139
  759    HA   VAL 125           HA       VAL 125  16.325   6.159  -4.217
  760    HB   VAL 125           HB       VAL 125  16.062   4.246  -6.349
  761   1HG1  VAL 125          1HG1      VAL 125  18.022   6.495  -5.891
  762   2HG1  VAL 125          2HG1      VAL 125  16.767   6.470  -7.129
  763   3HG1  VAL 125          3HG1      VAL 125  18.090   5.304  -7.191
  764   1HG2  VAL 125          1HG2      VAL 125  18.235   3.491  -5.521
  765   2HG2  VAL 125          2HG2      VAL 125  16.965   3.283  -4.315
  766   3HG2  VAL 125          3HG2      VAL 125  18.105   4.619  -4.172
  767    H2   HC4 169           H2       HC4 169  -8.303   3.820  16.897
  768    H3   HC4 169           H3       HC4 169  -8.027   5.058  18.657
  769    H2'  HC4 169           H2'      HC4 169  -7.432   5.632  20.933
  770    H3'  HC4 169           H3'      HC4 169  -6.047   5.398  22.943
  771    H5'  HC4 169           H5'      HC4 169  -4.646   1.643  21.507
  772    H6'  HC4 169           H6'      HC4 169  -5.906   1.975  19.435
  773   'HO4  HC4 169          'HO4      HC4 169  -3.674   3.013  23.309
  Start of MODEL   20
    1    H    LEU  26           H        LEU  26  14.079  -7.654  -8.206
    2    HA   LEU  26           HA       LEU  26  12.721  -7.088 -10.080
    3   1HB   LEU  26          1HB       LEU  26  12.285  -9.529 -10.637
    4   2HB   LEU  26          2HB       LEU  26  11.075  -9.522  -9.373
    5    HG   LEU  26           HG       LEU  26  10.913  -7.577 -11.661
    6   1HD1  LEU  26          1HD1      LEU  26  11.121  -9.785 -12.661
    7   2HD1  LEU  26          2HD1      LEU  26   9.476  -9.174 -12.830
    8   3HD1  LEU  26          3HD1      LEU  26   9.842 -10.395 -11.611
    9   1HD2  LEU  26          1HD2      LEU  26   9.456  -7.204  -9.725
   10   2HD2  LEU  26          2HD2      LEU  26   8.818  -8.841  -9.895
   11   3HD2  LEU  26          3HD2      LEU  26   8.532  -7.645 -11.160
   12    H    ALA  27           H        ALA  27  11.972  -5.325  -9.115
   13    HA   ALA  27           HA       ALA  27  10.403  -5.619  -6.656
   14   1HB   ALA  27          1HB       ALA  27  10.855  -3.241  -6.279
   15   2HB   ALA  27          2HB       ALA  27  11.737  -3.170  -7.806
   16   3HB   ALA  27          3HB       ALA  27  12.344  -4.164  -6.481
   17    H    PHE  28           H        PHE  28   8.434  -6.193  -7.594
   18    HA   PHE  28           HA       PHE  28   7.214  -4.442  -9.544
   19   1HB   PHE  28          1HB       PHE  28   6.889  -7.038  -9.231
   20   2HB   PHE  28          2HB       PHE  28   5.687  -6.541  -8.047
   21    HD1  PHE  28           HD1      PHE  28   6.093  -7.507 -11.337
   22    HD2  PHE  28           HD2      PHE  28   4.099  -4.569  -8.991
   23    HE1  PHE  28           HE1      PHE  28   4.450  -7.186 -13.138
   24    HE2  PHE  28           HE2      PHE  28   2.454  -4.242 -10.789
   25    HZ   PHE  28           HZ       PHE  28   2.622  -5.619 -12.874
   26    H    GLY  29           H        GLY  29   7.246  -2.489  -8.374
   27   1HA   GLY  29          1HA       GLY  29   5.904  -2.349  -5.807
   28   2HA   GLY  29          2HA       GLY  29   6.711  -1.029  -6.638
   29    H    ALA  30           H        ALA  30   3.906  -3.166  -7.262
   30    HA   ALA  30           HA       ALA  30   2.237  -0.768  -7.345
   31   1HB   ALA  30          1HB       ALA  30   2.926  -1.075  -9.670
   32   2HB   ALA  30          2HB       ALA  30   1.202  -1.395  -9.475
   33   3HB   ALA  30          3HB       ALA  30   2.335  -2.738  -9.638
   34    H    ILE  31           H        ILE  31   0.987  -1.344  -5.664
   35    HA   ILE  31           HA       ILE  31  -0.616  -3.775  -6.005
   36    HB   ILE  31           HB       ILE  31   0.880  -4.209  -4.462
   37   1HG1  ILE  31          1HG1      ILE  31  -1.838  -3.681  -3.342
   38   2HG1  ILE  31          2HG1      ILE  31  -1.249  -5.137  -4.136
   39   1HG2  ILE  31          1HG2      ILE  31  -0.035  -1.741  -3.005
   40   2HG2  ILE  31          2HG2      ILE  31   1.535  -1.963  -3.777
   41   3HG2  ILE  31          3HG2      ILE  31   1.093  -2.945  -2.380
   42   1HD1  ILE  31          1HD1      ILE  31  -1.381  -5.447  -1.739
   43   2HD1  ILE  31          2HD1      ILE  31  -0.301  -4.075  -1.490
   44   3HD1  ILE  31          3HD1      ILE  31   0.292  -5.529  -2.293
   45    H    GLN  32           H        GLN  32  -2.753  -3.626  -5.444
   46    HA   GLN  32           HA       GLN  32  -3.673  -0.873  -5.034
   47   1HB   GLN  32          1HB       GLN  32  -4.688  -1.148  -7.003
   48   2HB   GLN  32          2HB       GLN  32  -4.177  -2.826  -7.076
   49   1HG   GLN  32          1HG       GLN  32  -6.434  -3.009  -7.236
   50   2HG   GLN  32          2HG       GLN  32  -6.166  -3.232  -5.503
   51   1HE2  GLN  32          1HE2      GLN  32  -8.541  -2.301  -6.975
   52   2HE2  GLN  32          2HE2      GLN  32  -8.930  -0.750  -6.312
   53    H    LEU  33           H        LEU  33  -4.932  -0.486  -3.327
   54    HA   LEU  33           HA       LEU  33  -6.150  -2.806  -1.965
   55   1HB   LEU  33          1HB       LEU  33  -5.678  -1.678   0.209
   56   2HB   LEU  33          2HB       LEU  33  -4.266  -2.276  -0.633
   57    HG   LEU  33           HG       LEU  33  -3.981   0.148  -1.471
   58   1HD1  LEU  33          1HD1      LEU  33  -5.783   0.634   0.895
   59   2HD1  LEU  33          2HD1      LEU  33  -6.178   0.968  -0.791
   60   3HD1  LEU  33          3HD1      LEU  33  -4.883   1.862   0.003
   61   1HD2  LEU  33          1HD2      LEU  33  -2.741   0.740   0.538
   62   2HD2  LEU  33          2HD2      LEU  33  -2.505  -0.961   0.130
   63   3HD2  LEU  33          3HD2      LEU  33  -3.593  -0.510   1.445
   64    H    ASP  34           H        ASP  34  -7.976  -2.296  -0.612
   65    HA   ASP  34           HA       ASP  34  -9.700  -0.451  -2.013
   66   1HB   ASP  34          1HB       ASP  34 -11.494  -1.301  -0.553
   67   2HB   ASP  34          2HB       ASP  34 -10.629  -2.598  -1.364
   68    H    GLY  35           H        GLY  35 -10.986   1.136  -0.993
   69   1HA   GLY  35          1HA       GLY  35  -9.434   2.774   0.806
   70   2HA   GLY  35          2HA       GLY  35 -10.966   3.202   0.056
   71    H    ASP  36           H        ASP  36 -10.336   0.301   1.873
   72    HA   ASP  36           HA       ASP  36 -12.134   1.265   3.998
   73   1HB   ASP  36          1HB       ASP  36 -13.095  -0.446   2.377
   74   2HB   ASP  36          2HB       ASP  36 -11.931  -1.588   3.034
   75    H    GLY  37           H        GLY  37  -9.245  -0.443   3.091
   76   1HA   GLY  37          1HA       GLY  37  -7.475   0.061   4.831
   77   2HA   GLY  37          2HA       GLY  37  -8.577  -0.712   5.957
   78    H    ASN  38           H        ASN  38  -8.701  -2.241   2.949
   79    HA   ASN  38           HA       ASN  38  -6.696  -4.227   3.826
   80   1HB   ASN  38          1HB       ASN  38  -9.448  -4.792   2.706
   81   2HB   ASN  38          2HB       ASN  38  -8.213  -6.009   3.006
   82   1HD2  ASN  38          1HD2      ASN  38 -10.591  -3.944   4.383
   83   2HD2  ASN  38          2HD2      ASN  38 -10.498  -4.551   6.000
   84    H    ILE  39           H        ILE  39  -5.844  -5.578   2.133
   85    HA   ILE  39           HA       ILE  39  -5.330  -4.163  -0.275
   86    HB   ILE  39           HB       ILE  39  -5.020  -6.941   0.394
   87   1HG1  ILE  39          1HG1      ILE  39  -4.095  -5.244   1.993
   88   2HG1  ILE  39          2HG1      ILE  39  -2.954  -6.370   1.299
   89   1HG2  ILE  39          1HG2      ILE  39  -3.238  -6.837  -1.271
   90   2HG2  ILE  39          2HG2      ILE  39  -3.651  -5.159  -1.619
   91   3HG2  ILE  39          3HG2      ILE  39  -4.795  -6.447  -2.004
   92   1HD1  ILE  39          1HD1      ILE  39  -2.237  -4.620  -0.276
   93   2HD1  ILE  39          2HD1      ILE  39  -2.016  -4.141   1.407
   94   3HD1  ILE  39          3HD1      ILE  39  -3.374  -3.504   0.479
   95    H    LEU  40           H        LEU  40  -6.146  -4.521  -2.322
   96    HA   LEU  40           HA       LEU  40  -8.592  -6.154  -2.409
   97   1HB   LEU  40          1HB       LEU  40  -8.830  -3.686  -2.780
   98   2HB   LEU  40          2HB       LEU  40  -7.850  -3.857  -4.224
   99    HG   LEU  40           HG       LEU  40  -9.541  -5.289  -5.240
  100   1HD1  LEU  40          1HD1      LEU  40 -10.374  -6.351  -3.198
  101   2HD1  LEU  40          2HD1      LEU  40 -11.686  -5.677  -4.163
  102   3HD1  LEU  40          3HD1      LEU  40 -11.132  -4.831  -2.718
  103   1HD2  LEU  40          1HD2      LEU  40  -9.718  -2.891  -5.580
  104   2HD2  LEU  40          2HD2      LEU  40 -10.671  -2.733  -4.105
  105   3HD2  LEU  40          3HD2      LEU  40 -11.324  -3.616  -5.486
  106    H    GLN  41           H        GLN  41  -5.789  -5.148  -4.388
  107    HA   GLN  41           HA       GLN  41  -5.587  -7.861  -5.372
  108   1HB   GLN  41          1HB       GLN  41  -7.207  -6.686  -6.909
  109   2HB   GLN  41          2HB       GLN  41  -5.889  -5.616  -7.369
  110   1HG   GLN  41          1HG       GLN  41  -4.618  -7.514  -8.204
  111   2HG   GLN  41          2HG       GLN  41  -5.908  -8.608  -7.713
  112   1HE2  GLN  41          1HE2      GLN  41  -7.992  -6.681  -8.535
  113   2HE2  GLN  41          2HE2      GLN  41  -8.035  -6.768 -10.262
  114    H    TYR  42           H        TYR  42  -3.523  -8.286  -5.004
  115    HA   TYR  42           HA       TYR  42  -1.473  -6.255  -5.335
  116   1HB   TYR  42          1HB       TYR  42  -1.230  -7.761  -3.459
  117   2HB   TYR  42          2HB       TYR  42  -1.358  -9.165  -4.510
  118    HD1  TYR  42           HD1      TYR  42   0.589 -10.261  -5.039
  119    HD2  TYR  42           HD2      TYR  42   0.771  -6.103  -4.156
  120    HE1  TYR  42           HE1      TYR  42   3.035 -10.325  -5.266
  121    HE2  TYR  42           HE2      TYR  42   3.220  -6.155  -4.387
  122    HH   TYR  42           HH       TYR  42   5.043  -7.776  -4.254
  123    H    ASN  43           H        ASN  43  -0.200  -6.034  -7.089
  124    HA   ASN  43           HA       ASN  43  -0.746  -7.836  -9.327
  125   1HB   ASN  43          1HB       ASN  43   0.640  -5.144  -9.313
  126   2HB   ASN  43          2HB       ASN  43   0.277  -6.099 -10.746
  127   1HD2  ASN  43          1HD2      ASN  43  -0.942  -3.999  -8.324
  128   2HD2  ASN  43          2HD2      ASN  43  -2.527  -3.790  -8.986
  129    H    ALA  44           H        ALA  44   0.613  -9.413  -9.700
  130    HA   ALA  44           HA       ALA  44   3.486  -8.914  -9.372
  131   1HB   ALA  44          1HB       ALA  44   2.071 -11.460  -8.563
  132   2HB   ALA  44          2HB       ALA  44   2.731 -10.255  -7.457
  133   3HB   ALA  44          3HB       ALA  44   3.811 -11.174  -8.506
  134    H    ALA  45           H        ALA  45   4.723 -10.779 -10.557
  135    HA   ALA  45           HA       ALA  45   3.318 -11.241 -13.111
  136   1HB   ALA  45          1HB       ALA  45   6.260 -10.720 -12.708
  137   2HB   ALA  45          2HB       ALA  45   5.082  -9.548 -13.298
  138   3HB   ALA  45          3HB       ALA  45   5.448 -10.988 -14.251
  139    H    GLU  46           H        GLU  46   2.885 -13.295 -13.416
  140    HA   GLU  46           HA       GLU  46   3.072 -15.548 -13.593
  141   1HB   GLU  46          1HB       GLU  46   6.034 -14.958 -13.528
  142   2HB   GLU  46          2HB       GLU  46   5.298 -16.454 -14.086
  143   1HG   GLU  46          1HG       GLU  46   4.887 -13.741 -15.328
  144   2HG   GLU  46          2HG       GLU  46   5.974 -14.992 -15.932
  145    H    GLY  47           H        GLY  47   2.665 -14.609 -10.984
  146   1HA   GLY  47          1HA       GLY  47   4.405 -15.796  -9.090
  147   2HA   GLY  47          2HA       GLY  47   2.740 -15.317  -8.797
  148    H    ASP  48           H        ASP  48   1.174 -16.868 -10.126
  149    HA   ASP  48           HA       ASP  48   1.922 -19.599  -9.319
  150   1HB   ASP  48          1HB       ASP  48  -0.444 -20.067  -9.070
  151   2HB   ASP  48          2HB       ASP  48  -0.046 -18.624  -8.146
  152    H    ILE  49           H        ILE  49   1.401 -21.335 -10.661
  153    HA   ILE  49           HA       ILE  49   1.099 -20.584 -13.494
  154    HB   ILE  49           HB       ILE  49   1.744 -23.178 -12.457
  155   1HG1  ILE  49          1HG1      ILE  49   3.633 -20.913 -13.093
  156   2HG1  ILE  49          2HG1      ILE  49   3.295 -21.519 -11.475
  157   1HG2  ILE  49          1HG2      ILE  49   2.816 -23.330 -14.668
  158   2HG2  ILE  49          2HG2      ILE  49   2.253 -21.702 -15.043
  159   3HG2  ILE  49          3HG2      ILE  49   1.088 -23.004 -14.804
  160   1HD1  ILE  49          1HD1      ILE  49   4.208 -23.695 -12.109
  161   2HD1  ILE  49          2HD1      ILE  49   5.388 -22.401 -12.315
  162   3HD1  ILE  49          3HD1      ILE  49   4.561 -23.072 -13.721
  163    H    THR  50           H        THR  50  -1.186 -20.295 -12.293
  164    HA   THR  50           HA       THR  50  -3.390 -20.812 -12.390
  165    HB   THR  50           HB       THR  50  -2.682 -23.271 -13.684
  166    HG1  THR  50           HG1      THR  50  -1.735 -21.089 -14.485
  167   1HG2  THR  50          1HG2      THR  50  -5.036 -21.394 -13.826
  168   2HG2  THR  50          2HG2      THR  50  -5.017 -22.988 -13.073
  169   3HG2  THR  50          3HG2      THR  50  -4.810 -22.835 -14.818
  170    H    GLY  51           H        GLY  51  -4.980 -22.300 -11.381
  171   1HA   GLY  51          1HA       GLY  51  -5.379 -24.405 -10.236
  172   2HA   GLY  51          2HA       GLY  51  -3.710 -24.353  -9.692
  173    H    ARG  52           H        ARG  52  -3.811 -21.524  -8.996
  174    HA   ARG  52           HA       ARG  52  -5.013 -21.880  -6.375
  175   1HB   ARG  52          1HB       ARG  52  -3.307 -19.609  -7.421
  176   2HB   ARG  52          2HB       ARG  52  -3.800 -19.844  -5.750
  177   1HG   ARG  52          1HG       ARG  52  -2.577 -22.044  -5.815
  178   2HG   ARG  52          2HG       ARG  52  -1.917 -21.533  -7.370
  179   1HD   ARG  52          1HD       ARG  52  -0.314 -20.973  -5.702
  180   2HD   ARG  52          2HD       ARG  52  -1.069 -19.470  -6.232
  181    HE   ARG  52           HE       ARG  52  -2.024 -20.830  -3.799
  182   1HH1  ARG  52          1HH1      ARG  52  -0.630 -18.021  -5.371
  183   2HH1  ARG  52          2HH1      ARG  52  -0.738 -17.017  -3.958
  184   1HH2  ARG  52          1HH2      ARG  52  -2.128 -19.517  -1.918
  185   2HH2  ARG  52          2HH2      ARG  52  -1.581 -17.868  -2.000
  186    H    ASP  53           H        ASP  53  -6.202 -20.075  -5.383
  187    HA   ASP  53           HA       ASP  53  -8.352 -19.309  -7.163
  188   1HB   ASP  53          1HB       ASP  53  -8.001 -18.871  -4.186
  189   2HB   ASP  53          2HB       ASP  53  -9.467 -18.527  -5.097
  190    HA   PRO  54           HA       PRO  54  -6.897 -15.219  -7.997
  191   1HB   PRO  54          1HB       PRO  54  -9.751 -14.488  -8.209
  192   2HB   PRO  54          2HB       PRO  54  -8.473 -14.397  -9.425
  193   1HG   PRO  54          1HG       PRO  54 -10.404 -16.244  -9.573
  194   2HG   PRO  54          2HG       PRO  54  -8.737 -16.604 -10.062
  195   1HD   PRO  54          1HD       PRO  54 -10.174 -17.333  -7.538
  196   2HD   PRO  54          2HD       PRO  54  -9.050 -18.301  -8.515
  197    H    LYS  55           H        LYS  55  -9.471 -15.771  -5.667
  198    HA   LYS  55           HA       LYS  55  -9.256 -13.118  -4.534
  199   1HB   LYS  55          1HB       LYS  55 -10.863 -15.535  -3.690
  200   2HB   LYS  55          2HB       LYS  55 -10.971 -13.949  -2.937
  201   1HG   LYS  55          1HG       LYS  55 -11.778 -12.985  -5.005
  202   2HG   LYS  55          2HG       LYS  55 -11.597 -14.534  -5.828
  203   1HD   LYS  55          1HD       LYS  55 -13.922 -14.166  -5.212
  204   2HD   LYS  55          2HD       LYS  55 -13.251 -15.521  -4.305
  205   1HE   LYS  55          1HE       LYS  55 -12.910 -14.061  -2.375
  206   2HE   LYS  55          2HE       LYS  55 -13.576 -12.702  -3.281
  207   1HZ   LYS  55          1HZ       LYS  55 -15.682 -13.835  -3.416
  208   2HZ   LYS  55          2HZ       LYS  55 -15.206 -13.728  -1.790
  209   3HZ   LYS  55          3HZ       LYS  55 -15.052 -15.195  -2.625
  210    H    GLN  56           H        GLN  56  -6.846 -14.575  -4.446
  211    HA   GLN  56           HA       GLN  56  -6.490 -14.800  -1.532
  212   1HB   GLN  56          1HB       GLN  56  -6.482 -17.034  -2.724
  213   2HB   GLN  56          2HB       GLN  56  -5.035 -16.499  -3.567
  214   1HG   GLN  56          1HG       GLN  56  -4.397 -17.893  -1.738
  215   2HG   GLN  56          2HG       GLN  56  -3.912 -16.236  -1.381
  216   1HE2  GLN  56          1HE2      GLN  56  -7.198 -17.385  -1.152
  217   2HE2  GLN  56          2HE2      GLN  56  -7.326 -17.286   0.571
  218    H    VAL  57           H        VAL  57  -5.927 -12.870  -3.964
  219    HA   VAL  57           HA       VAL  57  -3.039 -12.614  -3.620
  220    HB   VAL  57           HB       VAL  57  -3.949 -12.828  -5.699
  221   1HG1  VAL  57          1HG1      VAL  57  -6.040 -11.667  -5.538
  222   2HG1  VAL  57          2HG1      VAL  57  -5.036 -10.879  -6.754
  223   3HG1  VAL  57          3HG1      VAL  57  -5.215 -10.156  -5.156
  224   1HG2  VAL  57          1HG2      VAL  57  -2.501 -10.277  -5.090
  225   2HG2  VAL  57          2HG2      VAL  57  -2.642 -11.009  -6.689
  226   3HG2  VAL  57          3HG2      VAL  57  -1.793 -11.862  -5.400
  227    H    ILE  58           H        ILE  58  -4.135 -11.875  -1.382
  228    HA   ILE  58           HA       ILE  58  -3.931  -8.952  -1.370
  229    HB   ILE  58           HB       ILE  58  -5.259  -8.844   0.448
  230   1HG1  ILE  58          1HG1      ILE  58  -4.872 -11.350   1.066
  231   2HG1  ILE  58          2HG1      ILE  58  -6.403 -10.576   1.441
  232   1HG2  ILE  58          1HG2      ILE  58  -7.368  -9.193  -0.741
  233   2HG2  ILE  58          2HG2      ILE  58  -6.519 -10.164  -1.944
  234   3HG2  ILE  58          3HG2      ILE  58  -6.145  -8.449  -1.770
  235   1HD1  ILE  58          1HD1      ILE  58  -5.872 -12.385  -0.908
  236   2HD1  ILE  58          2HD1      ILE  58  -7.409 -11.610  -0.532
  237   3HD1  ILE  58          3HD1      ILE  58  -6.733 -12.815   0.566
  238    H    GLY  59           H        GLY  59  -3.031  -8.081   0.518
  239   1HA   GLY  59          1HA       GLY  59  -1.338  -9.977   2.005
  240   2HA   GLY  59          2HA       GLY  59  -0.941  -8.286   1.726
  241    H    LYS  60           H        LYS  60  -3.794  -7.566   2.310
  242    HA   LYS  60           HA       LYS  60  -3.674  -7.818   5.232
  243   1HB   LYS  60          1HB       LYS  60  -3.226  -5.550   4.485
  244   2HB   LYS  60          2HB       LYS  60  -4.659  -5.573   3.465
  245   1HG   LYS  60          1HG       LYS  60  -5.350  -4.337   5.293
  246   2HG   LYS  60          2HG       LYS  60  -5.933  -5.953   5.693
  247   1HD   LYS  60          1HD       LYS  60  -3.335  -4.779   6.683
  248   2HD   LYS  60          2HD       LYS  60  -4.848  -4.763   7.585
  249   1HE   LYS  60          1HE       LYS  60  -4.873  -7.131   7.756
  250   2HE   LYS  60          2HE       LYS  60  -3.549  -7.289   6.603
  251   1HZ   LYS  60          1HZ       LYS  60  -2.037  -6.364   8.162
  252   2HZ   LYS  60          2HZ       LYS  60  -2.903  -7.577   8.971
  253   3HZ   LYS  60          3HZ       LYS  60  -3.280  -5.942   9.235
  254    H    ASN  61           H        ASN  61  -5.313  -8.978   6.047
  255    HA   ASN  61           HA       ASN  61  -7.968  -8.653   4.857
  256   1HB   ASN  61          1HB       ASN  61  -6.983 -10.826   4.067
  257   2HB   ASN  61          2HB       ASN  61  -6.893 -11.340   5.748
  258   1HD2  ASN  61          1HD2      ASN  61  -8.798 -11.798   6.867
  259   2HD2  ASN  61          2HD2      ASN  61 -10.299 -12.061   6.046
  260    H    PHE  62           H        PHE  62  -8.636  -7.352   6.504
  261    HA   PHE  62           HA       PHE  62  -9.142  -8.773   9.016
  262   1HB   PHE  62          1HB       PHE  62  -7.783  -6.158   8.679
  263   2HB   PHE  62          2HB       PHE  62  -8.975  -6.267   9.971
  264    HD1  PHE  62           HD1      PHE  62  -5.677  -6.233   9.575
  265    HD2  PHE  62           HD2      PHE  62  -8.652  -8.880  11.073
  266    HE1  PHE  62           HE1      PHE  62  -3.990  -7.312  11.002
  267    HE2  PHE  62           HE2      PHE  62  -6.970  -9.962  12.506
  268    HZ   PHE  62           HZ       PHE  62  -4.666  -9.138  12.537
  269    H    PHE  63           H        PHE  63 -11.199  -8.670   9.661
  270    HA   PHE  63           HA       PHE  63 -13.085  -7.020   8.212
  271   1HB   PHE  63          1HB       PHE  63 -14.771  -8.135   9.688
  272   2HB   PHE  63          2HB       PHE  63 -13.784  -9.271   8.777
  273    HD1  PHE  63           HD1      PHE  63 -14.655  -8.016  12.076
  274    HD2  PHE  63           HD2      PHE  63 -12.088 -10.623   9.907
  275    HE1  PHE  63           HE1      PHE  63 -14.053  -9.155  14.171
  276    HE2  PHE  63           HE2      PHE  63 -11.478 -11.769  11.996
  277    HZ   PHE  63           HZ       PHE  63 -12.458 -11.035  14.132
  278    H    LYS  64           H        LYS  64 -11.166  -6.839  10.982
  279    HA   LYS  64           HA       LYS  64 -12.293  -4.277  11.712
  280   1HB   LYS  64          1HB       LYS  64 -13.526  -6.047  13.048
  281   2HB   LYS  64          2HB       LYS  64 -11.988  -6.448  13.795
  282   1HG   LYS  64          1HG       LYS  64 -13.238  -5.034  15.270
  283   2HG   LYS  64          2HG       LYS  64 -11.848  -4.138  14.660
  284   1HD   LYS  64          1HD       LYS  64 -14.366  -3.887  13.128
  285   2HD   LYS  64          2HD       LYS  64 -14.331  -3.132  14.723
  286   1HE   LYS  64          1HE       LYS  64 -12.256  -2.678  12.585
  287   2HE   LYS  64          2HE       LYS  64 -13.649  -1.630  12.845
  288   1HZ   LYS  64          1HZ       LYS  64 -11.464  -0.972  13.936
  289   2HZ   LYS  64          2HZ       LYS  64 -11.754  -2.234  15.033
  290   3HZ   LYS  64          3HZ       LYS  64 -12.856  -0.952  14.909
  291    H    ASP  65           H        ASP  65 -10.635  -2.929  12.129
  292    HA   ASP  65           HA       ASP  65  -7.944  -3.881  12.130
  293   1HB   ASP  65          1HB       ASP  65  -7.287  -1.589  12.219
  294   2HB   ASP  65          2HB       ASP  65  -8.726  -1.652  11.205
  295    H    VAL  66           H        VAL  66  -6.364  -3.435  13.811
  296    HA   VAL  66           HA       VAL  66  -7.312  -2.672  16.396
  297    HB   VAL  66           HB       VAL  66  -7.847  -4.777  16.528
  298   1HG1  VAL  66          1HG1      VAL  66  -6.419  -5.642  14.671
  299   2HG1  VAL  66          2HG1      VAL  66  -6.444  -6.647  16.118
  300   3HG1  VAL  66          3HG1      VAL  66  -5.054  -5.618  15.790
  301   1HG2  VAL  66          1HG2      VAL  66  -5.264  -4.242  17.960
  302   2HG2  VAL  66          2HG2      VAL  66  -6.413  -5.513  18.376
  303   3HG2  VAL  66          3HG2      VAL  66  -6.891  -3.820  18.497
  304    H    ALA  67           H        ALA  67  -4.442  -4.236  14.885
  305    HA   ALA  67           HA       ALA  67  -2.213  -3.932  15.307
  306   1HB   ALA  67          1HB       ALA  67  -3.021  -1.074  14.806
  307   2HB   ALA  67          2HB       ALA  67  -2.763  -2.294  13.560
  308   3HB   ALA  67          3HB       ALA  67  -1.418  -1.771  14.574
  309    HA   PRO  68           HA       PRO  68  -2.857  -2.418  19.629
  310   1HB   PRO  68          1HB       PRO  68  -2.202  -4.656  20.963
  311   2HB   PRO  68          2HB       PRO  68  -3.797  -4.429  20.240
  312   1HG   PRO  68          1HG       PRO  68  -1.474  -6.019  19.244
  313   2HG   PRO  68          2HG       PRO  68  -3.203  -6.407  19.196
  314   1HD   PRO  68          1HD       PRO  68  -1.762  -5.397  17.069
  315   2HD   PRO  68          2HD       PRO  68  -3.520  -5.258  17.254
  316    H    CYS  69           H        CYS  69  -0.137  -4.261  18.339
  317    HA   CYS  69           HA       CYS  69   1.623  -2.983  20.330
  318   1HB   CYS  69          1HB       CYS  69   2.044  -5.588  18.856
  319   2HB   CYS  69          2HB       CYS  69   3.079  -4.921  20.113
  320    H    THR  70           H        THR  70   0.789  -2.664  17.188
  321    HA   THR  70           HA       THR  70   3.517  -1.962  16.381
  322    HB   THR  70           HB       THR  70   1.635  -3.283  14.669
  323    HG1  THR  70           HG1      THR  70   3.825  -4.443  16.083
  324   1HG2  THR  70          1HG2      THR  70   3.693  -3.768  13.421
  325   2HG2  THR  70          2HG2      THR  70   4.607  -2.794  14.573
  326   3HG2  THR  70          3HG2      THR  70   3.385  -2.037  13.550
  327    H    ASP  71           H        ASP  71   3.684  -0.296  14.892
  328    HA   ASP  71           HA       ASP  71   1.238   0.732  13.659
  329   1HB   ASP  71          1HB       ASP  71   1.759   3.016  14.113
  330   2HB   ASP  71          2HB       ASP  71   1.887   2.182  15.655
  331    H    SER  72           H        SER  72   1.731   2.001  11.709
  332    HA   SER  72           HA       SER  72   2.637   2.028   9.618
  333   1HB   SER  72          1HB       SER  72   5.325   1.889  10.993
  334   2HB   SER  72          2HB       SER  72   4.939   2.651   9.451
  335    HG   SER  72           HG       SER  72   4.270   3.489  12.070
  336    HA   PRO  73           HA       PRO  73   3.488  -2.589  10.174
  337   1HB   PRO  73          1HB       PRO  73   1.105  -2.980   8.506
  338   2HB   PRO  73          2HB       PRO  73   1.475  -3.642  10.099
  339   1HG   PRO  73          1HG       PRO  73  -0.422  -1.763   9.739
  340   2HG   PRO  73          2HG       PRO  73   0.568  -1.833  11.208
  341   1HD   PRO  73          1HD       PRO  73   0.840  -0.038   8.824
  342   2HD   PRO  73          2HD       PRO  73   0.998   0.350  10.551
  343    H    GLU  74           H        GLU  74   1.718  -1.903   7.178
  344    HA   GLU  74           HA       GLU  74   4.185  -2.370   5.673
  345   1HB   GLU  74          1HB       GLU  74   1.533  -3.652   4.971
  346   2HB   GLU  74          2HB       GLU  74   3.064  -3.874   4.132
  347   1HG   GLU  74          1HG       GLU  74   3.975  -4.866   6.245
  348   2HG   GLU  74          2HG       GLU  74   2.346  -4.793   6.907
  349    H    PHE  75           H        PHE  75   4.311  -0.200   5.239
  350    HA   PHE  75           HA       PHE  75   4.132   1.633   3.950
  351   1HB   PHE  75          1HB       PHE  75   2.301  -0.138   2.344
  352   2HB   PHE  75          2HB       PHE  75   2.673   1.519   1.874
  353    HD1  PHE  75           HD1      PHE  75   3.828  -1.893   1.954
  354    HD2  PHE  75           HD2      PHE  75   5.026   2.149   1.375
  355    HE1  PHE  75           HE1      PHE  75   5.892  -2.664   0.859
  356    HE2  PHE  75           HE2      PHE  75   7.092   1.387   0.278
  357    HZ   PHE  75           HZ       PHE  75   7.527  -1.026   0.018
  358    H    TYR  76           H        TYR  76   3.352   3.026   5.397
  359    HA   TYR  76           HA       TYR  76   0.455   3.583   5.237
  360   1HB   TYR  76          1HB       TYR  76   1.109   2.864   7.503
  361   2HB   TYR  76          2HB       TYR  76   2.358   4.101   7.549
  362    HD1  TYR  76           HD1      TYR  76   1.713   6.498   7.709
  363    HD2  TYR  76           HD2      TYR  76  -1.175   3.385   7.983
  364    HE1  TYR  76           HE1      TYR  76   0.103   8.081   8.688
  365    HE2  TYR  76           HE2      TYR  76  -2.788   4.956   8.964
  366    HH   TYR  76           HH       TYR  76  -2.530   8.213   8.814
  367    H    GLY  77           H        GLY  77   0.119   5.384   3.985
  368   1HA   GLY  77          1HA       GLY  77   2.142   7.530   4.215
  369   2HA   GLY  77          2HA       GLY  77   1.488   7.040   2.656
  370    H    LYS  78           H        LYS  78   0.614   8.362   5.809
  371    HA   LYS  78           HA       LYS  78  -1.057   9.761   6.491
  372   1HB   LYS  78          1HB       LYS  78   0.017  11.048   4.497
  373   2HB   LYS  78          2HB       LYS  78  -1.421  10.573   3.609
  374   1HG   LYS  78          1HG       LYS  78  -2.815  11.742   5.239
  375   2HG   LYS  78          2HG       LYS  78  -1.366  12.221   6.129
  376   1HD   LYS  78          1HD       LYS  78  -0.559  13.333   4.031
  377   2HD   LYS  78          2HD       LYS  78  -2.144  13.011   3.326
  378   1HE   LYS  78          1HE       LYS  78  -2.076  15.265   4.188
  379   2HE   LYS  78          2HE       LYS  78  -3.186  14.293   5.151
  380   1HZ   LYS  78          1HZ       LYS  78  -1.768  15.705   6.526
  381   2HZ   LYS  78          2HZ       LYS  78  -0.386  14.939   5.905
  382   3HZ   LYS  78          3HZ       LYS  78  -1.490  14.062   6.841
  383    H    PHE  79           H        PHE  79  -1.687   7.102   5.923
  384    HA   PHE  79           HA       PHE  79  -3.672   6.706   3.981
  385   1HB   PHE  79          1HB       PHE  79  -2.131   4.991   5.112
  386   2HB   PHE  79          2HB       PHE  79  -3.330   4.955   6.401
  387    HD1  PHE  79           HD1      PHE  79  -5.495   3.989   6.057
  388    HD2  PHE  79           HD2      PHE  79  -2.634   4.088   2.911
  389    HE1  PHE  79           HE1      PHE  79  -6.825   2.346   4.803
  390    HE2  PHE  79           HE2      PHE  79  -3.960   2.442   1.648
  391    HZ   PHE  79           HZ       PHE  79  -6.030   1.604   2.525
  392    H    LYS  80           H        LYS  80  -3.900   7.357   7.465
  393    HA   LYS  80           HA       LYS  80  -6.636   6.717   7.733
  394   1HB   LYS  80          1HB       LYS  80  -5.020   6.926   9.623
  395   2HB   LYS  80          2HB       LYS  80  -5.028   8.669   9.390
  396   1HG   LYS  80          1HG       LYS  80  -6.473   8.004  11.235
  397   2HG   LYS  80          2HG       LYS  80  -7.399   8.744   9.926
  398   1HD   LYS  80          1HD       LYS  80  -8.128   6.580   9.152
  399   2HD   LYS  80          2HD       LYS  80  -7.097   5.769  10.335
  400   1HE   LYS  80          1HE       LYS  80  -9.370   7.629  11.025
  401   2HE   LYS  80          2HE       LYS  80  -9.500   5.872  10.982
  402   1HZ   LYS  80          1HZ       LYS  80  -7.843   5.721  12.715
  403   2HZ   LYS  80          2HZ       LYS  80  -9.124   6.711  13.227
  404   3HZ   LYS  80          3HZ       LYS  80  -7.658   7.406  12.739
  405    H    GLU  81           H        GLU  81  -4.943   9.662   6.828
  406    HA   GLU  81           HA       GLU  81  -7.405  11.183   6.672
  407   1HB   GLU  81          1HB       GLU  81  -4.541  11.782   5.973
  408   2HB   GLU  81          2HB       GLU  81  -5.845  12.866   5.510
  409   1HG   GLU  81          1HG       GLU  81  -6.465  13.109   7.869
  410   2HG   GLU  81          2HG       GLU  81  -5.128  12.049   8.316
  411    H    GLY  82           H        GLY  82  -5.318   9.348   4.610
  412   1HA   GLY  82          1HA       GLY  82  -6.019  10.263   2.116
  413   2HA   GLY  82          2HA       GLY  82  -5.469   8.648   2.480
  414    H    VAL  83           H        VAL  83  -7.471   7.843   4.153
  415    HA   VAL  83           HA       VAL  83  -9.429   6.960   2.284
  416    HB   VAL  83           HB       VAL  83  -9.384   6.937   5.154
  417   1HG1  VAL  83          1HG1      VAL  83 -10.956   5.063   4.869
  418   2HG1  VAL  83          2HG1      VAL  83 -10.994   5.373   3.132
  419   3HG1  VAL  83          3HG1      VAL  83 -11.629   6.575   4.255
  420   1HG2  VAL  83          1HG2      VAL  83  -8.554   4.654   4.813
  421   2HG2  VAL  83          2HG2      VAL  83  -7.435   5.879   4.217
  422   3HG2  VAL  83          3HG2      VAL  83  -8.436   4.973   3.083
  423    H    ALA  84           H        ALA  84  -9.532   9.226   5.016
  424    HA   ALA  84           HA       ALA  84 -12.377   9.577   4.725
  425   1HB   ALA  84          1HB       ALA  84 -12.230  10.993   6.691
  426   2HB   ALA  84          2HB       ALA  84 -10.469  10.976   6.594
  427   3HB   ALA  84          3HB       ALA  84 -11.347   9.488   6.954
  428    H    SER  85           H        SER  85  -9.508  11.233   3.736
  429    HA   SER  85           HA       SER  85 -10.787  13.688   3.045
  430   1HB   SER  85          1HB       SER  85  -8.845  14.047   1.538
  431   2HB   SER  85          2HB       SER  85  -8.342  13.572   3.161
  432    HG   SER  85           HG       SER  85  -7.621  11.716   2.419
  433    H    GLY  86           H        GLY  86 -10.387  10.572   1.525
  434   1HA   GLY  86          1HA       GLY  86 -11.854   9.628  -0.035
  435   2HA   GLY  86          2HA       GLY  86 -12.545  11.223  -0.319
  436    H    ASN  87           H        ASN  87  -9.139  10.974  -0.283
  437    HA   ASN  87           HA       ASN  87  -8.792  10.461  -3.055
  438   1HB   ASN  87          1HB       ASN  87  -7.957  12.720  -3.702
  439   2HB   ASN  87          2HB       ASN  87  -9.681  12.675  -3.374
  440   1HD2  ASN  87          1HD2      ASN  87 -10.497  13.774  -1.597
  441   2HD2  ASN  87          2HD2      ASN  87  -9.556  14.932  -0.713
  442    H    LEU  88           H        LEU  88  -7.623   9.127  -1.218
  443    HA   LEU  88           HA       LEU  88  -5.095   9.988  -0.368
  444   1HB   LEU  88          1HB       LEU  88  -6.545   7.774   0.039
  445   2HB   LEU  88          2HB       LEU  88  -5.435   7.155  -1.171
  446    HG   LEU  88           HG       LEU  88  -4.621   8.524   1.340
  447   1HD1  LEU  88          1HD1      LEU  88  -4.749   5.576   0.737
  448   2HD1  LEU  88          2HD1      LEU  88  -5.772   6.456   1.875
  449   3HD1  LEU  88          3HD1      LEU  88  -4.044   6.289   2.189
  450   1HD2  LEU  88          1HD2      LEU  88  -3.032   6.917  -0.641
  451   2HD2  LEU  88          2HD2      LEU  88  -2.413   7.543   0.887
  452   3HD2  LEU  88          3HD2      LEU  88  -2.929   8.657  -0.377
  453    H    ASN  89           H        ASN  89  -4.275  11.161  -2.174
  454    HA   ASN  89           HA       ASN  89  -2.839   9.417  -4.014
  455   1HB   ASN  89          1HB       ASN  89  -4.718  10.049  -5.361
  456   2HB   ASN  89          2HB       ASN  89  -4.602  11.724  -4.855
  457   1HD2  ASN  89          1HD2      ASN  89  -3.077  13.061  -5.817
  458   2HD2  ASN  89          2HD2      ASN  89  -2.192  12.596  -7.231
  459    H    THR  90           H        THR  90  -0.842   9.808  -3.199
  460    HA   THR  90           HA       THR  90   0.274  12.392  -3.752
  461    HB   THR  90           HB       THR  90  -0.694  12.719  -1.708
  462    HG1  THR  90           HG1      THR  90   1.129  13.677  -0.903
  463   1HG2  THR  90          1HG2      THR  90  -0.648  10.479  -0.789
  464   2HG2  THR  90          2HG2      THR  90   0.208  11.598   0.271
  465   3HG2  THR  90          3HG2      THR  90   1.115  10.501  -0.771
  466    H    MET  91           H        MET  91   2.538  12.413  -3.620
  467    HA   MET  91           HA       MET  91   3.734   9.733  -3.534
  468   1HB   MET  91          1HB       MET  91   5.559  10.788  -4.981
  469   2HB   MET  91          2HB       MET  91   4.018  10.455  -5.749
  470   1HG   MET  91          1HG       MET  91   4.762  13.160  -4.674
  471   2HG   MET  91          2HG       MET  91   5.103  12.649  -6.325
  472   1HE   MET  91          1HE       MET  91   3.474  15.262  -5.759
  473   2HE   MET  91          2HE       MET  91   2.123  15.099  -6.880
  474   3HE   MET  91          3HE       MET  91   3.750  14.643  -7.387
  475    H    PHE  92           H        PHE  92   5.359   9.359  -2.210
  476    HA   PHE  92           HA       PHE  92   6.623  11.592  -0.800
  477   1HB   PHE  92          1HB       PHE  92   4.708  10.956   0.582
  478   2HB   PHE  92          2HB       PHE  92   5.211   9.270   0.540
  479    HD1  PHE  92           HD1      PHE  92   6.215  12.636   1.715
  480    HD2  PHE  92           HD2      PHE  92   6.703   8.428   2.131
  481    HE1  PHE  92           HE1      PHE  92   7.553  12.996   3.747
  482    HE2  PHE  92           HE2      PHE  92   8.035   8.780   4.170
  483    HZ   PHE  92           HZ       PHE  92   8.440  11.057   4.997
  484    H    GLU  93           H        GLU  93   8.752  11.244  -0.516
  485    HA   GLU  93           HA       GLU  93   9.745   8.556  -1.119
  486   1HB   GLU  93          1HB       GLU  93  11.101  11.261  -1.152
  487   2HB   GLU  93          2HB       GLU  93  11.974   9.744  -1.344
  488   1HG   GLU  93          1HG       GLU  93  10.755   9.232  -3.346
  489   2HG   GLU  93          2HG       GLU  93   9.716  10.635  -3.124
  490    H    TYR  94           H        TYR  94  10.317   7.311   0.497
  491    HA   TYR  94           HA       TYR  94  10.776   8.543   3.131
  492   1HB   TYR  94          1HB       TYR  94   8.766   7.166   3.060
  493   2HB   TYR  94          2HB       TYR  94   9.679   5.813   2.407
  494    HD1  TYR  94           HD1      TYR  94  10.618   4.232   3.845
  495    HD2  TYR  94           HD2      TYR  94   9.409   7.999   5.404
  496    HE1  TYR  94           HE1      TYR  94  11.058   3.424   6.124
  497    HE2  TYR  94           HE2      TYR  94   9.845   7.203   7.690
  498    HH   TYR  94           HH       TYR  94  10.002   5.087   8.906
  499    H    THR  95           H        THR  95  12.620   8.142   4.178
  500    HA   THR  95           HA       THR  95  14.611   6.562   2.740
  501    HB   THR  95           HB       THR  95  16.104   7.642   4.183
  502    HG1  THR  95           HG1      THR  95  15.368   9.224   5.483
  503   1HG2  THR  95          1HG2      THR  95  15.936   9.747   2.939
  504   2HG2  THR  95          2HG2      THR  95  14.324   9.281   2.394
  505   3HG2  THR  95          3HG2      THR  95  15.730   8.339   1.898
  506    H    PHE  96           H        PHE  96  15.965   5.114   3.799
  507    HA   PHE  96           HA       PHE  96  15.002   4.202   6.424
  508   1HB   PHE  96          1HB       PHE  96  16.317   2.704   4.162
  509   2HB   PHE  96          2HB       PHE  96  16.293   2.061   5.802
  510    HD1  PHE  96           HD1      PHE  96  14.326   1.086   6.712
  511    HD2  PHE  96           HD2      PHE  96  14.196   3.060   2.945
  512    HE1  PHE  96           HE1      PHE  96  12.088   0.155   6.307
  513    HE2  PHE  96           HE2      PHE  96  11.956   2.130   2.530
  514    HZ   PHE  96           HZ       PHE  96  10.900   0.664   4.233
  515    H    ASP  97           H        ASP  97  16.170   5.608   7.641
  516    HA   ASP  97           HA       ASP  97  18.925   6.179   7.204
  517   1HB   ASP  97          1HB       ASP  97  17.233   6.668   9.667
  518   2HB   ASP  97          2HB       ASP  97  18.789   7.412   9.319
  519    H    TYR  98           H        TYR  98  20.540   5.924   8.962
  520    HA   TYR  98           HA       TYR  98  21.753   4.806  10.501
  521   1HB   TYR  98          1HB       TYR  98  19.201   3.283  11.026
  522   2HB   TYR  98          2HB       TYR  98  20.675   3.112  11.971
  523    HD1  TYR  98           HD1      TYR  98  21.455   4.961  13.391
  524    HD2  TYR  98           HD2      TYR  98  17.769   5.190  11.291
  525    HE1  TYR  98           HE1      TYR  98  20.765   6.836  14.819
  526    HE2  TYR  98           HE2      TYR  98  17.071   7.072  12.709
  527    HH   TYR  98           HH       TYR  98  19.264   8.639  14.899
  528    H    GLN  99           H        GLN  99  19.806   2.751   8.387
  529    HA   GLN  99           HA       GLN  99  21.540   0.501   8.581
  530   1HB   GLN  99          1HB       GLN  99  19.564   1.151   6.389
  531   2HB   GLN  99          2HB       GLN  99  20.237  -0.431   6.761
  532   1HG   GLN  99          1HG       GLN  99  19.134  -0.303   8.990
  533   2HG   GLN  99          2HG       GLN  99  18.361   1.190   8.464
  534   1HE2  GLN  99          1HE2      GLN  99  16.307   0.392   8.617
  535   2HE2  GLN  99          2HE2      GLN  99  15.681  -0.804   7.527
  536    H    MET 100           H        MET 100  22.942  -0.338   6.996
  537    HA   MET 100           HA       MET 100  24.737   1.569   5.963
  538   1HB   MET 100          1HB       MET 100  25.430  -0.680   6.656
  539   2HB   MET 100          2HB       MET 100  24.505  -1.379   5.334
  540   1HG   MET 100          1HG       MET 100  25.947  -0.197   3.732
  541   2HG   MET 100          2HG       MET 100  26.894   0.430   5.080
  542   1HE   MET 100          1HE       MET 100  29.113  -0.522   4.017
  543   2HE   MET 100          2HE       MET 100  28.191  -1.140   2.646
  544   3HE   MET 100          3HE       MET 100  29.316  -2.196   3.498
  545    H    THR 101           H        THR 101  22.160  -0.298   4.463
  546    HA   THR 101           HA       THR 101  22.906   0.478   1.792
  547    HB   THR 101           HB       THR 101  20.341  -0.479   2.617
  548    HG1  THR 101           HG1      THR 101  22.841  -1.643   2.927
  549   1HG2  THR 101          1HG2      THR 101  20.665   0.095   0.276
  550   2HG2  THR 101          2HG2      THR 101  20.546  -1.654   0.480
  551   3HG2  THR 101          3HG2      THR 101  22.119  -0.899   0.224
  552    HA   PRO 102           HA       PRO 102  20.658   4.342   2.015
  553   1HB   PRO 102          1HB       PRO 102  21.068   5.156  -0.513
  554   2HB   PRO 102          2HB       PRO 102  22.373   5.130   0.680
  555   1HG   PRO 102          1HG       PRO 102  21.750   3.166  -1.489
  556   2HG   PRO 102          2HG       PRO 102  23.321   3.815  -0.984
  557   1HD   PRO 102          1HD       PRO 102  22.367   1.365  -0.218
  558   2HD   PRO 102          2HD       PRO 102  23.521   2.316   0.737
  559    H    THR 103           H        THR 103  19.083   2.007   1.733
  560    HA   THR 103           HA       THR 103  17.489   1.985  -0.590
  561    HB   THR 103           HB       THR 103  16.854   1.192   2.101
  562    HG1  THR 103           HG1      THR 103  18.263   0.010  -0.077
  563   1HG2  THR 103          1HG2      THR 103  15.791   0.360  -0.595
  564   2HG2  THR 103          2HG2      THR 103  14.913   1.285   0.623
  565   3HG2  THR 103          3HG2      THR 103  15.382  -0.384   0.949
  566    H    LYS 104           H        LYS 104  16.679   3.958  -1.102
  567    HA   LYS 104           HA       LYS 104  14.765   5.153   0.773
  568   1HB   LYS 104          1HB       LYS 104  16.459   6.635  -0.353
  569   2HB   LYS 104          2HB       LYS 104  15.721   6.216  -1.894
  570   1HG   LYS 104          1HG       LYS 104  13.543   7.083  -0.845
  571   2HG   LYS 104          2HG       LYS 104  14.594   7.837   0.352
  572   1HD   LYS 104          1HD       LYS 104  14.116   9.431  -1.390
  573   2HD   LYS 104          2HD       LYS 104  15.815   8.959  -1.495
  574   1HE   LYS 104          1HE       LYS 104  15.340   7.471  -3.328
  575   2HE   LYS 104          2HE       LYS 104  13.608   7.748  -3.157
  576   1HZ   LYS 104          1HZ       LYS 104  14.003  10.095  -3.726
  577   2HZ   LYS 104          2HZ       LYS 104  14.438   9.033  -4.974
  578   3HZ   LYS 104          3HZ       LYS 104  15.641   9.741  -4.009
  579    H    VAL 105           H        VAL 105  12.620   4.827   0.446
  580    HA   VAL 105           HA       VAL 105  11.850   3.629  -2.103
  581    HB   VAL 105           HB       VAL 105   9.823   3.194  -1.144
  582   1HG1  VAL 105          1HG1      VAL 105  10.683   1.383   0.271
  583   2HG1  VAL 105          2HG1      VAL 105  12.261   2.172   0.313
  584   3HG1  VAL 105          3HG1      VAL 105  11.623   1.552  -1.211
  585   1HG2  VAL 105          1HG2      VAL 105   9.704   4.915   0.548
  586   2HG2  VAL 105          2HG2      VAL 105  11.103   4.229   1.375
  587   3HG2  VAL 105          3HG2      VAL 105   9.595   3.318   1.290
  588    H    LYS 106           H        LYS 106   9.899   4.330  -3.097
  589    HA   LYS 106           HA       LYS 106   9.186   7.115  -2.542
  590   1HB   LYS 106          1HB       LYS 106  10.883   7.131  -4.324
  591   2HB   LYS 106          2HB       LYS 106   9.919   5.997  -5.258
  592   1HG   LYS 106          1HG       LYS 106   8.170   7.653  -5.523
  593   2HG   LYS 106          2HG       LYS 106   9.069   8.789  -4.513
  594   1HD   LYS 106          1HD       LYS 106  10.895   8.792  -6.140
  595   2HD   LYS 106          2HD       LYS 106  10.009   7.647  -7.148
  596   1HE   LYS 106          1HE       LYS 106   9.764   9.906  -8.009
  597   2HE   LYS 106          2HE       LYS 106   8.215   9.299  -7.425
  598   1HZ   LYS 106          1HZ       LYS 106   8.653  11.605  -6.756
  599   2HZ   LYS 106          2HZ       LYS 106  10.017  11.097  -5.886
  600   3HZ   LYS 106          3HZ       LYS 106   8.471  10.579  -5.420
  601    H    VAL 107           H        VAL 107   7.116   6.905  -1.989
  602    HA   VAL 107           HA       VAL 107   5.498   4.951  -3.455
  603    HB   VAL 107           HB       VAL 107   3.775   5.713  -1.922
  604   1HG1  VAL 107          1HG1      VAL 107   4.566   3.987  -0.363
  605   2HG1  VAL 107          2HG1      VAL 107   6.174   4.060  -1.085
  606   3HG1  VAL 107          3HG1      VAL 107   4.804   3.490  -2.039
  607   1HG2  VAL 107          1HG2      VAL 107   4.558   6.420   0.227
  608   2HG2  VAL 107          2HG2      VAL 107   5.045   7.605  -0.984
  609   3HG2  VAL 107          3HG2      VAL 107   6.226   6.466  -0.338
  610    H    HIS 108           H        HIS 108   3.798   5.425  -4.654
  611    HA   HIS 108           HA       HIS 108   2.610   8.073  -4.297
  612   1HB   HIS 108          1HB       HIS 108   3.864   8.052  -6.465
  613   2HB   HIS 108          2HB       HIS 108   2.860   6.703  -6.989
  614    HD1  HIS 108           HD1      HIS 108   1.201   7.560  -8.620
  615    HD2  HIS 108           HD2      HIS 108   1.814  10.223  -5.486
  616    HE1  HIS 108           HE1      HIS 108  -0.360   9.485  -9.045
  617    HE2  HIS 108           HE2      HIS 108   0.188  11.178  -7.262
  618    H    MET 109           H        MET 109   0.929   7.480  -3.170
  619    HA   MET 109           HA       MET 109  -0.647   5.154  -3.968
  620   1HB   MET 109          1HB       MET 109  -0.998   7.084  -1.655
  621   2HB   MET 109          2HB       MET 109  -1.999   5.675  -1.955
  622   1HG   MET 109          1HG       MET 109  -0.501   5.061  -0.260
  623   2HG   MET 109          2HG       MET 109   0.086   4.286  -1.729
  624   1HE   MET 109          1HE       MET 109   0.643   7.225   0.842
  625   2HE   MET 109          2HE       MET 109   0.390   8.057  -0.693
  626   3HE   MET 109          3HE       MET 109   1.976   8.093   0.078
  627    H    LYS 110           H        LYS 110  -2.779   5.366  -4.749
  628    HA   LYS 110           HA       LYS 110  -3.690   8.096  -5.134
  629   1HB   LYS 110          1HB       LYS 110  -4.045   7.858  -7.539
  630   2HB   LYS 110          2HB       LYS 110  -2.343   7.756  -7.124
  631   1HG   LYS 110          1HG       LYS 110  -2.196   5.535  -7.691
  632   2HG   LYS 110          2HG       LYS 110  -3.918   5.241  -7.421
  633   1HD   LYS 110          1HD       LYS 110  -3.325   5.209  -9.816
  634   2HD   LYS 110          2HD       LYS 110  -4.476   6.488  -9.427
  635   1HE   LYS 110          1HE       LYS 110  -2.426   8.009  -9.218
  636   2HE   LYS 110          2HE       LYS 110  -1.545   6.717 -10.032
  637   1HZ   LYS 110          1HZ       LYS 110  -2.317   8.356 -11.611
  638   2HZ   LYS 110          2HZ       LYS 110  -3.915   8.155 -11.095
  639   3HZ   LYS 110          3HZ       LYS 110  -3.114   6.883 -11.882
  640    H    LYS 111           H        LYS 111  -5.784   8.256  -4.853
  641    HA   LYS 111           HA       LYS 111  -7.611   6.263  -4.563
  642   1HB   LYS 111          1HB       LYS 111  -8.044   8.529  -4.040
  643   2HB   LYS 111          2HB       LYS 111  -7.763   9.041  -5.688
  644   1HG   LYS 111          1HG       LYS 111  -9.808   7.813  -6.378
  645   2HG   LYS 111          2HG       LYS 111 -10.119   7.466  -4.671
  646   1HD   LYS 111          1HD       LYS 111 -10.295   9.797  -4.162
  647   2HD   LYS 111          2HD       LYS 111  -9.756  10.243  -5.780
  648   1HE   LYS 111          1HE       LYS 111 -12.152  10.530  -5.592
  649   2HE   LYS 111          2HE       LYS 111 -11.789   9.219  -6.712
  650   1HZ   LYS 111          1HZ       LYS 111 -13.626   8.782  -5.103
  651   2HZ   LYS 111          2HZ       LYS 111 -12.468   8.759  -3.861
  652   3HZ   LYS 111          3HZ       LYS 111 -12.395   7.621  -5.114
  653    H    ALA 112           H        ALA 112  -8.121   4.671  -5.874
  654    HA   ALA 112           HA       ALA 112  -7.214   4.278  -8.434
  655   1HB   ALA 112          1HB       ALA 112  -9.758   3.148  -7.271
  656   2HB   ALA 112          2HB       ALA 112  -8.136   2.513  -6.994
  657   3HB   ALA 112          3HB       ALA 112  -8.831   2.480  -8.614
  658    H    LEU 113           H        LEU 113  -7.965   4.639 -10.478
  659    HA   LEU 113           HA       LEU 113  -9.536   6.961 -10.862
  660   1HB   LEU 113          1HB       LEU 113  -8.728   4.877 -12.889
  661   2HB   LEU 113          2HB       LEU 113  -9.289   6.499 -13.245
  662    HG   LEU 113           HG       LEU 113  -6.716   5.784 -11.836
  663   1HD1  LEU 113          1HD1      LEU 113  -7.233   6.955 -14.566
  664   2HD1  LEU 113          2HD1      LEU 113  -6.690   5.311 -14.234
  665   3HD1  LEU 113          3HD1      LEU 113  -5.650   6.680 -13.838
  666   1HD2  LEU 113          1HD2      LEU 113  -7.676   7.857 -10.980
  667   2HD2  LEU 113          2HD2      LEU 113  -7.837   8.470 -12.626
  668   3HD2  LEU 113          3HD2      LEU 113  -6.236   8.177 -11.947
  669    H    SER 114           H        SER 114 -10.362   3.688 -10.480
  670    HA   SER 114           HA       SER 114 -12.787   3.549 -11.881
  671   1HB   SER 114          1HB       SER 114 -12.223   2.203  -9.236
  672   2HB   SER 114          2HB       SER 114 -13.236   1.619 -10.558
  673    HG   SER 114           HG       SER 114 -11.533   0.814 -11.490
  674    H    GLY 115           H        GLY 115 -12.191   4.235  -8.438
  675   1HA   GLY 115          1HA       GLY 115 -13.853   6.419  -8.167
  676   2HA   GLY 115          2HA       GLY 115 -14.874   5.009  -7.899
  677    H    ASP 116           H        ASP 116 -14.083   3.432  -6.277
  678    HA   ASP 116           HA       ASP 116 -12.909   4.848  -3.992
  679   1HB   ASP 116          1HB       ASP 116 -15.063   3.429  -3.840
  680   2HB   ASP 116          2HB       ASP 116 -13.995   2.034  -3.950
  681    H    SER 117           H        SER 117 -11.785   2.734  -2.662
  682    HA   SER 117           HA       SER 117  -9.809   1.735  -2.325
  683   1HB   SER 117          1HB       SER 117  -8.856   0.301  -4.138
  684   2HB   SER 117          2HB       SER 117 -10.523  -0.031  -3.700
  685    HG   SER 117           HG       SER 117 -10.412   1.762  -5.718
  686    H    TYR 118           H        TYR 118  -7.524   1.799  -2.676
  687    HA   TYR 118           HA       TYR 118  -6.610   4.086  -4.280
  688   1HB   TYR 118          1HB       TYR 118  -5.806   3.674  -1.381
  689   2HB   TYR 118          2HB       TYR 118  -5.363   5.019  -2.430
  690    HD1  TYR 118           HD1      TYR 118  -7.804   3.680  -0.180
  691    HD2  TYR 118           HD2      TYR 118  -7.089   6.659  -3.100
  692    HE1  TYR 118           HE1      TYR 118  -9.752   4.937   0.655
  693    HE2  TYR 118           HE2      TYR 118  -9.039   7.940  -2.291
  694    HH   TYR 118           HH       TYR 118 -11.109   7.565  -1.047
  695    H    TRP 119           H        TRP 119  -4.565   3.800  -5.153
  696    HA   TRP 119           HA       TRP 119  -3.498   1.113  -4.886
  697   1HB   TRP 119          1HB       TRP 119  -2.891   3.394  -6.758
  698   2HB   TRP 119          2HB       TRP 119  -2.040   1.839  -6.792
  699    HD1  TRP 119           HD1      TRP 119  -5.707   3.116  -7.098
  700    HE1  TRP 119           HE1      TRP 119  -6.888   1.599  -8.834
  701    HE3  TRP 119           HE3      TRP 119  -1.874  -0.073  -8.127
  702    HZ2  TRP 119           HZ2      TRP 119  -6.246  -0.665 -10.423
  703    HZ3  TRP 119           HZ3      TRP 119  -2.204  -1.856  -9.738
  704    HH2  TRP 119           HH2      TRP 119  -4.347  -2.162 -10.884
  705    H    VAL 120           H        VAL 120  -1.204   0.829  -4.850
  706    HA   VAL 120           HA       VAL 120   0.326   2.947  -3.502
  707    HB   VAL 120           HB       VAL 120   0.349   0.123  -2.926
  708   1HG1  VAL 120          1HG1      VAL 120   1.850   0.835  -1.104
  709   2HG1  VAL 120          2HG1      VAL 120   1.838   2.475  -1.754
  710   3HG1  VAL 120          3HG1      VAL 120   2.540   1.159  -2.694
  711   1HG2  VAL 120          1HG2      VAL 120  -0.559   0.782  -0.767
  712   2HG2  VAL 120          2HG2      VAL 120  -1.671   1.174  -2.077
  713   3HG2  VAL 120          3HG2      VAL 120  -0.704   2.446  -1.331
  714    H    PHE 121           H        PHE 121   1.500   3.425  -5.335
  715    HA   PHE 121           HA       PHE 121   3.069   1.251  -6.549
  716   1HB   PHE 121          1HB       PHE 121   2.905   4.172  -7.329
  717   2HB   PHE 121          2HB       PHE 121   3.731   2.908  -8.221
  718    HD1  PHE 121           HD1      PHE 121   0.582   4.539  -7.571
  719    HD2  PHE 121           HD2      PHE 121   2.406   1.125  -9.336
  720    HE1  PHE 121           HE1      PHE 121  -1.480   4.095  -8.835
  721    HE2  PHE 121           HE2      PHE 121   0.347   0.676 -10.606
  722    HZ   PHE 121           HZ       PHE 121  -1.573   2.198 -10.408
  723    H    VAL 122           H        VAL 122   5.104   0.917  -5.815
  724    HA   VAL 122           HA       VAL 122   6.422   3.159  -4.448
  725    HB   VAL 122           HB       VAL 122   5.562   1.631  -2.987
  726   1HG1  VAL 122          1HG1      VAL 122   6.578  -0.593  -2.799
  727   2HG1  VAL 122          2HG1      VAL 122   7.438  -0.317  -4.315
  728   3HG1  VAL 122          3HG1      VAL 122   5.677  -0.400  -4.303
  729   1HG2  VAL 122          1HG2      VAL 122   7.498   2.945  -2.411
  730   2HG2  VAL 122          2HG2      VAL 122   8.557   1.735  -3.132
  731   3HG2  VAL 122          3HG2      VAL 122   7.608   1.332  -1.702
  732    H    LYS 123           H        LYS 123   8.619   3.360  -4.683
  733    HA   LYS 123           HA       LYS 123   9.954   1.489  -6.499
  734   1HB   LYS 123          1HB       LYS 123  10.402   4.474  -6.348
  735   2HB   LYS 123          2HB       LYS 123  11.214   3.358  -7.436
  736   1HG   LYS 123          1HG       LYS 123   9.089   2.898  -8.551
  737   2HG   LYS 123          2HG       LYS 123   8.277   4.023  -7.459
  738   1HD   LYS 123          1HD       LYS 123   8.751   5.105  -9.578
  739   2HD   LYS 123          2HD       LYS 123   9.715   5.838  -8.294
  740   1HE   LYS 123          1HE       LYS 123  11.641   4.481  -8.980
  741   2HE   LYS 123          2HE       LYS 123  10.674   3.767 -10.270
  742   1HZ   LYS 123          1HZ       LYS 123  10.377   6.081 -11.137
  743   2HZ   LYS 123          2HZ       LYS 123  11.962   5.481 -11.224
  744   3HZ   LYS 123          3HZ       LYS 123  11.548   6.593 -10.017
  745    H    ARG 124           H        ARG 124  11.578   0.488  -5.456
  746    HA   ARG 124           HA       ARG 124  12.855   1.919  -3.215
  747   1HB   ARG 124          1HB       ARG 124  13.354  -0.257  -2.227
  748   2HB   ARG 124          2HB       ARG 124  11.624  -0.087  -2.483
  749   1HG   ARG 124          1HG       ARG 124  11.546  -1.762  -3.992
  750   2HG   ARG 124          2HG       ARG 124  13.128  -1.371  -4.669
  751   1HD   ARG 124          1HD       ARG 124  12.686  -2.699  -1.998
  752   2HD   ARG 124          2HD       ARG 124  13.055  -3.561  -3.492
  753    HE   ARG 124           HE       ARG 124  15.104  -1.855  -3.367
  754   1HH1  ARG 124          1HH1      ARG 124  13.727  -3.958  -0.934
  755   2HH1  ARG 124          2HH1      ARG 124  15.207  -4.095  -0.029
  756   1HH2  ARG 124          1HH2      ARG 124  17.064  -2.051  -2.229
  757   2HH2  ARG 124          2HH2      ARG 124  17.126  -3.044  -0.792
  758    H    VAL 125           H        VAL 125  15.090   1.636  -2.927
  759    HA   VAL 125           HA       VAL 125  16.505   0.362  -5.155
  760    HB   VAL 125           HB       VAL 125  16.766   2.505  -5.444
  761   1HG1  VAL 125          1HG1      VAL 125  17.520   2.747  -2.537
  762   2HG1  VAL 125          2HG1      VAL 125  16.074   3.399  -3.306
  763   3HG1  VAL 125          3HG1      VAL 125  17.663   4.031  -3.738
  764   1HG2  VAL 125          1HG2      VAL 125  18.735   1.171  -5.769
  765   2HG2  VAL 125          2HG2      VAL 125  19.182   1.367  -4.074
  766   3HG2  VAL 125          3HG2      VAL 125  19.176   2.763  -5.153
  767    H2   HC4 169           H2       HC4 169   0.762  -7.536  18.743
  768    H3   HC4 169           H3       HC4 169   1.294  -9.448  17.884
  769    H2'  HC4 169           H2'      HC4 169   2.228 -11.661  17.696
  770    H3'  HC4 169           H3'      HC4 169   3.578 -13.545  18.502
  771    H5'  HC4 169           H5'      HC4 169   4.308 -11.450  22.137
  772    H6'  HC4 169           H6'      HC4 169   2.989  -9.556  21.306
  773   'HO4  HC4 169          'HO4      HC4 169   5.383 -13.958  20.165