*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   31-OCT-05   2EVN              
*TITLE     NMR SOLUTION STRUCTURES OF AT1G77540                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN AT1G77540;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS;                                    
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: B834;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PQE                                       
*KEYWDS    PSI STRUCTURAL GENOMICS CESG AT1G77540 CENTER FOR                     
*KEYWDS   2 EUKARYOTIC STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.C.TYLER, S.SINGH, M.TONELLI, M.S.MIN, J.L.MARKLEY, CENTER           
*AUTHOR   2 FOR EUKARYOTIC STRUCTURAL GENOMICS (CESG)                            
*REVDAT   1   15-NOV-05 2EVN    0                                                


 ASSI {   24}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.720 ppm2      5.952 CV     1
 ASSI {   25}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
      2.300     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.711 ppm2      1.301 CV     1
 ASSI {   28}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.212 ppm2      8.267 CV     1
 ASSI {   30}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.800     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.209 ppm2      1.209 CV     1
 ASSI {   37}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 44   and name HA  ))
      4.300     2.300     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.721 ppm2      3.911 CV     1
 ASSI {   39}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.500     1.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.254 ppm2      8.205 CV     1
 ASSI {   40}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.252 ppm2      7.418 CV     1
 ASSI {   41}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 81   and name HA  ))
      3.300     3.300     2.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      3.252 ppm2      4.756 CV     1
 ASSI {   42}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.253 ppm2      4.247 CV     1
 ASSI {   43}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 82   and name HG2%)
      2.600     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.254 ppm2      0.967 CV     1
 ASSI {   53}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.042 ppm2      8.110 CV     1
 ASSI {   55}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      2.000     0.500     0.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.042 ppm2      7.144 CV     1
 ASSI {   57}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB  ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.037 ppm2      2.103 CV     1
 ASSI {   58}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.700     1.700     1.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.038 ppm2      1.716 CV     1
 ASSI {   59}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HG2%)
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.037 ppm2      1.319 CV     1
 ASSI {   60}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HG1%)
      2.500     0.800     0.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.037 ppm2      1.050 CV     1
 ASSI {   61}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.036 ppm2      8.316 CV     1
 ASSI {   80}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.743 ppm2      8.559 CV     1
 ASSI {   81}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.742 ppm2      5.243 CV     1
 ASSI {   83}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.744 ppm2      4.475 CV     1
 ASSI {   85}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HG1 ))
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.743 ppm2      0.652 CV     1
 ASSI {  110}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.100     3.100     2.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.672 ppm2      8.573 CV     1
 ASSI {  111}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.672 ppm2      8.190 CV     1
 ASSI {  112}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.400     1.400     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.671 ppm2      3.202 CV     1
 ASSI {  113}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB  ))
      2.700     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.670 ppm2      2.287 CV     1
 ASSI {  114}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HG2%)
      2.500     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.671 ppm2      1.382 CV     1
 ASSI {  115}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HG1%)
      2.600     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.672 ppm2      1.182 CV     1
 ASSI {  122}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.200     1.200     1.200 peak   122 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.495 ppm2      2.471 CV     1
 ASSI {  123}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HG  ))
      3.400     1.400     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.495 ppm2      2.225 CV     1
 ASSI {  124}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.600     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.495 ppm2      1.810 CV     1
 ASSI {  127}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.146 ppm2      6.596 CV     1
 ASSI {  128}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.600     0.800     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.139 ppm2      2.294 CV     1
 ASSI {  129}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
      3.100     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.139 ppm2      1.864 CV     1
 ASSI {  130}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.000     1.100     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.140 ppm2      1.582 CV     1
 ASSI {  157}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
      3.000     1.200     1.200 peak   157 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.139 ppm2      2.917 CV     1
 ASSI {  175}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD1 ))
      2.900     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.325 ppm2      3.542 CV     1
 ASSI {  177}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      3.000     1.200     1.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.328 ppm2      2.234 CV     1
 ASSI {  178}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.328 ppm2      1.975 CV     1
 ASSI {  179}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.800     2.800     3.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.327 ppm2      1.727 CV     1
 ASSI {  180}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.200     3.200     2.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.328 ppm2      1.474 CV     1
 ASSI {  181}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD2 ))
      3.100     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.323 ppm2      3.211 CV     1
 ASSI {  182}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.277 ppm2      8.211 CV     1
 ASSI {  183}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.278 ppm2      7.412 CV     1
 ASSI {  184}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      2.900     2.900     3.100 peak   184 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.278 ppm2      4.741 CV     1
 ASSI {  188}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.200     1.200     1.200 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.278 ppm2      1.582 CV     1
 ASSI {  189}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HG2%)
      3.300     1.400     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.274 ppm2      0.960 CV     1
 ASSI {  191}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.572 ppm2      8.308 CV     1
 ASSI {  192}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.566 ppm2      7.273 CV     1
 ASSI {  193}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.100     3.100     2.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.565 ppm2      2.558 CV     1
 ASSI {  216}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.700     0.900     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.569 ppm2      2.301 CV     1
 ASSI {  238}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.000     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.276 ppm2      7.762 CV     1
 ASSI {  239}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.266 ppm2      8.405 CV     1
 ASSI {  240}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.271 ppm2      8.208 CV     1
 ASSI {  241}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.269 ppm2      7.510 CV     1
 ASSI {  242}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     3.200     2.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.264 ppm2      2.735 CV     1
 ASSI {  243}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     3.200     2.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.264 ppm2      2.575 CV     1
 ASSI {  244}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB  ))
      2.700     0.900     0.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.268 ppm2      2.142 CV     1
 ASSI {  245}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.700     0.900     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.269 ppm2      0.886 CV     1
 ASSI {  247}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD% )
      2.900     1.100     1.100 peak   247 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.146 ppm2      6.910 CV     1
 ASSI {  254}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.890 ppm2      7.707 CV     1
 ASSI {  255}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 100  and name HD1 ))
      3.000     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.886 ppm2      1.654 CV     1
 ASSI {  256}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      2.100     2.100     3.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.848 ppm2      8.232 CV     1
 ASSI {  278}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.468 ppm2      9.171 CV     1
 ASSI {  279}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.469 ppm2      8.580 CV     1
 ASSI {  280}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.470 ppm2      5.488 CV     1
 ASSI {  282}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 26   and name HG11))
      2.500     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.469 ppm2      1.892 CV     1
 ASSI {  284}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.471 ppm2      1.150 CV     1
 ASSI {  285}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG1 ))
      2.900     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.469 ppm2      0.660 CV     1
 ASSI {  287}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.000     3.000     3.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.158 ppm2      8.564 CV     1
 ASSI {  288}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.900     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.158 ppm2      8.184 CV     1
 ASSI {  289}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.165 ppm2      7.765 CV     1
 ASSI {  291}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.900     2.900     3.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.148 ppm2      7.418 CV     1
 ASSI {  303}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.200     1.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.033 ppm2      8.670 CV     1
 ASSI {  304}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     3.100     2.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.031 ppm2      4.779 CV     1
 ASSI {  305}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 81   and name HB1 ))
      3.200     1.300     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.031 ppm2      2.910 CV     1
 ASSI {  307}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.897 ppm2      8.220 CV     1
 ASSI {  321}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.251 ppm2      7.608 CV     1
 ASSI {  322}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 78   and name HE% )
      3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.251 ppm2      6.726 CV     1
 ASSI {  323}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.700     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.253 ppm2      2.305 CV     1
 ASSI {  325}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.990 ppm2      8.221 CV     1
 ASSI {  326}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.600     0.800     0.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.989 ppm2      7.979 CV     1
 ASSI {  328}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 87   and name HD22))
      2.800     2.800     3.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.994 ppm2      6.909 CV     1
 ASSI {  330}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.700     0.900     0.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.993 ppm2      3.184 CV     1
 ASSI {  331}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      2.500     0.800     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.989 ppm2      1.947 CV     1
 ASSI {  332}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.993 ppm2      1.612 CV     1
 ASSI {  334}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.977 ppm2      4.773 CV     1
 ASSI {  354}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.738 ppm2      8.340 CV     1
 ASSI {  356}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.722 ppm2      8.817 CV     1
 ASSI {  357}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.719 ppm2      8.550 CV     1
 ASSI {  359}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      2.900     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.722 ppm2      1.279 CV     1
 ASSI {  360}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.700     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.724 ppm2      0.888 CV     1
 ASSI {  365}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.381 ppm2      8.349 CV     1
 ASSI {  366}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.500     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.381 ppm2      2.216 CV     1
 ASSI {  367}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.200     1.200 peak   367 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.382 ppm2      1.689 CV     1
 ASSI {  368}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 53   and name HD2%)
      3.500     1.600     1.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.382 ppm2      0.821 CV     1
 ASSI {  378}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      2.900     2.900     3.100 peak   378 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.122 ppm2      4.767 CV     1
 ASSI {  380}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HB  ))
      2.900     2.900     3.100 peak   380 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.123 ppm2      2.281 CV     1
 ASSI {  381}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 79   and name HG2%)
      3.300     3.300     2.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.122 ppm2      1.385 CV     1
 ASSI {  388}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.799 ppm2      8.213 CV     1
 ASSI {  389}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 40   and name HG1%)
      2.900     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.799 ppm2      0.888 CV     1
 OR {  389}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  393}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.385 ppm2      8.890 CV     1
 ASSI {  394}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.383 ppm2      8.356 CV     1
 ASSI {  395}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.383 ppm2      8.125 CV     1
 ASSI {  396}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      2.400     0.700     0.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.386 ppm2      7.110 CV     1
 ASSI {  399}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.000     3.000     3.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.377 ppm2      2.953 CV     1
 ASSI {  400}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.600     0.800     0.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.382 ppm2      1.714 CV     1
 ASSI {  401}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      3.200     1.300     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.383 ppm2      1.338 CV     1
 ASSI {  402}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.382 ppm2      1.071 CV     1
 ASSI {  404}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      2.400     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.383 ppm2     -0.155 CV     1
 ASSI {  425}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.800     1.800     1.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.738 ppm2      1.980 CV     1
 ASSI {  426}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.400     3.400     2.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.736 ppm2      1.682 CV     1
 OR {  426}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  427}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.400     3.400     2.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.700 ppm2      2.138 CV     1
 ASSI {  438}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.332 ppm2      8.274 CV     1
 ASSI {  439}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HD1 ))
      2.800     2.800     3.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.329 ppm2      3.546 CV     1
 ASSI {  440}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.900     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.331 ppm2      1.212 CV     1
 ASSI {  442}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.600     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.138 ppm2      7.620 CV     1
 ASSI {  444}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.100     1.200     1.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.135 ppm2      3.540 CV     1
 ASSI {  445}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
      2.700     0.900     0.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.135 ppm2      1.974 CV     1
 ASSI {  447}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.135 ppm2      1.477 CV     1
 ASSI {  453}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.793 ppm2      7.763 CV     1
 ASSI {  470}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.400     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.488 ppm2      2.271 CV     1
 ASSI {  471}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      3.200     3.200     2.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.465 ppm2      4.742 CV     1
 ASSI {  472}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.283 ppm2      8.613 CV     1
 ASSI {  474}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 93   and name HD1%)
      2.800     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.283 ppm2      1.278 CV     1
 ASSI {  475}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.020 ppm2      7.330 CV     1
 ASSI {  500}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      3.400     3.400     2.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.539 ppm2      1.598 CV     1
 ASSI {  501}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.529 ppm2      9.201 CV     1
 ASSI {  503}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.528 ppm2      5.303 CV     1
 ASSI {  504}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.100     2.100     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.532 ppm2      1.812 CV     1
 ASSI {  505}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB  ))
      2.700     0.900     0.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.529 ppm2      1.386 CV     1
 ASSI {  508}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.299 ppm2      8.222 CV     1
 ASSI {  509}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.900     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.299 ppm2      3.871 CV     1
 ASSI {  511}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.133 ppm2      8.670 CV     1
 ASSI {  512}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.134 ppm2      8.204 CV     1
 ASSI {  513}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.100     1.100 peak   513 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.134 ppm2      5.269 CV     1
 ASSI {  514}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.500     0.800     0.800 peak   514 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.133 ppm2      2.735 CV     1
 ASSI {  515}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   515 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.008 ppm2      8.347 CV     1
 ASSI {  516}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.004 ppm2      7.744 CV     1
 ASSI {  518}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.003 ppm2      2.956 CV     1
 ASSI {  519}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.003 ppm2      2.779 CV     1
 ASSI {  520}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
      3.400     3.400     2.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.006 ppm2      2.001 CV     1
 ASSI {  551}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.855 ppm2      7.750 CV     1
 ASSI {  552}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.300     0.600     0.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.856 ppm2      2.261 CV     1
 ASSI {  553}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.855 ppm2      2.093 CV     1
 ASSI {  554}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.700     0.900     0.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.856 ppm2      1.529 CV     1
 ASSI {  557}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 39   and name HD2%)
      3.000     1.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.856 ppm2      0.703 CV     1
 ASSI {  563}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.668 ppm2      9.605 CV     1
 ASSI {  564}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.669 ppm2      8.910 CV     1
 ASSI {  565}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.500     1.500     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.668 ppm2      3.452 CV     1
 ASSI {  566}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      2.900     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.669 ppm2      2.201 CV     1
 ASSI {  567}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.800     1.000     1.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.667 ppm2      0.921 CV     1
 ASSI {  568}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.589 ppm2      8.153 CV     1
 ASSI {  569}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.900     0.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.588 ppm2      7.694 CV     1
 ASSI {  570}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     3.100     2.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.588 ppm2      4.346 CV     1
 ASSI {  571}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     3.000     3.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.589 ppm2      4.164 CV     1
 ASSI {  574}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.900     0.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.588 ppm2      1.648 CV     1
 ASSI {  575}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG11))
      2.900     1.000     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.586 ppm2      1.405 CV     1
 ASSI {  581}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.000     1.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.432 ppm2      8.308 CV     1
 ASSI {  582}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.900     0.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.431 ppm2      7.567 CV     1
 ASSI {  583}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.432 ppm2      7.324 CV     1
 ASSI {  586}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.600     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.431 ppm2      3.014 CV     1
 ASSI {  587}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB  ))
      2.500     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.431 ppm2      2.104 CV     1
 ASSI {  588}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HG2%)
      2.800     1.000     1.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.431 ppm2      1.311 CV     1
 ASSI {  589}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HG1%)
      3.500     1.500     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.432 ppm2      1.065 CV     1
 ASSI {  591}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.428 ppm2      8.533 CV     1
 ASSI {  592}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HG  ))
      3.300     3.300     2.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.421 ppm2      1.536 CV     1
 ASSI {  597}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.141 ppm2      3.753 CV     1
 ASSI {  599}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG1 ))
      3.400     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.094 ppm2      2.681 CV     1
 ASSI {  600}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.090 ppm2      8.893 CV     1
 ASSI {  602}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     3.300     2.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.088 ppm2      4.335 CV     1
 ASSI {  603}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.800     1.000     1.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.089 ppm2      2.451 CV     1
 ASSI {  604}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.600     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.089 ppm2      2.020 CV     1
 ASSI {  606}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.700     1.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.002 ppm2      2.492 CV     1
 ASSI {  608}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   608 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.759 ppm2      8.818 CV     1
 ASSI {  610}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.757 ppm2      7.579 CV     1
 ASSI {  611}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
      3.400     3.400     2.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.758 ppm2      4.735 CV     1
 ASSI {  615}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.758 ppm2      2.002 CV     1
 ASSI {  616}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.800     1.000     1.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.759 ppm2      0.903 CV     1
 ASSI {  649}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.486 ppm2      9.244 CV     1
 ASSI {  651}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.600     1.600     1.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.486 ppm2      2.214 CV     1
 ASSI {  652}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG11))
      2.900     1.000     1.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.484 ppm2      1.894 CV     1
 ASSI {  653}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      2.500     0.800     0.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.486 ppm2      1.635 CV     1
 ASSI {  654}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.900     1.000     1.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.485 ppm2      1.152 CV     1
 ASSI {  655}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      3.300     1.400     1.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.487 ppm2      0.790 CV     1
 ASSI {  662}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.651 ppm2      9.225 CV     1
 ASSI {  666}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.645 ppm2      8.723 CV     1
 ASSI {  667}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      2.700     0.900     0.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.645 ppm2      1.672 CV     1
 ASSI {  668}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.179 ppm2      8.162 CV     1
 ASSI {  669}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.180 ppm2      7.785 CV     1
 ASSI {  670}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.600     0.800     0.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.885 ppm2      8.590 CV     1
 ASSI {  671}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.600     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.885 ppm2      7.512 CV     1
 ASSI {  673}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.600     0.800     0.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.885 ppm2      2.060 CV     1
 ASSI {  674}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
      2.600     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.886 ppm2      1.766 CV     1
 ASSI {  675}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.700     0.900     0.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.886 ppm2      1.479 CV     1
 ASSI {  676}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HD1%)
      3.600     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.888 ppm2      1.092 CV     1
 ASSI {  677}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.885 ppm2      0.888 CV     1
 ASSI {  686}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 10   and name HE1 ))
      2.600     0.900     0.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.268 ppm2      9.773 CV     1
 ASSI {  687}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.267 ppm2      7.552 CV     1
 ASSI {  689}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.267 ppm2      4.531 CV     1
 ASSI {  693}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.267 ppm2      1.191 CV     1
 ASSI {  694}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.267 ppm2      0.351 CV     1
 ASSI {  709}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB  ))
      2.500     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.313 ppm2      1.312 CV     1
 ASSI {  710}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.312 ppm2      9.206 CV     1
 ASSI {  711}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.311 ppm2      8.652 CV     1
 ASSI {  713}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.309 ppm2      1.808 CV     1
 ASSI {  714}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      3.000     3.000     3.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.309 ppm2      1.580 CV     1
 ASSI {  715}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HG12))
      2.900     1.000     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      5.306 ppm2      1.090 CV     1
 OR {  715}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HG11))
 ASSI {  716}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG12))
      2.400     0.700     0.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.312 ppm2      0.793 CV     1
 ASSI {  717}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HG2%)
      2.600     0.900     0.900 peak   717 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.311 ppm2      0.437 CV     1
 ASSI {  718}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD1%)
      3.400     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.311 ppm2     -0.157 CV     1
 ASSI {  725}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.358 ppm2      8.155 CV     1
 ASSI {  726}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.361 ppm2      7.554 CV     1
 ASSI {  727}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
      3.300     1.300     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.359 ppm2      2.331 CV     1
 ASSI {  728}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.600     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.359 ppm2      2.116 CV     1
 ASSI {  733}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      2.400     0.700     0.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.817 ppm2      1.962 CV     1
 ASSI {  734}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG  ))
      2.800     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.817 ppm2      1.571 CV     1
 ASSI {  735}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.816 ppm2      8.526 CV     1
 ASSI {  736}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.815 ppm2      7.318 CV     1
 ASSI {  737}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     2.900     3.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.816 ppm2      3.559 CV     1
 ASSI {  739}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 60   and name HB% )
      2.700     0.900     0.900 peak   739 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.817 ppm2      1.304 CV     1
 ASSI {  740}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HD1%)
      3.600     1.600     1.600 peak   740 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.817 ppm2      0.871 CV     1
 ASSI {  767}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.624 ppm2      9.606 CV     1
 ASSI {  768}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      2.700     0.900     0.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.626 ppm2      1.830 CV     1
 ASSI {  770}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     0.800     0.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.624 ppm2      0.899 CV     1
 ASSI {  771}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      2.600     0.800     0.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.625 ppm2      0.587 CV     1
 ASSI {  772}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   772 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.620 ppm2      8.827 CV     1
 ASSI {  773}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.800     0.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.621 ppm2      8.368 CV     1
 ASSI {  774}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   774 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.615 ppm2      4.181 CV     1
 ASSI {  775}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.100     2.100     3.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.510 ppm2      3.737 CV     1
 ASSI {  776}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.800     1.000     1.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.506 ppm2      7.733 CV     1
 ASSI {  777}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB1 ))
      2.900     1.100     1.100 peak   777 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.506 ppm2      3.893 CV     1
 ASSI {  779}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.900     1.000     1.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.425 ppm2      3.846 CV     1
 ASSI {  780}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HD1 ))
      2.900     2.900     3.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.398 ppm2      1.688 CV     1
 ASSI {  783}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.500     1.500     1.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.931 ppm2      3.028 CV     1
 ASSI {  784}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   784 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.920 ppm2      8.210 CV     1
 ASSI {  785}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak   785 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.916 ppm2      7.572 CV     1
 ASSI {  786}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HD2 ))
      2.600     0.900     0.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.917 ppm2      6.900 CV     1
 ASSI {  787}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.919 ppm2      1.689 CV     1
 ASSI {  788}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   788 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.920 ppm2      1.204 CV     1
 ASSI {  810}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.308 ppm2      9.561 CV     1
 ASSI {  811}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.309 ppm2      8.978 CV     1
 ASSI {  812}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.600     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.306 ppm2      7.014 CV     1
 ASSI {  813}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.400     0.700     0.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.307 ppm2      2.977 CV     1
 ASSI {  814}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.000     1.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.308 ppm2      2.697 CV     1
 ASSI {  816}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      3.000     3.000     3.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.307 ppm2      2.156 CV     1
 ASSI {  818}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.903 ppm2      8.644 CV     1
 ASSI {  819}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.800     1.800     1.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.902 ppm2      2.869 CV     1
 ASSI {  820}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
      2.700     0.900     0.900 peak   820 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.904 ppm2      2.309 CV     1
 ASSI {  821}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.500     1.500     1.500 peak   821 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.901 ppm2      2.054 CV     1
 ASSI {  825}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.700     0.900     0.900 peak   825 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.906 ppm2      0.882 CV     1
 ASSI {  833}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     3.000     3.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.706 ppm2      7.223 CV     1
 ASSI {  834}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.707 ppm2      3.441 CV     1
 ASSI {  835}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak   835 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.706 ppm2      3.084 CV     1
 ASSI {  836}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.200     3.200     2.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.702 ppm2      1.069 CV     1
 ASSI {  842}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.900     1.000     1.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.332 ppm2      8.038 CV     1
 ASSI {  843}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.800     1.000     1.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.333 ppm2      3.734 CV     1
 ASSI {  845}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   845 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.282 ppm2      9.162 CV     1
 ASSI {  846}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.279 ppm2      7.371 CV     1
 ASSI {  847}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD% )
      2.700     0.900     0.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.279 ppm2      6.906 CV     1
 ASSI {  848}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.280 ppm2      1.773 CV     1
 ASSI {  849}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.000     3.000     3.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.282 ppm2      1.548 CV     1
 ASSI {  850}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.278 ppm2      1.307 CV     1
 ASSI {  851}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      3.000     1.200     1.200 peak   851 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.284 ppm2      0.439 CV     1
 ASSI {  855}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.961 ppm2      7.361 CV     1
 ASSI {  856}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak   856 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.956 ppm2      5.140 CV     1
 ASSI {  857}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HD1 ))
      2.300     0.600     0.600 peak   857 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.959 ppm2      3.463 CV     1
 ASSI {  860}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      2.300     0.600     0.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.958 ppm2      1.357 CV     1
 ASSI {  861}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.600     0.800     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.960 ppm2      0.631 CV     1
 ASSI {  862}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      2.900     1.100     1.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.959 ppm2      0.443 CV     1
 ASSI {  876}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.464 ppm2      9.227 CV     1
 ASSI {  877}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      3.100     1.200     1.200 peak   877 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.464 ppm2      7.863 CV     1
 ASSI {  880}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.089 ppm2      7.224 CV     1
 ASSI {  882}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.500     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.087 ppm2      1.879 CV     1
 ASSI {  883}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG1 ))
      2.900     1.000     1.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.086 ppm2      1.642 CV     1
 ASSI {  884}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.900     1.100     1.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.086 ppm2      0.633 CV     1
 ASSI {  888}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.174 ppm2      7.623 CV     1
 ASSI {  889}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.400     0.700     0.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.174 ppm2      1.749 CV     1
 ASSI {  890}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG1 ))
      3.100     1.200     1.200 peak   890 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.174 ppm2      1.369 CV     1
 ASSI {  891}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     1.100     1.100 peak   891 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.174 ppm2      1.103 CV     1
 ASSI {  893}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.500     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.872 ppm2      3.507 CV     1
 ASSI {  894}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.500     1.500     1.500 peak   894 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.876 ppm2      2.072 CV     1
 ASSI {  896}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 57   and name HD1%)
      2.500     0.800     0.800 peak   896 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.873 ppm2      0.871 CV     1
 ASSI {  897}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.871 ppm2      9.416 CV     1
 ASSI {  898}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.870 ppm2      8.718 CV     1
 ASSI {  899}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.871 ppm2      8.537 CV     1
 ASSI {  900}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.872 ppm2      2.897 CV     1
 ASSI {  901}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.600     3.600     2.400 peak   901 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.872 ppm2      2.387 CV     1
 ASSI {  902}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 57   and name HD2%)
      2.600     0.800     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.869 ppm2      0.489 CV     1
 ASSI {  903}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.253 ppm2      8.564 CV     1
 ASSI {  904}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.253 ppm2      7.496 CV     1
 ASSI {  905}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD2 ))
      2.800     1.000     1.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.252 ppm2      7.107 CV     1
 ASSI {  906}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     3.100     2.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.256 ppm2      5.511 CV     1
 ASSI {  907}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.900     1.000     1.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.254 ppm2      3.285 CV     1
 ASSI {  908}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.300     3.300     2.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.254 ppm2      2.742 CV     1
 ASSI {  909}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.600     3.600     2.400 peak   909 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.257 ppm2      2.572 CV     1
 ASSI {  912}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.988 ppm2      7.345 CV     1
 ASSI {  913}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.400     1.400 peak   913 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.993 ppm2      7.085 CV     1
 ASSI {  914}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB1 ))
      2.400     0.700     0.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.988 ppm2      3.502 CV     1
 ASSI {  915}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.900     1.100     1.100 peak   915 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.986 ppm2      2.493 CV     1
 ASSI {  916}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HG  ))
      2.600     0.800     0.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.985 ppm2      2.253 CV     1
 ASSI {  917}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 92   and name HG1 ))
      3.700     1.800     1.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.985 ppm2      2.022 CV     1
 ASSI {  918}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 93   and name HD1%)
      2.800     1.000     1.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.987 ppm2      1.279 CV     1
 ASSI {  920}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 93   and name HD2%)
      3.200     1.300     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.986 ppm2      1.193 CV     1
 ASSI {  932}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD1 ))
      2.900     1.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.559 ppm2      6.813 CV     1
 ASSI {  933}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.900     1.100     1.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.560 ppm2      3.441 CV     1
 ASSI {  934}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.560 ppm2      2.342 CV     1
 ASSI {  935}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.451 ppm2      7.459 CV     1
 ASSI {  936}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.600     0.800     0.800 peak   936 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.452 ppm2      2.080 CV     1
 ASSI {  937}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HD1 ))
      2.400     0.700     0.700 peak   937 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.451 ppm2      1.733 CV     1
 ASSI {  938}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.500     1.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.452 ppm2      1.543 CV     1
 ASSI {  939}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      2.600     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.452 ppm2      0.909 CV     1
 ASSI {  941}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.240 ppm2      8.189 CV     1
 ASSI {  942}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.200     1.200 peak   942 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.242 ppm2      7.576 CV     1
 ASSI {  943}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.242 ppm2      5.930 CV     1
 ASSI {  944}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.300     3.300     2.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.239 ppm2      4.707 CV     1
 OR {  944}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI {  945}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.600     0.800     0.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.236 ppm2      3.758 CV     1
 ASSI {  946}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.200     1.200 peak   946 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.239 ppm2      3.287 CV     1
 ASSI {  947}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.700     0.900     0.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.239 ppm2      2.374 CV     1
 ASSI {  948}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.203 ppm2      7.985 CV     1
 ASSI {  950}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.700     0.900     0.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.202 ppm2      1.965 CV     1
 ASSI {  951}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.174 ppm2      8.368 CV     1
 ASSI {  953}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.175 ppm2      1.717 CV     1
 OR {  953}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  954}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.900     1.100     1.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.174 ppm2      1.295 CV     1
 ASSI {  955}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.000     3.000     3.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.175 ppm2      0.908 CV     1
 ASSI {  966}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.304 ppm2      8.312 CV     1
 ASSI {  967}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.800     0.800 peak   967 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.306 ppm2      8.107 CV     1
 ASSI {  969}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.306 ppm2      1.739 CV     1
 OR {  969}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI {  970}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG1 ))
      3.200     1.300     1.300 peak   970 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.307 ppm2      1.378 CV     1
 ASSI {  971}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.900     1.100     1.100 peak   971 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.177 ppm2      7.517 CV     1
 ASSI {  972}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.176 ppm2      6.601 CV     1
 ASSI {  973}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.100     3.100     2.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.178 ppm2      3.750 CV     1
 ASSI {  975}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD1 ))
      3.600     1.600     1.600 peak   975 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.175 ppm2      3.107 CV     1
 ASSI {  981}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.744 ppm2      8.624 CV     1
 ASSI {  982}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.741 ppm2      8.362 CV     1
 ASSI {  983}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.300     3.300     2.700 peak   983 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.740 ppm2      7.717 CV     1
 ASSI {  984}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      2.400     0.700     0.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.740 ppm2      1.649 CV     1
 ASSI {  985}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      2.600     0.800     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.740 ppm2      1.363 CV     1
 ASSI {  987}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      2.600     0.900     0.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.741 ppm2      0.734 CV     1
 ASSI {  988}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.100     1.100 peak   988 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.738 ppm2      8.149 CV     1
 ASSI {  990}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.000     1.100     1.100 peak   990 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.735 ppm2      2.331 CV     1
 ASSI {  996}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak   996 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.462 ppm2      8.536 CV     1
 ASSI {  997}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.460 ppm2      7.595 CV     1
 ASSI {  998}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     3.000     3.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.464 ppm2      7.283 CV     1
 ASSI {  999}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     2.900     3.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.464 ppm2      3.894 CV     1
 ASSI { 1000}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.500     1.500     1.500 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.461 ppm2      1.962 CV     1
 ASSI { 1001}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HG  ))
      3.500     3.500     2.500 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.462 ppm2      1.572 CV     1
 ASSI { 1002}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.460 ppm2      1.147 CV     1
 ASSI { 1003}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.461 ppm2      0.849 CV     1
 ASSI { 1004}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HB% )
      2.600     0.800     0.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.461 ppm2      0.529 CV     1
 ASSI { 1021}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.669 ppm2      9.250 CV     1
 ASSI { 1022}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      2.700     0.900     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.665 ppm2      6.673 CV     1
 ASSI { 1023}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.300     1.300     1.300 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.668 ppm2      3.062 CV     1
 ASSI { 1024}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.500     0.800     0.800 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.670 ppm2      1.871 CV     1
 ASSI { 1025}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.669 ppm2      1.668 CV     1
 ASSI { 1026}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.400     1.400     1.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.669 ppm2      1.442 CV     1
 ASSI { 1027}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.636 ppm2      8.977 CV     1
 ASSI { 1028}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.900     1.100     1.100 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.636 ppm2      3.436 CV     1
 ASSI { 1031}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.176 ppm2      9.242 CV     1
 ASSI { 1032}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.177 ppm2      8.406 CV     1
 ASSI { 1033}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.177 ppm2      4.635 CV     1
 ASSI { 1034}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.900     2.900     3.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      6.175 ppm2      3.267 CV     1
 ASSI { 1035}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.600     0.800     0.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.177 ppm2      3.034 CV     1
 ASSI { 1036}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.176 ppm2      2.664 CV     1
 ASSI { 1037}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 40   and name HB  ))
      2.800     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.181 ppm2      2.167 CV     1
 ASSI { 1038}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.800     2.800     3.200 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.178 ppm2      1.856 CV     1
 ASSI { 1039}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      3.200     1.300     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.176 ppm2      1.674 CV     1
 ASSI { 1040}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.300     1.400     1.400 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.177 ppm2      1.429 CV     1
 ASSI { 1042}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.800     1.000     1.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      6.177 ppm2      0.858 CV     1
 ASSI { 1054}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
      2.500     0.800     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.638 ppm2      5.518 CV     1
 ASSI { 1055}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.635 ppm2      9.538 CV     1
 ASSI { 1056}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.634 ppm2      7.028 CV     1
 ASSI { 1057}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.636 ppm2      5.322 CV     1
 ASSI { 1061}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.500     0.800     0.800 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.504 ppm2      2.268 CV     1
 OR { 1061}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG  ))
 ASSI { 1062}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.900     1.000     1.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.506 ppm2      2.075 CV     1
 ASSI { 1066}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.420 ppm2      7.543 CV     1
 ASSI { 1067}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.422 ppm2      7.224 CV     1
 ASSI { 1068}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.420 ppm2      2.001 CV     1
 ASSI { 1069}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HD1 ))
      3.500     1.500     1.500 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.420 ppm2      1.438 CV     1
 ASSI { 1070}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.421 ppm2      1.043 CV     1
 ASSI { 1071}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 51   and name HD2%)
      3.000     1.100     1.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.421 ppm2      0.901 CV     1
 ASSI { 1072}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      3.200     1.300     1.300 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.418 ppm2      0.609 CV     1
 ASSI { 1077}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.925 ppm2      8.885 CV     1
 ASSI { 1078}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     2.900     3.100 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.928 ppm2      7.750 CV     1
 ASSI { 1079}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.923 ppm2      7.353 CV     1
 ASSI { 1080}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.922 ppm2      7.119 CV     1
 ASSI { 1083}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.200     3.200     2.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      3.924 ppm2      2.976 CV     1
 ASSI { 1084}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.900     1.000     1.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.925 ppm2      2.443 CV     1
 ASSI { 1085}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.922 ppm2      2.063 CV     1
 ASSI { 1086}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HB% )
      2.800     1.000     1.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.922 ppm2      1.311 CV     1
 ASSI { 1087}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 59   and name HG1%)
      2.800     1.000     1.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.923 ppm2      1.041 CV     1
 ASSI { 1090}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HG1 ))
      2.800     1.000     1.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.918 ppm2      2.646 CV     1
 ASSI { 1095}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.380 ppm2      9.249 CV     1
 ASSI { 1096}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.379 ppm2      8.407 CV     1
 ASSI { 1097}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      2.900     1.100     1.100 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.383 ppm2      6.667 CV     1
 ASSI { 1100}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
      2.600     0.800     0.800 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.382 ppm2      2.534 CV     1
 ASSI { 1101}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.900     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.379 ppm2      2.221 CV     1
 ASSI { 1102}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.380 ppm2      1.816 CV     1
 ASSI { 1103}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.600     1.600     1.600 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.380 ppm2      1.470 CV     1
 ASSI { 1104}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.381 ppm2      1.250 CV     1
 ASSI { 1116}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.000     3.000     3.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.750 ppm2      0.859 CV     1
 ASSI { 1119}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.624 ppm2      8.407 CV     1
 ASSI { 1121}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.600     0.900     0.900 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.624 ppm2      1.274 CV     1
 ASSI { 1122}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.625 ppm2      0.754 CV     1
 ASSI { 1123}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG  ))
      2.600     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.615 ppm2      1.666 CV     1
 ASSI { 1125}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.300     3.300     2.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.596 ppm2      3.780 CV     1
 ASSI { 1126}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.700     3.700     2.300 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.597 ppm2      2.279 CV     1
 ASSI { 1128}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.534 ppm2      8.147 CV     1
 ASSI { 1129}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.535 ppm2      1.665 CV     1
 ASSI { 1130}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG  ))
      2.800     1.000     1.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.534 ppm2      1.455 CV     1
 ASSI { 1131}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD1%)
      2.900     1.100     1.100 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.534 ppm2      0.855 CV     1
 ASSI { 1136}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.170 ppm2      6.859 CV     1
 ASSI { 1137}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.800     0.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.172 ppm2      1.550 CV     1
 ASSI { 1138}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      2.600     0.800     0.800 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.171 ppm2      1.343 CV     1
 ASSI { 1139}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      2.900     1.000     1.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.172 ppm2      1.113 CV     1
 ASSI { 1140}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.172 ppm2      0.948 CV     1
 ASSI { 1150}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.484 ppm2      8.381 CV     1
 ASSI { 1151}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.489 ppm2      8.129 CV     1
 ASSI { 1152}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.488 ppm2      7.745 CV     1
 ASSI { 1153}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.488 ppm2      7.132 CV     1
 ASSI { 1154}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 28   and name HD% )
      3.100     3.100     2.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.486 ppm2      6.626 CV     1
 ASSI { 1156}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.500     0.800     0.800 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.486 ppm2      2.942 CV     1
 ASSI { 1157}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.486 ppm2      2.749 CV     1
 ASSI { 1160}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 60   and name HB% )
      3.000     1.100     1.100 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.485 ppm2      1.305 CV     1
 ASSI { 1161}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      3.300     1.400     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.488 ppm2      1.165 CV     1
 ASSI { 1162}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
      2.600     0.800     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.487 ppm2      0.844 CV     1
 ASSI { 1171}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.954 ppm2      2.893 CV     1
 ASSI { 1172}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.700     0.900     0.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.951 ppm2      2.376 CV     1
 ASSI { 1173}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.952 ppm2      2.089 CV     1
 ASSI { 1174}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      3.400     1.500     1.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.950 ppm2      1.284 CV     1
 ASSI { 1175}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.800     1.000     1.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.950 ppm2      0.873 CV     1
 ASSI { 1176}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 57   and name HD2%)
      2.900     1.000     1.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.952 ppm2      0.509 CV     1
 ASSI { 1177}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.950 ppm2      8.542 CV     1
 ASSI { 1178}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.949 ppm2      3.507 CV     1
 ASSI { 1194}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.329 ppm2      7.828 CV     1
 ASSI { 1195}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.800     1.000     1.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.327 ppm2      3.089 CV     1
 ASSI { 1196}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.327 ppm2      2.756 CV     1
 ASSI { 1197}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.288 ppm2      1.391 CV     1
 ASSI { 1198}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.900     0.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.282 ppm2      9.040 CV     1
 ASSI { 1200}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.900     1.000     1.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.283 ppm2      2.954 CV     1
 ASSI { 1201}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.282 ppm2      2.506 CV     1
 ASSI { 1203}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.562 ppm2      9.468 CV     1
 ASSI { 1204}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.562 ppm2      9.256 CV     1
 ASSI { 1206}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     3.600     2.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.564 ppm2      5.307 CV     1
 ASSI { 1207}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.563 ppm2      4.775 CV     1
 ASSI { 1208}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.000     1.100     1.100 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.562 ppm2      3.047 CV     1
 ASSI { 1209}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.700     0.900     0.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.564 ppm2      2.719 CV     1
 ASSI { 1210}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.562 ppm2      2.251 CV     1
 ASSI { 1211}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.562 ppm2      1.899 CV     1
 ASSI { 1212}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.562 ppm2      1.391 CV     1
 ASSI { 1213}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     2.900     3.100 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.558 ppm2      1.650 CV     1
 ASSI { 1221}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.188 ppm2      8.195 CV     1
 ASSI { 1222}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.187 ppm2      7.590 CV     1
 ASSI { 1224}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.900     1.100     1.100 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.188 ppm2      3.169 CV     1
 ASSI { 1225}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.188 ppm2      2.601 CV     1
 ASSI { 1226}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
      3.100     1.200     1.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.189 ppm2      2.341 CV     1
 ASSI { 1227}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     2.800     3.200 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.188 ppm2      2.016 CV     1
 ASSI { 1228}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.800     1.000     1.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.180 ppm2      7.116 CV     1
 ASSI { 1240}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.900     1.000     1.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.455 ppm2      1.452 CV     1
 ASSI { 1241}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.000     1.100     1.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.453 ppm2      8.133 CV     1
 ASSI { 1244}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.400     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.189 ppm2      8.859 CV     1
 ASSI { 1245}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.188 ppm2      8.636 CV     1
 ASSI { 1246}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.800     1.000     1.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.189 ppm2      3.253 CV     1
 ASSI { 1247}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.188 ppm2      2.088 CV     1
 ASSI { 1248}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG  ))
      3.900     1.900     1.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.189 ppm2      1.631 CV     1
 ASSI { 1253}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.900     0.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.181 ppm2      9.310 CV     1
 ASSI { 1265}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.800     1.000     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.012 ppm2      7.522 CV     1
 ASSI { 1266}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HD1 ))
      2.700     0.900     0.900 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.010 ppm2      3.517 CV     1
 ASSI { 1267}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HD2 ))
      2.700     0.900     0.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.013 ppm2      3.213 CV     1
 ASSI { 1268}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.700     0.900     0.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.011 ppm2      2.123 CV     1
 ASSI { 1269}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.012 ppm2      1.729 CV     1
 ASSI { 1279}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.538 ppm2      7.616 CV     1
 ASSI { 1280}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.900     1.100     1.100 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.539 ppm2      4.488 CV     1
 ASSI { 1282}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 92   and name HB2 ))
      3.400     1.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.534 ppm2      2.473 CV     1
 ASSI { 1283}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 91   and name HB1 ))
      2.700     0.900     0.900 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.537 ppm2      1.989 CV     1
 ASSI { 1291}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.511 ppm2      8.984 CV     1
 ASSI { 1292}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD21))
      2.900     1.000     1.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      4.513 ppm2      8.171 CV     1
 ASSI { 1293}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.509 ppm2      7.540 CV     1
 ASSI { 1295}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.000     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.509 ppm2      2.819 CV     1
 ASSI { 1296}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.900     0.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.510 ppm2      2.255 CV     1
 ASSI { 1297}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.800     3.800     2.200 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.512 ppm2      1.205 CV     1
 ASSI { 1298}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.509 ppm2      0.346 CV     1
 ASSI { 1314}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HD2 ))
      2.300     0.600     0.600 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.517 ppm2      3.212 CV     1
 ASSI { 1323}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.211 ppm2      7.511 CV     1
 ASSI { 1326}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.500     1.500     1.500 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.212 ppm2      4.167 CV     1
 ASSI { 1328}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.900     1.000     1.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.211 ppm2      2.219 CV     1
 ASSI { 1329}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HG2 ))
      2.500     0.800     0.800 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.210 ppm2      1.900 CV     1
 ASSI { 1342}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.134 ppm2      8.714 CV     1
 ASSI { 1343}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.136 ppm2      7.557 CV     1
 ASSI { 1344}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.700     0.900     0.900 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.135 ppm2      6.880 CV     1
 ASSI { 1347}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 45   and name HD1 ))
      2.600     0.900     0.900 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.134 ppm2      3.456 CV     1
 ASSI { 1349}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      2.500     0.800     0.800 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      5.134 ppm2      1.367 CV     1
 ASSI { 1371}
   (( segid "    " and resid 85   and name HD1 ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.591 ppm2      8.589 CV     1
 ASSI { 1372}
   (( segid "    " and resid 85   and name HD1 ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.593 ppm2      4.165 CV     1
 ASSI { 1373}
   (( segid "    " and resid 85   and name HD1 ))
   (( segid "    " and resid 85   and name HD2 ))
      2.100     0.500     0.500 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.587 ppm2      2.898 CV     1
 ASSI { 1374}
   (( segid "    " and resid 85   and name HD1 ))
   (( segid "    " and resid 85   and name HG1 ))
      2.400     0.700     0.700 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.588 ppm2      1.894 CV     1
 ASSI { 1383}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.700     0.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.898 ppm2      8.584 CV     1
 ASSI { 1384}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.905 ppm2      6.600 CV     1
 ASSI { 1393}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.545 ppm2      4.394 CV     1
 ASSI { 1395}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.400     1.500     1.500 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.545 ppm2      1.687 CV     1
 ASSI { 1399}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.899 ppm2      4.391 CV     1
 ASSI { 1402}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 81   and name HB2 ))
      3.400     3.400     2.600 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.900 ppm2      2.639 CV     1
 ASSI { 1405}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.899 ppm2      1.687 CV     1
 ASSI { 1407}
   (( segid "    " and resid 85   and name HD2 ))
   (  segid "    " and resid 84   and name HD2%)
      3.800     1.800     1.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.893 ppm2      0.875 CV     1
 ASSI { 1420}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.746 ppm2      8.507 CV     1
 ASSI { 1421}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.743 ppm2      6.859 CV     1
 ASSI { 1422}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.000     3.000     3.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.747 ppm2      1.177 CV     1
 ASSI { 1423}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.676 ppm2      8.509 CV     1
 ASSI { 1424}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.675 ppm2      6.855 CV     1
 ASSI { 1429}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     3.000     3.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      3.965 ppm2      4.562 CV     1
 ASSI { 1430}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.958 ppm2      8.739 CV     1
 ASSI { 1431}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.958 ppm2      8.184 CV     1
 ASSI { 1448}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.244 ppm2      7.829 CV     1
 ASSI { 1449}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.246 ppm2      7.451 CV     1
 ASSI { 1451}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 34   and name HA2 ))
      2.300     0.600     0.600 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.241 ppm2      3.498 CV     1
 ASSI { 1452}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 35   and name HE1 ))
      3.000     3.000     3.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.237 ppm2      3.065 CV     1
 ASSI { 1453}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.241 ppm2      2.208 CV     1
 ASSI { 1456}
   (( segid "    " and resid 50   and name HA1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.113 ppm2      8.132 CV     1
 ASSI { 1459}
   (( segid "    " and resid 50   and name HA1 ))
   (( segid "    " and resid 50   and name HA2 ))
      2.400     0.700     0.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.110 ppm2      3.881 CV     1
 ASSI { 1462}
   (( segid "    " and resid 50   and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.880 ppm2      8.122 CV     1
 ASSI { 1464}
   (( segid "    " and resid 50   and name HA2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     3.100     2.900 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      3.881 ppm2      4.516 CV     1
 ASSI { 1468}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.495 ppm2      7.829 CV     1
 ASSI { 1469}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.497 ppm2      7.460 CV     1
 ASSI { 1471}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.494 ppm2      1.896 CV     1
 ASSI { 1472}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.486 ppm2      2.241 CV     1
 ASSI { 1473}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.033 ppm2      9.250 CV     1
 ASSI { 1474}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD% )
      2.600     0.800     0.800 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.028 ppm2      6.659 CV     1
 ASSI { 1476}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
      2.400     0.700     0.700 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.029 ppm2      4.633 CV     1
 ASSI { 1477}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.100     0.500     0.500 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.030 ppm2      2.668 CV     1
 ASSI { 1479}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      2.900     2.900     3.100 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.033 ppm2      0.755 CV     1
 ASSI { 1482}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.665 ppm2      9.251 CV     1
 ASSI { 1483}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.663 ppm2      8.421 CV     1
 ASSI { 1484}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD% )
      2.600     0.800     0.800 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.668 ppm2      6.677 CV     1
 ASSI { 1486}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     3.100     2.900 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.668 ppm2      4.638 CV     1
 ASSI { 1488}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      3.200     3.200     2.800 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.664 ppm2      1.841 CV     1
 ASSI { 1489}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      3.500     3.500     2.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.665 ppm2      0.754 CV     1
 ASSI { 1504}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 15   and name HG1 ))
      2.900     1.000     1.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.107 ppm2      1.386 CV     1
 ASSI { 1518}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.424 ppm2      0.928 CV     1
 ASSI { 1524}
   (( segid "    " and resid 31   and name HD1 ))
   (  segid "    " and resid 36   and name HG1%)
      2.700     0.900     0.900 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.118 ppm2      0.415 CV     1
 ASSI { 1525}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.105 ppm2      4.769 CV     1
 ASSI { 1526}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 87   and name HB1 ))
      2.900     2.900     3.100 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.103 ppm2      2.129 CV     1
 ASSI { 1527}
   (( segid "    " and resid 31   and name HD1 ))
   (  segid "    " and resid 73   and name HD1%)
      3.300     3.300     2.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.109 ppm2      0.712 CV     1
 ASSI { 1528}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.089 ppm2      6.587 CV     1
 ASSI { 1532}
   (( segid "    " and resid 86   and name HD1 ))
   (  segid "    " and resid 82   and name HG2%)
      2.100     2.100     3.900 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.091 ppm2      0.980 CV     1
 ASSI { 1558}
   (( segid "    " and resid 49   and name HD1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.169 ppm2      3.927 CV     1
 ASSI { 1559}
   (( segid "    " and resid 49   and name HD1 ))
   (( segid "    " and resid 49   and name HB1 ))
      2.800     1.000     1.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.169 ppm2      1.838 CV     1
 ASSI { 1560}
   (( segid "    " and resid 49   and name HD1 ))
   (( segid "    " and resid 49   and name HG1 ))
      2.600     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.170 ppm2      1.642 CV     1
 ASSI { 1561}
   (( segid "    " and resid 49   and name HD1 ))
   (  segid "    " and resid 44   and name HG2%)
      2.100     2.100     3.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.172 ppm2      0.619 CV     1
 ASSI { 1562}
   (( segid "    " and resid 49   and name HD1 ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     3.200     2.800 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.166 ppm2      4.098 CV     1
 ASSI { 1564}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.300     1.300 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.272 ppm2      7.107 CV     1
 ASSI { 1567}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 62   and name HE% )
      3.500     1.600     1.600 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.264 ppm2      6.876 CV     1
 ASSI { 1568}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.262 ppm2      4.508 CV     1
 ASSI { 1569}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HB2 ))
      1.900     0.500     0.500 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.263 ppm2      2.072 CV     1
 ASSI { 1570}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 93   and name HD1%)
      2.700     0.900     0.900 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.266 ppm2      1.306 CV     1
 ASSI { 1573}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HB1 ))
      2.000     0.500     0.500 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.077 ppm2      2.266 CV     1
 OR { 1573}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HG  ))
 ASSI { 1574}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 93   and name HD1%)
      2.300     0.700     0.700 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.076 ppm2      1.297 CV     1
 ASSI { 1577}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.662 ppm2      8.153 CV     1
 ASSI { 1580}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 51   and name HD1%)
      3.000     1.100     1.100 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.658 ppm2      0.870 CV     1
 ASSI { 1591}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.255 ppm2      9.307 CV     1
 ASSI { 1593}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.253 ppm2      2.082 CV     1
 ASSI { 1594}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 29   and name HB1 ))
      3.300     1.400     1.400 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.255 ppm2      1.878 CV     1
 ASSI { 1595}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      2.900     1.000     1.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.252 ppm2      1.664 CV     1
 OR { 1595}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1596}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 29   and name HG1 ))
      2.800     1.000     1.000 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.253 ppm2      1.407 CV     1
 ASSI { 1599}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     2.900     3.100 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.968 ppm2      8.402 CV     1
 ASSI { 1600}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.966 ppm2      4.653 CV     1
 ASSI { 1602}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HG1 ))
      3.200     1.300     1.300 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.966 ppm2      1.451 CV     1
 ASSI { 1611}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.078 ppm2      9.310 CV     1
 ASSI { 1613}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.081 ppm2      4.757 CV     1
 ASSI { 1615}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.800     0.900     0.900 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.075 ppm2      2.967 CV     1
 ASSI { 1616}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      3.200     3.200     2.800 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.083 ppm2      1.820 CV     1
 ASSI { 1620}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 19   and name HB  ))
      3.900     1.900     1.900 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.739 ppm2      4.752 CV     1
 OR { 1620}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1621}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 44   and name HG2%)
      2.400     0.700     0.700 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.737 ppm2      0.602 CV     1
 ASSI { 1622}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.726 ppm2      8.538 CV     1
 ASSI { 1623}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.736 ppm2      8.195 CV     1
 ASSI { 1625}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 48   and name HE1 ))
      3.300     1.400     1.400 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.734 ppm2      2.956 CV     1
 ASSI { 1627}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.000     0.500     0.500 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.736 ppm2      1.201 CV     1
 ASSI { 1628}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 53   and name HD1%)
      2.300     0.700     0.700 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.735 ppm2      0.906 CV     1
 ASSI { 1629}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 44   and name HG1%)
      2.900     1.100     1.100 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.736 ppm2      0.447 CV     1
 ASSI { 1630}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HG11))
      2.300     0.700     0.700 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.634 ppm2      1.902 CV     1
 ASSI { 1632}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.400     0.700     0.700 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.632 ppm2      1.178 CV     1
 ASSI { 1633}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 57   and name HD2%)
      3.200     1.300     1.300 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.632 ppm2      0.513 CV     1
 ASSI { 1637}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.301 ppm2      8.726 CV     1
 ASSI { 1639}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.299 ppm2      4.648 CV     1
 ASSI { 1641}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.400     3.400     2.600 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.302 ppm2      2.273 CV     1
 ASSI { 1645}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 72   and name HG12))
      2.700     0.900     0.900 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.300 ppm2      0.844 CV     1
 ASSI { 1646}
   (( segid "    " and resid 72   and name HB  ))
   (  segid "    " and resid 72   and name HG2%)
      2.300     0.700     0.700 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.301 ppm2      0.435 CV     1
 ASSI { 1647}
   (( segid "    " and resid 72   and name HB  ))
   (  segid "    " and resid 72   and name HD1%)
      2.600     0.800     0.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.297 ppm2     -0.150 CV     1
 ASSI { 1648}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.199 ppm2      8.560 CV     1
 ASSI { 1649}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.196 ppm2      8.208 CV     1
 ASSI { 1652}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 53   and name HD1%)
      3.200     1.300     1.300 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.196 ppm2      0.893 CV     1
 ASSI { 1653}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
      3.700     1.700     1.700 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.194 ppm2      0.473 CV     1
 ASSI { 1656}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.510 ppm2      9.422 CV     1
 ASSI { 1659}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.509 ppm2      2.397 CV     1
 ASSI { 1660}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.507 ppm2      2.089 CV     1
 ASSI { 1661}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD% )
      2.600     0.900     0.900 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.503 ppm2      6.848 CV     1
 ASSI { 1667}
   (( segid "    " and resid 100  and name HE1 ))
   (( segid "    " and resid 97   and name HB1 ))
      2.900     1.100     1.100 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.960 ppm2      1.998 CV     1
 ASSI { 1671}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.883 ppm2      9.415 CV     1
 ASSI { 1672}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      2.700     0.900     0.900 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.887 ppm2      6.872 CV     1
 ASSI { 1674}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 11   and name HD21))
      3.300     1.300     1.300 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.718 ppm2      8.165 CV     1
 ASSI { 1675}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.400     1.400 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.713 ppm2      1.572 CV     1
 ASSI { 1685}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.649 ppm2      8.162 CV     1
 ASSI { 1686}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      3.000     1.200     1.200 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.649 ppm2      7.688 CV     1
 ASSI { 1690}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.100     2.100     3.900 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.657 ppm2      2.967 CV     1
 ASSI { 1694}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.130 ppm2      3.814 CV     1
 ASSI { 1695}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     0.700     0.700 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.119 ppm2      7.282 CV     1
 ASSI { 1705}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.093 ppm2      8.859 CV     1
 ASSI { 1706}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
      2.400     0.700     0.700 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.096 ppm2      4.617 CV     1
 ASSI { 1707}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.000     0.500     0.500 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.094 ppm2      1.287 CV     1
 ASSI { 1708}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 39   and name HD1%)
      3.100     1.200     1.200 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.095 ppm2      0.712 CV     1
 ASSI { 1709}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.200     1.200     1.200 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.965 ppm2      8.523 CV     1
 ASSI { 1710}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.962 ppm2      7.270 CV     1
 ASSI { 1711}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HB2 ))
      2.000     0.500     0.500 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.960 ppm2      1.135 CV     1
 ASSI { 1712}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.960 ppm2      0.846 CV     1
 ASSI { 1713}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG  ))
      2.700     0.900     0.900 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.957 ppm2      1.576 CV     1
 ASSI { 1714}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 57   and name HD2%)
      2.400     0.700     0.700 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.957 ppm2      0.490 CV     1
 ASSI { 1717}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.282 ppm2      8.840 CV     1
 ASSI { 1721}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.129 ppm2      8.529 CV     1
 ASSI { 1723}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.128 ppm2      0.851 CV     1
 ASSI { 1725}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
      3.200     1.300     1.300 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.122 ppm2      1.583 CV     1
 ASSI { 1726}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HD2%)
      3.200     1.300     1.300 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.123 ppm2      0.493 CV     1
 ASSI { 1731}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.000     1.000 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.243 ppm2      8.579 CV     1
 ASSI { 1732}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      3.300     1.400     1.400 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.224 ppm2      6.925 CV     1
 ASSI { 1735}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     2.600     3.400 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.227 ppm2      3.667 CV     1
 ASSI { 1736}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.200     2.200     3.800 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.218 ppm2      8.202 CV     1
 ASSI { 1737}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 85   and name HD2 ))
      3.100     1.200     1.200 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.213 ppm2      2.909 CV     1
 OR { 1737}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 1739}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
      3.000     1.100     1.100 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.145 ppm2      8.197 CV     1
 ASSI { 1743}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.937 ppm2      8.362 CV     1
 ASSI { 1744}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     2.400     3.600 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.934 ppm2      7.414 CV     1
 ASSI { 1745}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 81   and name HB2 ))
      2.200     0.600     0.600 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.935 ppm2      2.665 CV     1
 ASSI { 1746}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.662 ppm2      8.361 CV     1
 ASSI { 1747}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.662 ppm2      4.773 CV     1
 ASSI { 1749}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.300     1.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.658 ppm2      7.409 CV     1
 ASSI { 1753}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HD22))
      3.300     1.400     1.400 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.115 ppm2      6.867 CV     1
 ASSI { 1756}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.112 ppm2      7.525 CV     1
 ASSI { 1757}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HB2 ))
      2.400     0.700     0.700 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.113 ppm2      1.706 CV     1
 ASSI { 1759}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HD22))
      3.300     1.400     1.400 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.711 ppm2      6.875 CV     1
 ASSI { 1760}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      2.900     1.100     1.100 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.707 ppm2      7.518 CV     1
 ASSI { 1763}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     2.800     3.200 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.707 ppm2      3.910 CV     1
 ASSI { 1766}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.622 ppm2      8.863 CV     1
 ASSI { 1767}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.626 ppm2      8.644 CV     1
 ASSI { 1769}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.900     0.900 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.628 ppm2      4.921 CV     1
 ASSI { 1770}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     0.900     0.900 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.624 ppm2      2.096 CV     1
 ASSI { 1771}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HG11))
      2.600     0.800     0.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.621 ppm2      1.092 CV     1
 OR { 1771}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HG12))
 ASSI { 1772}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 72   and name HG2%)
      3.500     1.500     1.500 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.618 ppm2      0.424 CV     1
 ASSI { 1779}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.164 ppm2      7.603 CV     1
 ASSI { 1781}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.165 ppm2      2.600 CV     1
 ASSI { 1782}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      2.700     2.700     3.300 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.166 ppm2      2.341 CV     1
 ASSI { 1783}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.602 ppm2      7.580 CV     1
 ASSI { 1786}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name HG1 ))
      3.500     1.500     1.500 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.601 ppm2      2.338 CV     1
 ASSI { 1789}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.100     1.100 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.772 ppm2      9.165 CV     1
 ASSI { 1790}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.772 ppm2      7.343 CV     1
 ASSI { 1791}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 25   and name HD% )
      2.100     2.100     3.900 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.770 ppm2      6.892 CV     1
 ASSI { 1793}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.773 ppm2      1.306 CV     1
 ASSI { 1796}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.306 ppm2      9.155 CV     1
 ASSI { 1797}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD% )
      2.800     1.000     1.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.301 ppm2      6.906 CV     1
 ASSI { 1814}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.068 ppm2      8.586 CV     1
 ASSI { 1817}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HD1 ))
      2.800     0.900     0.900 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.069 ppm2      3.597 CV     1
 ASSI { 1818}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
      3.900     1.900     1.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.072 ppm2      3.192 CV     1
 ASSI { 1819}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HD2 ))
      3.600     1.600     1.600 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.072 ppm2      2.913 CV     1
 ASSI { 1820}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.000     0.500     0.500 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.068 ppm2      1.475 CV     1
 ASSI { 1821}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 84   and name HD1%)
      2.700     0.900     0.900 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.067 ppm2      1.086 CV     1
 ASSI { 1822}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 84   and name HD2%)
      2.600     0.800     0.800 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.065 ppm2      0.878 CV     1
 ASSI { 1824}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 97   and name HB2 ))
      2.800     1.000     1.000 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.028 ppm2      1.820 CV     1
 ASSI { 1831}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG  ))
      2.400     0.700     0.700 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.480 ppm2      1.800 CV     1
 ASSI { 1832}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      2.300     0.700     0.700 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.471 ppm2      8.584 CV     1
 ASSI { 1835}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HD1 ))
      2.200     0.600     0.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.472 ppm2      3.595 CV     1
 ASSI { 1836}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HD2 ))
      3.000     1.100     1.100 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.471 ppm2      2.903 CV     1
 ASSI { 1838}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD1%)
      2.500     0.800     0.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.471 ppm2      1.078 CV     1
 ASSI { 1839}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
      3.300     1.300     1.300 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.473 ppm2      0.883 CV     1
 ASSI { 1842}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 8    and name HB  ))
      3.300     1.400     1.400 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.988 ppm2      1.844 CV     1
 ASSI { 1843}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.100     0.500     0.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.975 ppm2      2.710 CV     1
 ASSI { 1845}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      2.300     0.700     0.700 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.976 ppm2      0.880 CV     1
 ASSI { 1846}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.966 ppm2      8.737 CV     1
 ASSI { 1847}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 17   and name HD% )
      2.700     0.900     0.900 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.971 ppm2      7.039 CV     1
 ASSI { 1849}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.716 ppm2      9.576 CV     1
 ASSI { 1850}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.692 ppm2      7.026 CV     1
 ASSI { 1853}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 26   and name HG2%)
      2.800     1.000     1.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.695 ppm2      1.200 CV     1
 ASSI { 1857}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.300     1.300 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.238 ppm2     10.154 CV     1
 ASSI { 1858}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD% )
      2.600     0.800     0.800 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.240 ppm2      6.867 CV     1
 ASSI { 1865}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.240 ppm2      8.079 CV     1
 ASSI { 1867}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.900     0.900 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.238 ppm2      4.156 CV     1
 ASSI { 1868}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
      2.200     0.600     0.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.236 ppm2      3.183 CV     1
 ASSI { 1870}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 78   and name HD% )
      2.500     0.800     0.800 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.156 ppm2      6.917 CV     1
 ASSI { 1871}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.146 ppm2      8.071 CV     1
 ASSI { 1889}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.832 ppm2      8.371 CV     1
 ASSI { 1891}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.831 ppm2      4.164 CV     1
 ASSI { 1892}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HG11))
      2.600     0.900     0.900 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.833 ppm2      1.267 CV     1
 ASSI { 1893}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     0.800     0.800 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.834 ppm2      0.893 CV     1
 ASSI { 1894}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HD1%)
      3.300     1.300     1.300 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.837 ppm2      0.571 CV     1
 ASSI { 1908}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.400     1.400 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.440 ppm2      7.284 CV     1
 ASSI { 1910}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.442 ppm2      3.084 CV     1
 ASSI { 1913}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     3.300     2.700 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.089 ppm2      3.886 CV     1
 ASSI { 1914}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.091 ppm2      2.758 CV     1
 ASSI { 1915}
   (( segid "    " and resid 47   and name HB2 ))
   (  segid "    " and resid 47   and name HD% )
      2.600     0.900     0.900 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.082 ppm2      7.289 CV     1
 ASSI { 1926}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.811 ppm2      8.990 CV     1
 ASSI { 1927}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD21))
      2.300     0.700     0.700 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.807 ppm2      8.165 CV     1
 ASSI { 1928}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.815 ppm2      7.533 CV     1
 ASSI { 1929}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD22))
      3.300     1.400     1.400 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.814 ppm2      6.449 CV     1
 ASSI { 1930}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     1.600     1.600 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.811 ppm2      1.252 CV     1
 ASSI { 1931}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.810 ppm2      0.905 CV     1
 ASSI { 1932}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HD21))
      2.700     0.900     0.900 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.763 ppm2      7.548 CV     1
 ASSI { 1935}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.700     0.900     0.900 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.750 ppm2      1.610 CV     1
 ASSI { 1936}
   (( segid "    " and resid 63   and name HG1 ))
   (  segid "    " and resid 60   and name HB% )
      2.100     2.100     3.900 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.675 ppm2      1.308 CV     1
 ASSI { 1937}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.667 ppm2      8.891 CV     1
 ASSI { 1941}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.668 ppm2      1.050 CV     1
 ASSI { 1942}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.539 ppm2      8.410 CV     1
 ASSI { 1944}
   (( segid "    " and resid 27   and name HG1 ))
   (  segid "    " and resid 40   and name HG2%)
      3.600     3.600     2.400 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.535 ppm2      0.876 CV     1
 ASSI { 1945}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.523 ppm2      1.242 CV     1
 ASSI { 1947}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.448 ppm2      8.894 CV     1
 ASSI { 1950}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HG1 ))
      2.200     0.600     0.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.450 ppm2      2.675 CV     1
 ASSI { 1951}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HB1 ))
      3.000     1.100     1.100 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.449 ppm2      2.026 CV     1
 ASSI { 1952}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.900     1.000     1.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.450 ppm2      1.053 CV     1
 ASSI { 1953}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.257 ppm2      8.990 CV     1
 ASSI { 1954}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.260 ppm2      7.538 CV     1
 ASSI { 1956}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD21))
      3.000     1.200     1.200 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.253 ppm2      8.168 CV     1
 ASSI { 1957}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD22))
      3.500     1.500     1.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.253 ppm2      6.460 CV     1
 ASSI { 1958}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.256 ppm2      2.816 CV     1
 ASSI { 1962}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.225 ppm2      8.406 CV     1
 ASSI { 1963}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.700     1.700 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.222 ppm2      6.844 CV     1
 ASSI { 1964}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.225 ppm2      5.381 CV     1
 ASSI { 1965}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.400     1.400     1.400 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.219 ppm2      3.155 CV     1
 ASSI { 1966}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.300     0.600     0.600 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.223 ppm2      2.536 CV     1
 ASSI { 1970}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.870 ppm2      9.241 CV     1
 ASSI { 1972}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
      3.700     3.700     2.300 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.871 ppm2      3.014 CV     1
 ASSI { 1975}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.654 ppm2      9.248 CV     1
 ASSI { 1977}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      3.300     1.400     1.400 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.654 ppm2      3.237 CV     1
 ASSI { 1978}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HE1 ))
      3.900     1.900     1.900 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.656 ppm2      2.984 CV     1
 ASSI { 1979}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      2.200     0.600     0.600 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.656 ppm2      1.877 CV     1
 ASSI { 1980}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG1 ))
      2.500     0.800     0.800 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.655 ppm2      1.442 CV     1
 ASSI { 1981}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 40   and name HG2%)
      3.800     1.800     1.800 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.649 ppm2      0.895 CV     1
 ASSI { 1993}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.949 ppm2      7.459 CV     1
 ASSI { 1996}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.300     0.600     0.600 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.950 ppm2      2.509 CV     1
 ASSI { 1998}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.951 ppm2      1.975 CV     1
 ASSI { 2001}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.900     0.900 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.943 ppm2      7.760 CV     1
 ASSI { 2011}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.502 ppm2      7.771 CV     1
 ASSI { 2016}
   (( segid "    " and resid 97   and name HG1 ))
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.800     0.800 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.120 ppm2      4.197 CV     1
 ASSI { 2017}
   (( segid "    " and resid 97   and name HG1 ))
   (( segid "    " and resid 85   and name HG1 ))
      2.500     0.800     0.800 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.122 ppm2      1.890 CV     1
 ASSI { 2020}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 40   and name HB  ))
      3.300     3.300     2.700 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.870 ppm2      2.133 CV     1
 ASSI { 2023}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.530 ppm2      9.212 CV     1
 ASSI { 2024}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      2.000     0.500     0.500 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.530 ppm2      1.820 CV     1
 ASSI { 2025}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 70   and name HG2%)
      2.700     0.900     0.900 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.531 ppm2      0.887 CV     1
 ASSI { 2026}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.526 ppm2      4.792 CV     1
 ASSI { 2027}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 93   and name HD2%)
      3.700     3.700     2.300 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.522 ppm2      1.147 CV     1
 ASSI { 2036}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.800     1.000     1.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.965 ppm2      1.645 CV     1
 ASSI { 2042}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD21))
      2.600     0.800     0.800 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.498 ppm2      7.129 CV     1
 ASSI { 2045}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
      2.500     0.800     0.800 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.319 ppm2      1.068 CV     1
 ASSI { 2046}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 94   and name HA  ))
      2.400     0.700     0.700 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.280 ppm2      4.617 CV     1
 ASSI { 2053}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.863 ppm2      3.265 CV     1
 ASSI { 2054}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.862 ppm2      0.356 CV     1
 ASSI { 2055}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.852 ppm2      7.546 CV     1
 ASSI { 2057}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.720 ppm2      3.286 CV     1
 ASSI { 2058}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     1.300     1.300 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.723 ppm2      0.360 CV     1
 ASSI { 2062}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.800     1.000     1.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.381 ppm2      2.949 CV     1
 ASSI { 2072}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.366 ppm2      8.544 CV     1
 ASSI { 2073}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.000     1.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.361 ppm2      8.162 CV     1
 ASSI { 2079}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.302 ppm2      7.544 CV     1
 ASSI { 2082}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG1%)
      2.700     0.900     0.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.192 ppm2      0.917 CV     1
 ASSI { 2083}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.189 ppm2      9.606 CV     1
 ASSI { 2084}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.191 ppm2      8.912 CV     1
 ASSI { 2087}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.078 ppm2      8.548 CV     1
 ASSI { 2090}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.829 ppm2      8.727 CV     1
 ASSI { 2091}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD1 ))
      2.600     0.800     0.800 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.829 ppm2      2.387 CV     1
 ASSI { 2092}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.100     0.600     0.600 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.829 ppm2      1.259 CV     1
 ASSI { 2096}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     3.300     2.700 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.827 ppm2      2.855 CV     1
 ASSI { 2097}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.900     1.100     1.100 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.821 ppm2      1.459 CV     1
 ASSI { 2098}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.600     1.600 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.711 ppm2      8.123 CV     1
 ASSI { 2099}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 62   and name HD% )
      2.800     1.000     1.000 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.715 ppm2      7.145 CV     1
 ASSI { 2101}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.100     0.600     0.600 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.712 ppm2      1.066 CV     1
 ASSI { 2102}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.000     1.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.704 ppm2      8.892 CV     1
 ASSI { 2107}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.300     1.300 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.391 ppm2      9.200 CV     1
 ASSI { 2109}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.391 ppm2      2.516 CV     1
 ASSI { 2110}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.100     1.100 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.388 ppm2      1.936 CV     1
 ASSI { 2111}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      2.600     0.900     0.900 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.386 ppm2      0.406 CV     1
 ASSI { 2112}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.383 ppm2      7.759 CV     1
 ASSI { 2113}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 27   and name HG2 ))
      3.800     1.800     1.800 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.277 ppm2      2.188 CV     1
 OR { 2113}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 2114}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.259 ppm2      8.742 CV     1
 ASSI { 2118}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD1 ))
      2.800     1.000     1.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.258 ppm2      2.395 CV     1
 ASSI { 2120}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.400     0.700     0.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.262 ppm2      1.454 CV     1
 ASSI { 2121}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     3.800     2.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.260 ppm2      1.268 CV     1
 ASSI { 2122}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.075 ppm2      8.888 CV     1
 ASSI { 2123}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.056 ppm2      8.128 CV     1
 ASSI { 2124}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      2.500     0.800     0.800 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.056 ppm2      7.134 CV     1
 ASSI { 2126}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.052 ppm2      3.046 CV     1
 ASSI { 2130}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 59   and name HG1%)
      2.700     0.900     0.900 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.053 ppm2      1.058 CV     1
 ASSI { 2137}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.561 ppm2      7.373 CV     1
 ASSI { 2139}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.561 ppm2      3.952 CV     1
 ASSI { 2140}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.500     0.800     0.800 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.565 ppm2      0.629 CV     1
 ASSI { 2141}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG1%)
      2.500     0.800     0.800 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.565 ppm2      0.440 CV     1
 ASSI { 2156}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.158 ppm2      2.388 CV     1
 ASSI { 2160}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.220 ppm2      9.247 CV     1
 ASSI { 2161}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.222 ppm2      8.407 CV     1
 ASSI { 2164}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.218 ppm2      3.173 CV     1
 ASSI { 2166}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG1 ))
      3.100     1.200     1.200 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.218 ppm2      2.512 CV     1
 ASSI { 2169}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.210 ppm2      1.261 CV     1
 ASSI { 2171}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.148 ppm2      8.405 CV     1
 ASSI { 2173}
   (( segid "    " and resid 40   and name HB  ))
   (  segid "    " and resid 40   and name HG2%)
      2.700     0.900     0.900 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.144 ppm2      0.882 CV     1
 ASSI { 2175}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.095 ppm2      7.450 CV     1
 ASSI { 2179}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.947 ppm2      7.459 CV     1
 ASSI { 2182}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.923 ppm2      4.782 CV     1
 ASSI { 2183}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.200     1.300     1.300 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.929 ppm2      2.933 CV     1
 ASSI { 2184}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.200     0.600     0.600 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.924 ppm2      1.371 CV     1
 ASSI { 2187}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.362 ppm2      9.458 CV     1
 ASSI { 2188}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     3.100     2.900 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.363 ppm2      2.923 CV     1
 ASSI { 2189}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 36   and name HG1%)
      2.600     0.900     0.900 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.362 ppm2      0.420 CV     1
 ASSI { 2190}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.355 ppm2      4.786 CV     1
 ASSI { 2191}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HD1 ))
      2.500     0.800     0.800 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.351 ppm2      3.105 CV     1
 ASSI { 2193}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.100     3.100     2.900 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.357 ppm2      1.690 CV     1
 OR { 2193}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 29   and name HD1 ))
 ASSI { 2198}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.312 ppm2      7.496 CV     1
 ASSI { 2200}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 27   and name HB1 ))
      2.600     0.900     0.900 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.305 ppm2      2.218 CV     1
 ASSI { 2201}
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 40   and name HG1%)
      3.400     1.400     1.400 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.304 ppm2      0.873 CV     1
 ASSI { 2202}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.168 ppm2      7.514 CV     1
 ASSI { 2203}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD2 ))
      3.300     1.300     1.300 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.171 ppm2      7.133 CV     1
 ASSI { 2205}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 40   and name HG1%)
      2.600     0.900     0.900 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.171 ppm2      0.876 CV     1
 ASSI { 2210}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.700     1.700     1.700 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.105 ppm2      2.930 CV     1
 ASSI { 2211}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.400     1.400 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.099 ppm2      7.740 CV     1
 ASSI { 2213}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HG1 ))
      2.600     0.800     0.800 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.094 ppm2      1.538 CV     1
 ASSI { 2216}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      3.400     3.400     2.600 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.017 ppm2      3.074 CV     1
 ASSI { 2218}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.200     1.200 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.998 ppm2      7.527 CV     1
 ASSI { 2220}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HD1 ))
      3.200     1.200     1.200 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.001 ppm2      1.397 CV     1
 ASSI { 2221}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.000     0.500     0.500 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.004 ppm2      1.068 CV     1
 ASSI { 2222}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 51   and name HD1%)
      3.000     1.100     1.100 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.006 ppm2      0.877 CV     1
 OR { 2222}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 51   and name HD2%)
 ASSI { 2223}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 44   and name HG2%)
      2.800     1.000     1.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.007 ppm2      0.650 CV     1
 ASSI { 2225}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      3.200     1.300     1.300 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.785 ppm2      8.120 CV     1
 ASSI { 2226}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HA  ))
      2.800     1.000     1.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.783 ppm2      4.299 CV     1
 ASSI { 2227}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG1 ))
      2.900     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.785 ppm2      1.389 CV     1
 ASSI { 2233}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     2.700     3.300 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.078 ppm2      3.071 CV     1
 ASSI { 2235}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HD1 ))
      3.000     1.100     1.100 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.086 ppm2      1.439 CV     1
 ASSI { 2238}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG1 ))
      2.500     0.800     0.800 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.085 ppm2      0.828 CV     1
 ASSI { 2239}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      2.300     0.700     0.700 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      0.627 CV     1
 ASSI { 2257}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.700     0.900     0.900 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.272 ppm2      2.712 CV     1
 ASSI { 2258}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 79   and name HG2%)
      2.400     0.700     0.700 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.280 ppm2      1.374 CV     1
 ASSI { 2261}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.948 ppm2      8.231 CV     1
 ASSI { 2262}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.942 ppm2      7.980 CV     1
 ASSI { 2265}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG1%)
      2.500     0.800     0.800 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.944 ppm2      0.820 CV     1
 ASSI { 2267}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.400     1.400 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.711 ppm2      8.356 CV     1
 ASSI { 2268}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.711 ppm2      4.173 CV     1
 ASSI { 2269}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     1.200     1.200 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.714 ppm2      1.960 CV     1
 OR { 2269}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 2270}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     2.900     3.100 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.706 ppm2      4.646 CV     1
 OR { 2270}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2272}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.600     0.900     0.900 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.710 ppm2      1.292 CV     1
 OR { 2272}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI { 2274}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.550 ppm2      6.856 CV     1
 ASSI { 2276}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 16   and name HD1 ))
      2.500     0.800     0.800 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.549 ppm2      2.435 CV     1
 ASSI { 2277}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.900     1.100     1.100 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.553 ppm2      1.301 CV     1
 ASSI { 2279}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.100     0.500     0.500 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.551 ppm2      0.943 CV     1
 ASSI { 2291}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HD22))
      3.200     1.300     1.300 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.933 ppm2      6.483 CV     1
 ASSI { 2297}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      2.700     0.900     0.900 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.931 ppm2      1.126 CV     1
 ASSI { 2298}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.929 ppm2      7.650 CV     1
 ASSI { 2299}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.930 ppm2      6.858 CV     1
 ASSI { 2300}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      2.500     0.800     0.800 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.927 ppm2      1.295 CV     1
 OR { 2300}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 2309}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 80   and name HN  ))
      2.400     0.700     0.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.286 ppm2      8.554 CV     1
 ASSI { 2310}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 79   and name HN  ))
      2.400     0.700     0.700 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.285 ppm2      8.078 CV     1
 ASSI { 2312}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      3.100     3.100     2.900 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.280 ppm2      0.797 CV     1
 ASSI { 2315}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HE1 ))
      3.100     3.100     2.900 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.219 ppm2      2.955 CV     1
 ASSI { 2317}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.900     1.900     1.900 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.214 ppm2      4.109 CV     1
 ASSI { 2318}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.400     1.500     1.500 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.215 ppm2      2.887 CV     1
 ASSI { 2322}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 8    and name HD1%)
      3.000     1.100     1.100 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.211 ppm2      0.556 CV     1
 ASSI { 2323}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD2 ))
      3.500     1.500     1.500 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.982 ppm2      3.195 CV     1
 ASSI { 2330}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.200     0.600     0.600 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.684 ppm2      2.221 CV     1
 ASSI { 2331}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 53   and name HD2%)
      2.900     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.683 ppm2      0.844 CV     1
 ASSI { 2332}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 8    and name HD1%)
      2.400     0.700     0.700 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.683 ppm2      0.574 CV     1
 ASSI { 2352}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HG1 ))
      3.200     1.300     1.300 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.469 ppm2      2.031 CV     1
 ASSI { 2353}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HB1 ))
      2.300     0.600     0.600 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.468 ppm2      1.795 CV     1
 ASSI { 2354}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HD2 ))
      3.300     1.400     1.400 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.296 ppm2      2.906 CV     1
 ASSI { 2355}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HD1 ))
      3.000     1.100     1.100 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.292 ppm2      3.601 CV     1
 ASSI { 2358}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG2%)
      2.600     0.800     0.800 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.114 ppm2      1.318 CV     1
 ASSI { 2359}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.109 ppm2      8.312 CV     1
 ASSI { 2360}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.112 ppm2      7.355 CV     1
 ASSI { 2361}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG1%)
      2.600     0.900     0.900 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.112 ppm2      1.050 CV     1
 ASSI { 2373}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92   and name HD1 ))
      3.500     1.500     1.500 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.784 ppm2      3.578 CV     1
 ASSI { 2375}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HD22))
      2.800     1.000     1.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.600 ppm2      6.901 CV     1
 ASSI { 2376}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.601 ppm2      6.598 CV     1
 ASSI { 2377}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     2.800     3.200 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.596 ppm2      4.165 CV     1
 ASSI { 2378}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD1 ))
      2.700     0.900     0.900 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.605 ppm2      3.103 CV     1
 ASSI { 2379}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 97   and name HB2 ))
      3.500     3.500     2.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.602 ppm2      1.820 CV     1
 ASSI { 2380}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HB1 ))
      2.300     0.600     0.600 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.583 ppm2      2.297 CV     1
 ASSI { 2387}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.100     1.100 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.484 ppm2      7.342 CV     1
 ASSI { 2388}
   (( segid "    " and resid 90   and name HB1 ))
   (  segid "    " and resid 62   and name HD% )
      2.400     0.700     0.700 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.488 ppm2      7.131 CV     1
 ASSI { 2389}
   (( segid "    " and resid 90   and name HB1 ))
   (  segid "    " and resid 84   and name HD2%)
      3.600     1.600     1.600 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.480 ppm2      0.895 CV     1
 ASSI { 2391}
   (( segid "    " and resid 90   and name HB1 ))
   (  segid "    " and resid 62   and name HE% )
      2.500     0.800     0.800 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.477 ppm2      6.898 CV     1
 ASSI { 2394}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HB2 ))
      2.100     0.600     0.600 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.476 ppm2      2.494 CV     1
 ASSI { 2395}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HD2 ))
      3.300     1.400     1.400 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.006 ppm2      6.907 CV     1
 ASSI { 2397}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.960 ppm2      8.364 CV     1
 ASSI { 2398}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.959 ppm2      7.747 CV     1
 ASSI { 2401}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      4.000     2.000     2.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.817 ppm2      1.347 CV     1
 ASSI { 2402}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.800     1.800 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.783 ppm2      8.363 CV     1
 ASSI { 2403}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.785 ppm2      7.746 CV     1
 ASSI { 2406}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      2.900     1.000     1.000 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.494 ppm2      6.887 CV     1
 ASSI { 2408}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.400     0.700     0.700 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.489 ppm2      7.351 CV     1
 ASSI { 2410}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
      2.500     0.800     0.800 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.487 ppm2      0.874 CV     1
 ASSI { 2412}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
      3.100     1.200     1.200 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.251 ppm2      3.075 CV     1
 ASSI { 2413}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.500     0.800     0.800 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.248 ppm2      2.710 CV     1
 ASSI { 2414}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.241 ppm2      9.269 CV     1
 ASSI { 2415}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.123 ppm2      8.174 CV     1
 ASSI { 2416}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.122 ppm2      7.546 CV     1
 ASSI { 2418}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      2.800     1.000     1.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.118 ppm2      2.324 CV     1
 ASSI { 2419}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.800     1.800     1.800 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.003 ppm2      7.362 CV     1
 ASSI { 2420}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.200     1.200 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.992 ppm2      7.618 CV     1
 ASSI { 2422}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
      3.100     1.200     1.200 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.926 ppm2      2.717 CV     1
 ASSI { 2427}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HD2 ))
      3.000     1.200     1.200 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.575 ppm2      2.898 CV     1
 ASSI { 2432}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.200     2.200     3.800 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.038 ppm2      2.221 CV     1
 ASSI { 2434}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 59   and name HB  ))
      3.000     3.000     3.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      3.030 ppm2      2.094 CV     1
 ASSI { 2436}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.000     1.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.015 ppm2      8.520 CV     1
 ASSI { 2438}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 54   and name HB% )
      3.800     1.800     1.800 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.016 ppm2      0.579 CV     1
 ASSI { 2439}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.009 ppm2      7.579 CV     1
 ASSI { 2441}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 8    and name HG11))
      2.500     2.500     3.500 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.007 ppm2      1.249 CV     1
 ASSI { 2442}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 53   and name HD2%)
      3.000     1.100     1.100 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.008 ppm2      0.839 CV     1
 ASSI { 2448}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.500     3.500     2.500 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.002 ppm2      3.157 CV     1
 ASSI { 2449}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.994 ppm2      8.823 CV     1
 ASSI { 2452}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 8    and name HG11))
      3.700     3.700     2.300 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.985 ppm2      1.213 CV     1
 ASSI { 2453}
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 98   and name HG2%)
      3.900     1.900     1.900 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.990 ppm2      0.872 CV     1
 ASSI { 2454}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HN  ))
      2.200     0.600     0.600 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.977 ppm2      7.993 CV     1
 ASSI { 2455}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.700     1.700     1.700 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.972 ppm2      4.387 CV     1
 ASSI { 2461}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HA2 ))
      3.200     1.300     1.300 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.899 ppm2      3.865 CV     1
 ASSI { 2462}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.853 ppm2      7.227 CV     1
 ASSI { 2463}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.816 ppm2      8.053 CV     1
 ASSI { 2473}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.300     0.700     0.700 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.280 ppm2      1.999 CV     1
 ASSI { 2475}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      2.100     0.600     0.600 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.256 ppm2      1.523 CV     1
 ASSI { 2477}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     3.500     2.500 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.256 ppm2      4.157 CV     1
 ASSI { 2486}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     2.900     3.100 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.531 ppm2      4.154 CV     1
 ASSI { 2490}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.900     1.000     1.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.526 ppm2      2.029 CV     1
 ASSI { 2491}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 79   and name HG1%)
      2.900     2.900     3.100 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.523 ppm2      1.153 CV     1
 ASSI { 2505}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.200     1.200 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.736 ppm2      8.207 CV     1
 ASSI { 2507}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.200     0.600     0.600 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.737 ppm2      2.600 CV     1
 ASSI { 2510}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.572 ppm2      8.205 CV     1
 ASSI { 2511}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.574 ppm2      4.141 CV     1
 ASSI { 2514}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 79   and name HG2%)
      3.000     1.100     1.100 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.573 ppm2      1.373 CV     1
 ASSI { 2515}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 39   and name HG  ))
      2.100     2.100     3.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.539 ppm2      1.672 CV     1
 ASSI { 2523}
   (( segid "    " and resid 93   and name HG  ))
   (( segid "    " and resid 90   and name HB2 ))
      3.400     1.500     1.500 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.247 ppm2      2.509 CV     1
 ASSI { 2524}
   (( segid "    " and resid 93   and name HG  ))
   (  segid "    " and resid 93   and name HD2%)
      2.500     0.800     0.800 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.248 ppm2      1.165 CV     1
 ASSI { 2525}
   (( segid "    " and resid 93   and name HG  ))
   (  segid "    " and resid 72   and name HG2%)
      3.700     3.700     2.300 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      2.249 ppm2      0.429 CV     1
 ASSI { 2526}
   (( segid "    " and resid 93   and name HG  ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.100     1.100 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.241 ppm2      4.491 CV     1
 ASSI { 2528}
   (( segid "    " and resid 93   and name HG  ))
   (  segid "    " and resid 94   and name HG2%)
      3.500     1.500     1.500 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.237 ppm2      1.677 CV     1
 ASSI { 2529}
   (( segid "    " and resid 93   and name HG  ))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.400     1.400 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.228 ppm2      7.151 CV     1
 ASSI { 2535}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.988 ppm2      7.738 CV     1
 ASSI { 2542}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.705 ppm2      4.681 CV     1
 ASSI { 2543}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     3.600     2.400 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.705 ppm2      4.272 CV     1
 ASSI { 2544}
   (( segid "    " and resid 100  and name HD1 ))
   (( segid "    " and resid 91   and name HE2 ))
      2.100     2.100     3.900 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.674 ppm2      3.592 CV     1
 ASSI { 2547}
   (( segid "    " and resid 100  and name HD1 ))
   (( segid "    " and resid 97   and name HA  ))
      2.100     2.100     3.900 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.655 ppm2      4.221 CV     1
 ASSI { 2550}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     2.900     3.100 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.433 ppm2      3.436 CV     1
 ASSI { 2551}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 48   and name HE1 ))
      2.600     0.800     0.800 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.430 ppm2      2.955 CV     1
 ASSI { 2557}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.200     1.300     1.300 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.429 ppm2      1.158 CV     1
 ASSI { 2558}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.600     0.800     0.800 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.429 ppm2      0.997 CV     1
 ASSI { 2559}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 48   and name HG1 ))
      2.600     0.900     0.900 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.430 ppm2      0.852 CV     1
 ASSI { 2560}
   (( segid "    " and resid 48   and name HD1 ))
   (  segid "    " and resid 44   and name HG2%)
      3.600     1.600     1.600 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.431 ppm2      0.623 CV     1
 ASSI { 2562}
   (( segid "    " and resid 48   and name HD1 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.700     2.700     3.300 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.424 ppm2      2.206 CV     1
 ASSI { 2567}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.800     0.800 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.442 ppm2      3.709 CV     1
 ASSI { 2568}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 9    and name HG2%)
      3.800     3.800     2.200 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.440 ppm2      0.944 CV     1
 ASSI { 2570}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.439 ppm2      8.911 CV     1
 ASSI { 2571}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.439 ppm2      7.708 CV     1
 ASSI { 2572}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      3.700     1.700     1.700 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.438 ppm2      4.597 CV     1
 ASSI { 2573}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.438 ppm2      2.960 CV     1
 ASSI { 2574}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.200     0.600     0.600 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.439 ppm2      2.340 CV     1
 ASSI { 2575}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      2.600     0.800     0.800 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.434 ppm2      0.728 CV     1
 ASSI { 2576}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 70   and name HG11))
      2.300     0.600     0.600 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.424 ppm2      1.391 CV     1
 ASSI { 2577}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.961 ppm2      7.011 CV     1
 ASSI { 2578}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      4.300     2.300     1.700 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.961 ppm2      2.722 CV     1
 ASSI { 2579}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.955 ppm2      8.915 CV     1
 ASSI { 2581}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      2.400     0.700     0.700 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.955 ppm2      6.590 CV     1
 ASSI { 2582}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.954 ppm2      4.646 CV     1
 ASSI { 2587}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.900     0.900 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.342 ppm2      7.718 CV     1
 ASSI { 2591}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.400     1.500     1.500 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.344 ppm2      0.725 CV     1
 ASSI { 2593}
   (( segid "    " and resid 93   and name HG  ))
   (  segid "    " and resid 65   and name HB% )
      3.500     3.500     2.500 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.238 ppm2      1.337 CV     1
 ASSI { 2599}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.776 ppm2      7.436 CV     1
 ASSI { 2605}
   (( segid "    " and resid 100  and name HD1 ))
   (( segid "    " and resid 102  and name HN  ))
      3.000     3.000     3.000 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.658 ppm2      8.364 CV     1
 ASSI { 2612}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.100     1.100 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.198 ppm2      8.505 CV     1
 ASSI { 2613}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.193 ppm2      7.541 CV     1
 ASSI { 2615}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.193 ppm2      1.684 CV     1
 ASSI { 2616}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.193 ppm2      0.352 CV     1
 ASSI { 2620}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.352 ppm2      7.535 CV     1
 ASSI { 2631}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.900     1.000     1.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.051 ppm2      4.497 CV     1
 ASSI { 2632}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 92   and name HD1 ))
      2.500     0.800     0.800 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.052 ppm2      3.590 CV     1
 ASSI { 2635}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 25   and name HB2 ))
      2.100     2.100     3.900 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.926 ppm2      2.897 CV     1
 ASSI { 2638}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.700     1.700 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.882 ppm2      9.249 CV     1
 ASSI { 2640}
   (( segid "    " and resid 26   and name HG11))
   (( segid "    " and resid 57   and name HB2 ))
      2.300     0.700     0.700 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.890 ppm2      1.120 CV     1
 ASSI { 2641}
   (( segid "    " and resid 26   and name HG11))
   (  segid "    " and resid 26   and name HD1%)
      2.500     0.800     0.800 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.889 ppm2      0.792 CV     1
 ASSI { 2642}
   (( segid "    " and resid 26   and name HG11))
   (  segid "    " and resid 54   and name HB% )
      3.200     3.200     2.800 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.888 ppm2      0.560 CV     1
 ASSI { 2643}
   (( segid "    " and resid 26   and name HG11))
   (  segid "    " and resid 57   and name HD2%)
      3.500     1.500     1.500 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.887 ppm2      0.520 CV     1
 ASSI { 2645}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.790 ppm2      8.589 CV     1
 ASSI { 2647}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 85   and name HD1 ))
      3.500     1.500     1.500 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.787 ppm2      3.602 CV     1
 ASSI { 2649}
   (( segid "    " and resid 84   and name HG  ))
   (  segid "    " and resid 82   and name HG2%)
      2.100     2.100     3.900 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.777 ppm2      0.949 CV     1
 ASSI { 2650}
   (( segid "    " and resid 84   and name HG  ))
   (  segid "    " and resid 62   and name HE% )
      2.600     0.900     0.900 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.774 ppm2      6.869 CV     1
 ASSI { 2652}
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HE1 ))
      2.700     0.900     0.900 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.769 ppm2      3.091 CV     1
 ASSI { 2655}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.366 ppm2      6.848 CV     1
 ASSI { 2688}
   (( segid "    " and resid 94   and name HG11))
   (( segid "    " and resid 91   and name HA  ))
      2.600     0.800     0.800 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.902 ppm2      4.127 CV     1
 ASSI { 2693}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD1 ))
      2.600     0.900     0.900 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.681 ppm2      3.135 CV     1
 ASSI { 2695}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     3.000     3.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.664 ppm2      4.749 CV     1
 ASSI { 2698}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.100     2.100     3.900 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.609 ppm2      3.109 CV     1
 ASSI { 2699}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.601 ppm2      7.230 CV     1
 ASSI { 2700}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.602 ppm2      3.926 CV     1
 ASSI { 2703}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.376 ppm2      7.642 CV     1
 ASSI { 2709}
   (( segid "    " and resid 8    and name HG11))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.252 ppm2      8.381 CV     1
 ASSI { 2711}
   (( segid "    " and resid 8    and name HG11))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.218 ppm2      4.622 CV     1
 ASSI { 2713}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.078 ppm2      8.662 CV     1
 OR { 2713}
   (( segid "    " and resid 73   and name HG11))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 2714}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.076 ppm2      4.912 CV     1
 OR { 2714}
   (( segid "    " and resid 73   and name HG11))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 2716}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 36   and name HB  ))
      3.500     1.500     1.500 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.080 ppm2      1.352 CV     1
 OR { 2716}
   (( segid "    " and resid 73   and name HG11))
   (( segid "    " and resid 36   and name HB  ))
 ASSI { 2717}
   (( segid "    " and resid 73   and name HG12))
   (  segid "    " and resid 36   and name HG1%)
      2.700     0.900     0.900 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.075 ppm2      0.436 CV     1
 OR { 2717}
   (( segid "    " and resid 73   and name HG11))
   (  segid "    " and resid 36   and name HG1%)
 ASSI { 2721}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.830 ppm2      8.720 CV     1
 ASSI { 2723}
   (( segid "    " and resid 72   and name HG12))
   (  segid "    " and resid 72   and name HG2%)
      2.600     0.800     0.800 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.830 ppm2      0.439 CV     1
 ASSI { 2724}
   (( segid "    " and resid 72   and name HG12))
   (  segid "    " and resid 72   and name HD1%)
      2.400     0.700     0.700 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.834 ppm2     -0.151 CV     1
 ASSI { 2726}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 70   and name HB  ))
      3.400     1.400     1.400 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.811 ppm2      1.605 CV     1
 ASSI { 2727}
   (( segid "    " and resid 72   and name HG11))
   (( segid "    " and resid 72   and name HN  ))
      2.600     0.900     0.900 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.751 ppm2      8.721 CV     1
 ASSI { 2728}
   (( segid "    " and resid 72   and name HG11))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.756 ppm2      5.307 CV     1
 ASSI { 2731}
   (( segid "    " and resid 72   and name HG11))
   (  segid "    " and resid 72   and name HG2%)
      3.100     1.200     1.200 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.757 ppm2      0.430 CV     1
 ASSI { 2732}
   (( segid "    " and resid 72   and name HG11))
   (  segid "    " and resid 72   and name HD1%)
      2.400     0.700     0.700 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.754 ppm2     -0.149 CV     1
 ASSI { 2748}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.400     1.500     1.500 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.744 ppm2      7.121 CV     1
 ASSI { 2751}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.741 ppm2      3.286 CV     1
 ASSI { 2759}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.279 ppm2      8.170 CV     1
 ASSI { 2790}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.200     1.300     1.300 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.868 ppm2      2.908 CV     1
 ASSI { 2791}
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.500     0.800     0.800 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.870 ppm2      2.254 CV     1
 ASSI { 2796}
   (( segid "    " and resid 88   and name HG1 ))
   (( segid "    " and resid 88   and name HD1 ))
      2.500     0.800     0.800 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.685 ppm2      3.548 CV     1
 ASSI { 2798}
   (( segid "    " and resid 88   and name HG1 ))
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.678 ppm2      4.125 CV     1
 ASSI { 2800}
   (( segid "    " and resid 39   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.600     1.600     1.600 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.675 ppm2      2.268 CV     1
 ASSI { 2803}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 71   and name HN  ))
      3.700     1.700     1.700 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.416 ppm2      7.702 CV     1
 ASSI { 2804}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.418 ppm2      1.659 CV     1
 ASSI { 2806}
   (( segid "    " and resid 70   and name HG11))
   (  segid "    " and resid 93   and name HD2%)
      3.200     3.200     2.800 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.399 ppm2      1.134 CV     1
 ASSI { 2807}
   (( segid "    " and resid 8    and name HG11))
   (( segid "    " and resid 7    and name HB2 ))
      3.900     1.900     1.900 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.245 ppm2      1.676 CV     1
 OR { 2807}
   (( segid "    " and resid 8    and name HG11))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI { 2811}
   (( segid "    " and resid 8    and name HG11))
   (( segid "    " and resid 6    and name HG1 ))
      3.700     3.700     2.300 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.232 ppm2      1.902 CV     1
 ASSI { 2812}
   (( segid "    " and resid 8    and name HG11))
   (  segid "    " and resid 8    and name HD1%)
      2.500     0.800     0.800 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.235 ppm2      0.589 CV     1
 ASSI { 2823}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 62   and name HE% )
      2.800     1.000     1.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.674 ppm2      6.862 CV     1
 ASSI { 2824}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HB1 ))
      2.800     1.000     1.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.674 ppm2      2.106 CV     1
 ASSI { 2825}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HG  ))
      2.500     0.800     0.800 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.673 ppm2      1.662 CV     1
 ASSI { 2826}
   (  segid "    " and resid 39   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.674 ppm2      1.286 CV     1
 ASSI { 2827}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 72   and name HG2%)
      2.600     0.800     0.800 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.674 ppm2      0.425 CV     1
 ASSI { 2828}
   (  segid "    " and resid 39   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
      2.700     0.900     0.900 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.673 ppm2     -0.141 CV     1
 ASSI { 2842}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 94   and name HB  ))
      2.900     1.100     1.100 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.066 ppm2      2.304 CV     1
 ASSI { 2846}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.566 ppm2      8.526 CV     1
 ASSI { 2853}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.417 ppm2      8.157 CV     1
 ASSI { 2855}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.413 ppm2      3.733 CV     1
 ASSI { 2856}
   (( segid "    " and resid 70   and name HG11))
   (( segid "    " and resid 68   and name HB2 ))
      3.700     1.700     1.700 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.413 ppm2      2.366 CV     1
 ASSI { 2871}
   (( segid "    " and resid 57   and name HG  ))
   (  segid "    " and resid 57   and name HD2%)
      2.400     0.700     0.700 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.565 ppm2      0.492 CV     1
 ASSI { 2872}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     3.400     2.600 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.468 ppm2      3.284 CV     1
 ASSI { 2873}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HD1 ))
      2.700     0.900     0.900 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.464 ppm2      2.416 CV     1
 ASSI { 2874}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HD2 ))
      3.600     1.600     1.600 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.295 ppm2      7.115 CV     1
 ASSI { 2879}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.294 ppm2      4.316 CV     1
 ASSI { 2886}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.600     2.600     3.400 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      2.549 CV     1
 ASSI { 2887}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      2.200     0.600     0.600 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.083 ppm2      1.745 CV     1
 ASSI { 2894}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 54   and name HA  ))
      2.100     2.100     3.900 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.489 ppm2      3.465 CV     1
 ASSI { 2897}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.486 ppm2      3.842 CV     1
 ASSI { 2899}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 60   and name HB% )
      2.100     2.100     3.900 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.487 ppm2      1.343 CV     1
 ASSI { 2900}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 57   and name HD1%)
      2.600     0.900     0.900 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.487 ppm2      0.876 CV     1
 ASSI { 2914}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HB1 ))
      3.100     1.200     1.200 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.655 ppm2      2.073 CV     1
 ASSI { 2917}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.441 ppm2      9.246 CV     1
 ASSI { 2921}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HB1 ))
      2.800     1.000     1.000 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.447 ppm2      1.860 CV     1
 ASSI { 2922}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.400     1.400 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.435 ppm2      2.064 CV     1
 ASSI { 2923}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 90   and name HB1 ))
      2.300     0.600     0.600 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.297 ppm2      3.484 CV     1
 ASSI { 2924}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.297 ppm2      2.615 CV     1
 ASSI { 2925}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.286 ppm2      8.823 CV     1
 ASSI { 2926}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.300     0.700     0.700 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.290 ppm2      8.559 CV     1
 ASSI { 2928}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      2.000     0.500     0.500 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.290 ppm2      7.599 CV     1
 ASSI { 2929}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 62   and name HE% )
      2.600     0.900     0.900 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.289 ppm2      6.917 CV     1
 ASSI { 2932}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
      2.400     0.700     0.700 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.289 ppm2      4.730 CV     1
 OR { 2932}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 2934}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 48   and name HE1 ))
      2.500     0.800     0.800 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.288 ppm2      2.960 CV     1
 ASSI { 2935}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 93   and name HG  ))
      2.500     0.800     0.800 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.292 ppm2      2.257 CV     1
 OR { 2935}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 93   and name HB1 ))
 ASSI { 2939}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 53   and name HG  ))
      2.800     1.000     1.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.291 ppm2      1.550 CV     1
 ASSI { 2943}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HN  ))
      3.500     1.600     1.600 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      8.584 CV     1
 ASSI { 2945}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.900     3.900     2.100 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.078 ppm2      4.891 CV     1
 ASSI { 2946}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      4.150 CV     1
 ASSI { 2949}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 85   and name HD2 ))
      3.900     1.900     1.900 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.079 ppm2      2.916 CV     1
 ASSI { 2952}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.081 ppm2      1.504 CV     1
 ASSI { 2953}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.800     0.800 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.931 ppm2      3.463 CV     1
 ASSI { 2954}
   (  segid "    " and resid 53   and name HD1%)
   (  segid "    " and resid 24   and name HB% )
      2.400     0.700     0.700 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.931 ppm2      1.358 CV     1
 ASSI { 2955}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.929 ppm2      8.184 CV     1
 ASSI { 2956}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.925 ppm2      3.924 CV     1
 ASSI { 2957}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 48   and name HE1 ))
      3.000     1.100     1.100 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.926 ppm2      2.950 CV     1
 ASSI { 2959}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 48   and name HB1 ))
      3.300     1.300     1.300 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.924 ppm2      2.010 CV     1
 ASSI { 2960}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 51   and name HB1 ))
      2.100     2.100     3.900 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.922 ppm2      1.669 CV     1
 ASSI { 2962}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
      3.400     3.400     2.600 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.893 ppm2      4.428 CV     1
 ASSI { 2976}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.302 ppm2      8.310 CV     1
 ASSI { 2977}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.302 ppm2      7.276 CV     1
 ASSI { 2980}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 76   and name HB2 ))
      3.100     3.100     2.900 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.304 ppm2      2.566 CV     1
 ASSI { 2981}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 26   and name HG2%)
      3.700     3.700     2.300 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.303 ppm2      1.147 CV     1
 ASSI { 2982}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.100     0.500     0.500 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.302 ppm2      0.722 CV     1
 ASSI { 2983}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 83   and name HD% )
      3.100     1.200     1.200 peak  2983 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.288 ppm2      6.819 CV     1
 ASSI { 2995}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.655 ppm2      7.456 CV     1
 ASSI { 2996}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.654 ppm2      4.454 CV     1
 ASSI { 2998}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.600     1.600 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.533 ppm2      7.463 CV     1
 ASSI { 3000}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.200     3.200     2.800 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.534 ppm2      3.103 CV     1
 ASSI { 3002}
   (( segid "    " and resid 51   and name HG  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.900     2.900     3.100 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.429 ppm2      1.008 CV     1
 ASSI { 3003}
   (( segid "    " and resid 51   and name HG  ))
   (  segid "    " and resid 51   and name HD2%)
      2.700     0.900     0.900 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.429 ppm2      0.860 CV     1
 OR { 3003}
   (( segid "    " and resid 51   and name HG  ))
   (  segid "    " and resid 51   and name HD1%)
 ASSI { 3007}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 97   and name HA  ))
      2.100     2.100     3.900 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.365 ppm2      4.192 CV     1
 ASSI { 3010}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 11   and name HD22))
      2.700     0.900     0.900 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.266 ppm2      6.453 CV     1
 ASSI { 3011}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HE1 ))
      2.600     0.900     0.900 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.260 ppm2      2.724 CV     1
 ASSI { 3012}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2      8.607 CV     1
 ASSI { 3014}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 62   and name HD% )
      2.100     2.100     3.900 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2      7.132 CV     1
 ASSI { 3015}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.100     2.100     3.900 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2      5.191 CV     1
 ASSI { 3017}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2      4.489 CV     1
 ASSI { 3018}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
      2.600     0.800     0.800 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2      4.306 CV     1
 ASSI { 3021}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 62   and name HA  ))
      2.100     2.100     3.900 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.175 ppm2      3.390 CV     1
 ASSI { 3023}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 93   and name HB1 ))
      2.500     0.800     0.800 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2      2.277 CV     1
 ASSI { 3027}
   (  segid "    " and resid 93   and name HD2%)
   (  segid "    " and resid 72   and name HD1%)
      2.100     2.100     3.900 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.171 ppm2     -0.149 CV     1
 ASSI { 3029}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HE1 ))
      2.800     1.000     1.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.114 ppm2      2.721 CV     1
 ASSI { 3034}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.838 ppm2      4.418 CV     1
 ASSI { 3035}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.723 ppm2      8.306 CV     1
 ASSI { 3036}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.714 ppm2      7.271 CV     1
 ASSI { 3037}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.714 ppm2      4.253 CV     1
 ASSI { 3038}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.719 ppm2      3.568 CV     1
 ASSI { 3039}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.600     0.800     0.800 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.716 ppm2      2.567 CV     1
 ASSI { 3046}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HE1 ))
      2.900     1.000     1.000 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.378 ppm2      2.989 CV     1
 ASSI { 3047}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 97   and name HB1 ))
      2.300     0.700     0.700 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.381 ppm2      1.995 CV     1
 ASSI { 3050}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 72   and name HG12))
      2.100     2.100     3.900 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.186 ppm2      0.804 CV     1
 ASSI { 3051}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
      3.400     3.400     2.600 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      0.843 ppm2      7.302 CV     1
 ASSI { 3052}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.824 ppm2      7.555 CV     1
 ASSI { 3053}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 56   and name HD2 ))
      3.300     1.400     1.400 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.817 ppm2      6.931 CV     1
 ASSI { 3054}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.200     1.200 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.816 ppm2      4.719 CV     1
 ASSI { 3055}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.816 ppm2      3.925 CV     1
 ASSI { 3058}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 57   and name HB1 ))
      3.500     3.500     2.500 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.820 ppm2      1.951 CV     1
 ASSI { 3059}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
      2.100     2.100     3.900 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.816 ppm2      1.639 CV     1
 ASSI { 3060}
   (  segid "    " and resid 53   and name HD2%)
   (  segid "    " and resid 19   and name HG2%)
      2.100     2.100     3.900 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.816 ppm2      1.255 CV     1
 ASSI { 3061}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 48   and name HB2 ))
      3.600     1.600     1.600 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.820 ppm2      1.065 CV     1
 ASSI { 3062}
   (  segid "    " and resid 53   and name HD2%)
   (  segid "    " and resid 54   and name HB% )
      3.600     1.600     1.600 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.817 ppm2      0.559 CV     1
 ASSI { 3064}
   (  segid "    " and resid 53   and name HD2%)
   (( segid "    " and resid 6    and name HD1 ))
      2.100     2.100     3.900 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.812 ppm2      3.525 CV     1
 ASSI { 3072}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 90   and name HE1 ))
      2.700     0.900     0.900 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.317 ppm2     10.333 CV     1
 ASSI { 3073}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.800     0.800 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.318 ppm2      8.314 CV     1
 ASSI { 3074}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      2.100     2.100     3.900 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.317 ppm2      7.593 CV     1
 ASSI { 3075}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      3.500     1.500     1.500 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.318 ppm2      7.328 CV     1
 ASSI { 3081}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 59   and name HG1%)
      2.800     0.900     0.900 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.317 ppm2      1.054 CV     1
 ASSI { 3088}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.866 ppm2      8.543 CV     1
 ASSI { 3090}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HG  ))
      2.500     0.800     0.800 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.867 ppm2      1.572 CV     1
 ASSI { 3091}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.863 ppm2      9.424 CV     1
 ASSI { 3092}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.864 ppm2      5.913 CV     1
 ASSI { 3093}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      3.400     3.400     2.600 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.863 ppm2      4.695 CV     1
 ASSI { 3094}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 17   and name HB1 ))
      3.400     3.400     2.600 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.863 ppm2      2.948 CV     1
 ASSI { 3095}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 19   and name HG2%)
      2.100     2.100     3.900 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.863 ppm2      1.253 CV     1
 ASSI { 3104}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.376 ppm2      8.086 CV     1
 ASSI { 3105}
   (  segid "    " and resid 79   and name HG2%)
   (  segid "    " and resid 78   and name HD% )
      2.300     0.700     0.700 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.376 ppm2      6.925 CV     1
 ASSI { 3108}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 83   and name HB1 ))
      3.300     1.400     1.400 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.375 ppm2      3.199 CV     1
 OR { 3108}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 3111}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.181 ppm2      8.579 CV     1
 ASSI { 3112}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.500     1.500 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.185 ppm2      8.090 CV     1
 ASSI { 3115}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.180 ppm2      4.127 CV     1
 ASSI { 3116}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 84   and name HA  ))
      3.100     3.100     2.900 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.181 ppm2      3.910 CV     1
 ASSI { 3118}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 83   and name HB1 ))
      2.600     0.800     0.800 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.183 ppm2      3.204 CV     1
 ASSI { 3119}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.200     1.200 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.179 ppm2      2.536 CV     1
 ASSI { 3121}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 84   and name HG  ))
      2.600     0.900     0.900 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.181 ppm2      1.789 CV     1
 ASSI { 3122}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 86   and name HB1 ))
      3.700     3.700     2.300 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.181 ppm2      1.575 CV     1
 ASSI { 3124}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 58   and name HB2 ))
      2.900     1.100     1.100 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.183 ppm2      0.715 CV     1
 ASSI { 3147}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.500     1.500 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.374 ppm2      8.576 CV     1
 ASSI { 3148}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.369 ppm2      8.710 CV     1
 ASSI { 3149}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.369 ppm2      7.553 CV     1
 ASSI { 3150}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.369 ppm2      5.927 CV     1
 ASSI { 3153}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 45   and name HD1 ))
      2.700     0.900     0.900 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.369 ppm2      3.457 CV     1
 ASSI { 3154}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
      3.300     3.300     2.700 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.370 ppm2      3.047 CV     1
 ASSI { 3156}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 43   and name HB1 ))
      3.000     3.000     3.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.371 ppm2      1.803 CV     1
 ASSI { 3157}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 26   and name HB  ))
      3.900     3.900     2.100 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.372 ppm2      1.628 CV     1
 ASSI { 3159}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 44   and name HG1%)
      3.600     1.600     1.600 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.370 ppm2      0.464 CV     1
 ASSI { 3163}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 85   and name HD1 ))
      3.700     1.700     1.700 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.856 ppm2      3.591 CV     1
 ASSI { 3164}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.846 ppm2      8.121 CV     1
 ASSI { 3166}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 50   and name HA1 ))
      2.100     2.100     3.900 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.848 ppm2      4.118 CV     1
 ASSI { 3167}
   (  segid "    " and resid 84   and name HD2%)
   (( segid "    " and resid 94   and name HB  ))
      3.400     3.400     2.600 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      0.851 ppm2      2.336 CV     1
 ASSI { 3170}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.300     1.300 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.752 ppm2      9.258 CV     1
 ASSI { 3171}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
      2.400     0.700     0.700 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.754 ppm2      8.861 CV     1
 ASSI { 3172}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.749 ppm2      8.395 CV     1
 ASSI { 3173}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 28   and name HD% )
      3.200     1.300     1.300 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.750 ppm2      6.667 CV     1
 ASSI { 3174}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      3.500     1.500     1.500 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.752 ppm2      6.175 CV     1
 ASSI { 3176}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 28   and name HB1 ))
      2.800     1.000     1.000 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.750 ppm2      3.024 CV     1
 ASSI { 3177}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.751 ppm2      2.661 CV     1
 ASSI { 3179}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
      2.500     0.800     0.800 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.750 ppm2      1.850 CV     1
 ASSI { 3180}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HG  ))
      2.400     0.700     0.700 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.751 ppm2      1.686 CV     1
 ASSI { 3181}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
      3.300     1.300     1.300 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.749 ppm2      1.185 CV     1
 ASSI { 3182}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 72   and name HD1%)
      2.600     0.900     0.900 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.752 ppm2     -0.169 CV     1
 ASSI { 3186}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      2.400     0.700     0.700 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.961 ppm2      8.208 CV     1
 ASSI { 3187}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.963 ppm2      7.420 CV     1
 ASSI { 3188}
   (  segid "    " and resid 82   and name HG2%)
   (  segid "    " and resid 78   and name HE% )
      2.700     0.900     0.900 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.962 ppm2      6.728 CV     1
 ASSI { 3189}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      3.700     1.700     1.700 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.960 ppm2      4.767 CV     1
 ASSI { 3194}
   (  segid "    " and resid 82   and name HG2%)
   (  segid "    " and resid 79   and name HG1%)
      3.500     1.500     1.500 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.963 ppm2      1.218 CV     1
 ASSI { 3196}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.895 ppm2      8.418 CV     1
 ASSI { 3198}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 29   and name HE1 ))
      2.600     0.900     0.900 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.894 ppm2      2.950 CV     1
 ASSI { 3203}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.048 ppm2      8.315 CV     1
 ASSI { 3204}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      2.100     2.100     3.900 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.047 ppm2      7.579 CV     1
 ASSI { 3205}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.048 ppm2      7.350 CV     1
 ASSI { 3207}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 63   and name HG2 ))
      2.600     0.900     0.900 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.047 ppm2      2.412 CV     1
 ASSI { 3211}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 63   and name HG1 ))
      3.000     1.100     1.100 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.047 ppm2      2.676 CV     1
 ASSI { 3213}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.932 ppm2      9.604 CV     1
 ASSI { 3214}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.931 ppm2      8.903 CV     1
 ASSI { 3219}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
      3.000     1.100     1.100 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.930 ppm2      2.397 CV     1
 ASSI { 3220}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HB  ))
      2.700     0.900     0.900 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.930 ppm2      2.197 CV     1
 ASSI { 3223}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.928 ppm2      1.703 CV     1
 OR { 3223}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 7    and name HB1 ))
 ASSI { 3239}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 72   and name HG12))
      2.100     2.100     3.900 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.667 ppm2      0.807 CV     1
 ASSI { 3248}
   (  segid "    " and resid 98   and name HG1%)
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.789 ppm2      7.995 CV     1
 ASSI { 3249}
   (  segid "    " and resid 98   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      2.200     2.200     3.800 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      0.791 ppm2      4.258 CV     1
 ASSI { 3250}
   (  segid "    " and resid 98   and name HG1%)
   (( segid "    " and resid 98   and name HA  ))
      3.300     1.300     1.300 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.787 ppm2      3.976 CV     1
 ASSI { 3252}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HD1 ))
      3.300     1.400     1.400 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.647 ppm2      3.465 CV     1
 ASSI { 3253}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      9.207 CV     1
 ASSI { 3254}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.438 ppm2      8.628 CV     1
 ASSI { 3255}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      5.296 CV     1
 ASSI { 3256}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 36   and name HA  ))
      2.800     0.900     0.900 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      4.531 CV     1
 ASSI { 3258}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 32   and name HB2 ))
      3.200     3.200     2.800 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.438 ppm2      2.489 CV     1
 ASSI { 3259}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.438 ppm2      2.075 CV     1
 ASSI { 3268}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.367 ppm2      4.530 CV     1
 ASSI { 3270}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
      2.900     1.000     1.000 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.367 ppm2      2.938 CV     1
 ASSI { 3272}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.900     0.900 peak  3272 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.368 ppm2      1.922 CV     1
 ASSI { 3274}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
      2.700     0.900     0.900 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.368 ppm2      1.380 CV     1
 ASSI { 3277}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 72   and name HG12))
      3.600     3.600     2.400 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.370 ppm2      0.792 CV     1
 ASSI { 3286}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      3.000     1.200     1.200 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      0.870 ppm2      8.236 CV     1
 ASSI { 3287}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
      3.500     1.600     1.600 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.868 ppm2      7.970 CV     1
 ASSI { 3288}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HA  ))
      2.800     1.000     1.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.869 ppm2      3.972 CV     1
 ASSI { 3289}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HB  ))
      2.600     0.800     0.800 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.868 ppm2      1.962 CV     1
 ASSI { 3291}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.653 ppm2      9.162 CV     1
 ASSI { 3292}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.652 ppm2      8.548 CV     1
 ASSI { 3293}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 43   and name HE% )
      3.000     3.000     3.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.653 ppm2      6.827 CV     1
 ASSI { 3294}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      3.400     3.400     2.600 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.653 ppm2      5.494 CV     1
 ASSI { 3295}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.652 ppm2      4.476 CV     1
 ASSI { 3296}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      2.400     0.700     0.700 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.653 ppm2      3.747 CV     1
 ASSI { 3297}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 76   and name HB2 ))
      3.400     1.500     1.500 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.652 ppm2      2.562 CV     1
 ASSI { 3299}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.436 ppm2      7.373 CV     1
 ASSI { 3301}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HD1 ))
      3.500     1.600     1.600 peak  3301 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.438 ppm2      3.469 CV     1
 ASSI { 3302}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 43   and name HB1 ))
      3.100     3.100     2.900 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.436 ppm2      1.777 CV     1
 ASSI { 3303}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.435 ppm2      8.552 CV     1
 ASSI { 3313}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.898 ppm2      8.878 CV     1
 ASSI { 3314}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 18   and name HB1 ))
      3.300     1.400     1.400 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.896 ppm2      2.377 CV     1
 ASSI { 3328}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.100     1.100 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.897 ppm2      3.785 CV     1
 ASSI { 3330}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.500     1.500 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.898 ppm2      2.709 CV     1
 ASSI { 3331}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 19   and name HG2%)
      3.300     1.400     1.400 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.898 ppm2      1.314 CV     1
 ASSI { 3332}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 26   and name HG2%)
      3.900     1.900     1.900 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.897 ppm2      1.166 CV     1
 ASSI { 3334}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 57   and name HD2%)
      2.600     0.800     0.800 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.900 ppm2      0.475 CV     1
 ASSI { 3336}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.866 ppm2      7.502 CV     1
 ASSI { 3337}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
      3.300     1.300     1.300 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.867 ppm2      6.177 CV     1
 ASSI { 3340}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.862 ppm2      4.287 CV     1
 ASSI { 3352}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  3352 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.892 ppm2      9.203 CV     1
 ASSI { 3353}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      2.500     0.800     0.800 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.894 ppm2      7.705 CV     1
 ASSI { 3354}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.900     1.900 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.895 ppm2      4.187 CV     1
 ASSI { 3356}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.400     0.700     0.700 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.892 ppm2      1.659 CV     1
 ASSI { 3357}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.889 ppm2      8.149 CV     1
 ASSI { 3364}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.310 ppm2      7.352 CV     1
 ASSI { 3365}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
      2.800     0.900     0.900 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.311 ppm2      7.119 CV     1
 ASSI { 3369}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 8    and name HB  ))
      2.800     1.000     1.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.310 ppm2      1.791 CV     1
 ASSI { 3370}
   (  segid "    " and resid 60   and name HB% )
   (  segid "    " and resid 8    and name HD1%)
      2.100     2.100     3.900 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.311 ppm2      0.565 CV     1
 ASSI { 3371}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 63   and name HG2 ))
      3.500     1.500     1.500 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.306 ppm2      2.462 CV     1
 ASSI { 3374}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 68   and name HB1 ))
      3.900     1.900     1.900 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.891 ppm2      3.453 CV     1
 ASSI { 3375}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.846 ppm2      8.124 CV     1
 ASSI { 3376}
   (  segid "    " and resid 61   and name HB% )
   (  segid "    " and resid 62   and name HD% )
      3.200     1.300     1.300 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.847 ppm2      7.133 CV     1
 ASSI { 3377}
   (  segid "    " and resid 61   and name HB% )
   (  segid "    " and resid 28   and name HD% )
      2.900     1.000     1.000 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.849 ppm2      6.636 CV     1
 ASSI { 3378}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.848 ppm2      3.567 CV     1
 ASSI { 3385}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.187 ppm2      9.410 CV     1
 ASSI { 3387}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.187 ppm2      8.738 CV     1
 ASSI { 3388}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 17   and name HD% )
      2.500     0.800     0.800 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.186 ppm2      7.048 CV     1
 ASSI { 3391}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      3.300     1.400     1.400 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.184 ppm2      3.829 CV     1
 ASSI { 3392}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.190 ppm2      3.575 CV     1
 ASSI { 3393}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
      3.800     1.800     1.800 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.187 ppm2      2.974 CV     1
 ASSI { 3395}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 40   and name HB  ))
      3.100     3.100     2.900 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.185 ppm2      2.158 CV     1
 ASSI { 3396}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HG11))
      3.000     1.200     1.200 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.187 ppm2      1.936 CV     1
 ASSI { 3399}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 72   and name HG2%)
      3.600     3.600     2.400 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.186 ppm2      0.436 CV     1
 ASSI { 3406}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.345 ppm2      8.618 CV     1
 ASSI { 3407}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.344 ppm2      8.358 CV     1
 ASSI { 3408}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.400     1.400 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.342 ppm2      8.132 CV     1
 ASSI { 3409}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.345 ppm2      7.746 CV     1
 ASSI { 3410}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.100     1.100 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.343 ppm2      4.319 CV     1
 ASSI { 3414}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 70   and name HB  ))
      2.200     0.600     0.600 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.344 ppm2      1.608 CV     1
 ASSI { 3415}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 72   and name HG12))
      2.500     0.800     0.800 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.345 ppm2      0.779 CV     1
 OR { 3415}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 72   and name HG11))
 ASSI { 3416}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 72   and name HD1%)
      2.400     0.700     0.700 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.344 ppm2     -0.152 CV     1
 ASSI { 3417}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 72   and name HG2%)
      3.900     1.900     1.900 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.317 ppm2      0.439 CV     1
 ASSI { 3420}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      9.231 CV     1
 ASSI { 3422}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      4.905 CV     1
 ASSI { 3428}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 74   and name HG1 ))
      2.600     0.800     0.800 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      2.033 CV     1
 ASSI { 3429}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HG11))
      2.600     0.800     0.800 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      1.895 CV     1
 ASSI { 3430}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 94   and name HG2%)
      2.900     1.000     1.000 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      1.676 CV     1
 ASSI { 3432}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 72   and name HG2%)
      2.100     2.100     3.900 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.081 ppm2      0.458 CV     1
 ASSI { 3437}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      2.300     0.600     0.600 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.441 ppm2      8.662 CV     1
 ASSI { 3440}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      4.887 CV     1
 ASSI { 3444}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 39   and name HG  ))
      3.500     1.500     1.500 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      1.675 CV     1
 ASSI { 3449}
   (  segid "    " and resid 72   and name HG2%)
   (  segid "    " and resid 72   and name HD1%)
      2.400     0.700     0.700 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2     -0.157 CV     1
 ASSI { 3459}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.100     1.200     1.200 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.872 ppm2      8.649 CV     1
 ASSI { 3460}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.871 ppm2      7.756 CV     1
 ASSI { 3461}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.872 ppm2      5.195 CV     1
 ASSI { 3463}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      3.200     3.200     2.800 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.875 ppm2      4.220 CV     1
 ASSI { 3465}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 38   and name HB1 ))
      2.100     2.100     3.900 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.875 ppm2      3.259 CV     1
 ASSI { 3468}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.700     0.900     0.900 peak  3468 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.872 ppm2      1.632 CV     1
 ASSI { 3474}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
      2.500     0.800     0.800 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.787 ppm2      1.156 CV     1
 ASSI { 3475}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.786 ppm2      3.560 CV     1
 ASSI { 3499}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 79   and name HG2%)
      3.000     1.100     1.100 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.788 ppm2      1.358 CV     1
 ASSI { 3504}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.559 ppm2      8.539 CV     1
 ASSI { 3505}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.557 ppm2      7.617 CV     1
 ASSI { 3506}
   (  segid "    " and resid 54   and name HB% )
   (  segid "    " and resid 78   and name HE% )
      2.700     0.900     0.900 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.557 ppm2      6.727 CV     1
 ASSI { 3507}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 52   and name HA1 ))
      3.500     3.500     2.500 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.560 ppm2      3.959 CV     1
 ASSI { 3509}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 53   and name HB1 ))
      3.300     1.300     1.300 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.557 ppm2      1.688 CV     1
 ASSI { 3510}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 44   and name HB  ))
      2.600     0.900     0.900 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.559 ppm2      1.593 CV     1
 ASSI { 3511}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 57   and name HG  ))
      3.400     1.400     1.400 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.559 ppm2      1.555 CV     1
 ASSI { 3512}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      3.900     1.900     1.900 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      0.556 ppm2      1.168 CV     1
 ASSI { 3513}
   (  segid "    " and resid 54   and name HB% )
   (  segid "    " and resid 82   and name HG2%)
      3.100     3.100     2.900 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.558 ppm2      0.982 CV     1
 ASSI { 3570}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.600     1.600 peak  3570 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.728 ppm2      8.150 CV     1
 ASSI { 3571}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
      2.100     2.100     3.900 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.725 ppm2      7.726 CV     1
 ASSI { 3576}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 94   and name HG11))
      3.500     3.500     2.500 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.724 ppm2      1.860 CV     1
 ASSI { 3577}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      2.800     1.000     1.000 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.717 ppm2      9.213 CV     1
 ASSI { 3579}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.712 ppm2      4.868 CV     1
 ASSI { 3580}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      3.700     1.700     1.700 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.718 ppm2      4.546 CV     1
 ASSI { 3581}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 64   and name HA  ))
      2.100     2.100     3.900 peak  3581 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.713 ppm2      3.985 CV     1
 ASSI { 3583}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
      2.100     2.100     3.900 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.710 ppm2      2.926 CV     1
 ASSI { 3584}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 74   and name HG1 ))
      4.000     2.000     2.000 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.713 ppm2      2.056 CV     1
 ASSI { 3586}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HG11))
      2.600     0.900     0.900 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.716 ppm2      1.380 CV     1
 ASSI { 3587}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HG12))
      2.600     0.900     0.900 peak  3587 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.714 ppm2      1.104 CV     1
 OR { 3587}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HG11))
 ASSI { 3589}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 36   and name HG1%)
      3.500     1.600     1.600 peak  3589 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.712 ppm2      0.450 CV     1
 ASSI { 3590}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 95   and name HD2 ))
      2.700     0.900     0.900 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.708 ppm2      6.866 CV     1
 ASSI { 3594}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1     -0.156 ppm2      8.689 CV     1
 ASSI { 3595}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 62   and name HD% )
      2.400     0.700     0.700 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1     -0.155 ppm2      7.140 CV     1
 ASSI { 3598}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 93   and name HB1 ))
      3.200     1.300     1.300 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1     -0.151 ppm2      2.256 CV     1
 ASSI { 3599}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 93   and name HB2 ))
      3.100     1.200     1.200 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1     -0.154 ppm2      2.075 CV     1
 ASSI { 3602}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      3.400     3.400     2.600 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1     -0.153 ppm2      0.778 CV     1
 ASSI { 3617}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.580 ppm2      9.596 CV     1
 ASSI { 3618}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.579 ppm2      8.528 CV     1
 ASSI { 3619}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.579 ppm2      4.410 CV     1
 ASSI { 3620}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.576 ppm2      8.351 CV     1
 ASSI { 3622}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.578 ppm2      3.830 CV     1
 ASSI { 3623}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 17   and name HB1 ))
      3.900     1.900     1.900 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.579 ppm2      3.007 CV     1
 ASSI { 3633}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HE1 ))
      3.600     1.600     1.600 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.173 ppm2      2.698 CV     1
 ASSI { 3634}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.173 ppm2      7.637 CV     1
 ASSI { 3636}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.310 ppm2      8.727 CV     1
 ASSI { 3638}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.460 ppm2      7.801 CV     1
 ASSI { 3639}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak  3639 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.626 ppm2      2.667 CV     1
 ASSI { 3641}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     3.300     2.700 peak  3641 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.627 ppm2      7.490 CV     1
 ASSI { 3642}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 56   and name HD2 ))
      2.700     0.900     0.900 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.961 ppm2      6.928 CV     1
 ASSI { 3643}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.919 ppm2      8.538 CV     1
 ASSI { 3645}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.248 ppm2      7.294 CV     1
 ASSI { 3647}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.800     3.800     2.200 peak  3647 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.247 ppm2      2.572 CV     1
 ASSI { 3652}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     3.500     2.500 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.659 ppm2      4.334 CV     1
 ASSI { 3653}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 79   and name HG2%)
      3.500     1.500     1.500 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.133 ppm2      1.381 CV     1
 ASSI { 3654}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     3.000     3.000 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.731 ppm2      3.175 CV     1
 ASSI { 3655}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.142 ppm2     10.153 CV     1
 ASSI { 3656}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HD22))
      2.800     2.800     3.200 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.883 ppm2      6.892 CV     1
 ASSI { 3657}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.294 ppm2      6.612 CV     1
 ASSI { 3659}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     0.900     0.900 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.594 ppm2      7.522 CV     1
 ASSI { 3660}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 87   and name HD22))
      2.900     2.900     3.100 peak  3660 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.089 ppm2      6.902 CV     1
 ASSI { 3662}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.400     0.700     0.700 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.326 ppm2      8.329 CV     1
 ASSI { 3664}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     3.000     3.000 peak  3664 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.309 ppm2      1.233 CV     1
 ASSI { 3665}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.300     1.300     1.300 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.309 ppm2      0.899 CV     1
 ASSI { 3666}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.232 ppm2      5.525 CV     1
 ASSI { 3667}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 30   and name HG2 ))
      3.800     1.800     1.800 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.238 ppm2      2.745 CV     1
 ASSI { 3668}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      2.500     0.800     0.800 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.948 ppm2      5.829 CV     1
 ASSI {    1}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HE1 ))
      3.700     1.700     1.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.987 ppm2      9.771 CV     1
 ASSI {    2}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak     2 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.983 ppm2      8.730 CV     1
 ASSI {    4}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD21))
      3.700     1.700     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.983 ppm2      8.175 CV     1
 ASSI {    5}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.983 ppm2      7.518 CV     1
 ASSI {    6}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      4.000     2.000     2.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.982 ppm2      7.009 CV     1
 ASSI {    7}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      4.100     2.100     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.987 ppm2      6.604 CV     1
 ASSI {    8}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      2.900     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.984 ppm2      5.499 CV     1
 ASSI {   11}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.982 ppm2      3.447 CV     1
 ASSI {   12}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     3.300     2.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.983 ppm2      3.228 CV     1
 ASSI {   15}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     1.700     1.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.978 ppm2      1.803 CV     1
 ASSI {   17}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     3.500     2.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.982 ppm2      1.236 CV     1
 ASSI {   18}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.300     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.984 ppm2      0.895 CV     1
 ASSI {   19}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      3.900     1.900     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1     10.126 ppm2      1.357 CV     1
 ASSI {   20}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.121 ppm2      8.644 CV     1
 ASSI {   21}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.122 ppm2      8.053 CV     1
 ASSI {   22}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD% )
      3.800     1.800     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.120 ppm2      6.895 CV     1
 ASSI {   24}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1     10.120 ppm2      4.475 CV     1
 ASSI {   25}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.120 ppm2      4.116 CV     1
 ASSI {   32}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.200     1.300     1.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.230 ppm2      7.879 CV     1
 ASSI {   33}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HD2 ))
      2.900     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.234 ppm2      6.855 CV     1
 ASSI {   34}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      3.600     3.600     2.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.229 ppm2      3.879 CV     1
 ASSI {   35}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.600     1.600     1.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.230 ppm2      2.850 CV     1
 ASSI {   36}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.230 ppm2      2.291 CV     1
 ASSI {   39}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.326 ppm2      8.888 CV     1
 ASSI {   40}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.300     1.300 peak    40 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.328 ppm2      8.636 CV     1
 ASSI {   42}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.100     1.200     1.200 peak    42 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.327 ppm2      6.652 CV     1
 ASSI {   43}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.700     1.700     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.330 ppm2      6.159 CV     1
 ASSI {   44}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.326 ppm2      5.552 CV     1
 ASSI {   46}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.328 ppm2      4.765 CV     1
 ASSI {   49}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.328 ppm2      2.650 CV     1
 ASSI {   51}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.900     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.327 ppm2      1.834 CV     1
 ASSI {   52}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.500     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.327 ppm2      1.619 CV     1
 ASSI {   53}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.600     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.327 ppm2      1.438 CV     1
 ASSI {   57}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.400     1.500     1.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.327 ppm2      0.425 CV     1
 ASSI {   58}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.200     1.300     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.198 ppm2      7.706 CV     1
 ASSI {   62}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.900     1.900     1.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.199 ppm2      0.411 CV     1
 ASSI {   64}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak    64 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.573 ppm2      9.167 CV     1
 ASSI {   67}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.569 ppm2      7.467 CV     1
 ASSI {   68}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.569 ppm2      7.127 CV     1
 ASSI {   70}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     3.400     2.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.568 ppm2      5.496 CV     1
 ASSI {   73}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.565 ppm2      4.159 CV     1
 ASSI {   76}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.500     1.500     1.500 peak    76 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.569 ppm2      2.737 CV     1
 ASSI {   77}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.200     2.200     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.570 ppm2      2.590 CV     1
 ASSI {   79}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
      3.800     1.800     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.571 ppm2      0.644 CV     1
 ASSI {   80}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.600     1.600     1.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.195 ppm2      1.806 CV     1
 ASSI {   81}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.249 ppm2      8.418 CV     1
 ASSI {   82}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     3.200     2.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.250 ppm2      7.489 CV     1
 ASSI {   83}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.100     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.251 ppm2      6.836 CV     1
 ASSI {   85}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.250 ppm2      3.171 CV     1
 ASSI {   86}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      3.900     1.900     1.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.250 ppm2      2.523 CV     1
 ASSI {   89}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      3.600     1.600     1.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.250 ppm2      1.626 CV     1
 ASSI {   90}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.500     1.500     1.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.251 ppm2      0.812 CV     1
 ASSI {   91}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.155 ppm2      8.709 CV     1
 ASSI {   92}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.154 ppm2      7.363 CV     1
 ASSI {   93}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.100     1.200     1.200 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.157 ppm2      7.141 CV     1
 ASSI {   94}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD% )
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.155 ppm2      6.904 CV     1
 ASSI {   95}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.157 ppm2      5.472 CV     1
 ASSI {   98}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      4.000     2.000     2.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.155 ppm2      3.719 CV     1
 ASSI {  102}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
      3.400     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.155 ppm2      0.641 CV     1
 ASSI {  108}
   (( segid "    " and resid 90   and name HE1 ))
   (  segid "    " and resid 62   and name HD% )
      3.000     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.331 ppm2      7.122 CV     1
 ASSI {  111}
   (( segid "    " and resid 90   and name HE1 ))
   (( segid "    " and resid 90   and name HA  ))
      3.500     3.500     2.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1     10.329 ppm2      4.977 CV     1
 ASSI {  112}
   (( segid "    " and resid 90   and name HE1 ))
   (( segid "    " and resid 90   and name HB1 ))
      3.600     1.600     1.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.329 ppm2      3.477 CV     1
 ASSI {  113}
   (( segid "    " and resid 90   and name HE1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     3.200     2.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.329 ppm2      3.033 CV     1
 ASSI {  114}
   (( segid "    " and resid 90   and name HE1 ))
   (( segid "    " and resid 90   and name HB2 ))
      3.700     1.700     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.331 ppm2      2.478 CV     1
 ASSI {  115}
   (( segid "    " and resid 90   and name HE1 ))
   (( segid "    " and resid 87   and name HB1 ))
      3.700     1.700     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.330 ppm2      2.099 CV     1
 ASSI {  116}
   (( segid "    " and resid 90   and name HE1 ))
   (( segid "    " and resid 87   and name HB2 ))
      3.000     1.100     1.100 peak   116 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.330 ppm2      1.702 CV     1
 ASSI {  118}
   (( segid "    " and resid 90   and name HE1 ))
   (  segid "    " and resid 84   and name HD1%)
      2.400     2.400     3.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1     10.331 ppm2      1.038 CV     1
 ASSI {  122}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     2.400     3.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.635 ppm2      4.498 CV     1
 ASSI {  124}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.634 ppm2      1.824 CV     1
 ASSI {  127}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.768 ppm2      7.529 CV     1
 ASSI {  129}
   (( segid "    " and resid 10   and name HE1 ))
   (  segid "    " and resid 17   and name HE% )
      3.200     1.300     1.300 peak   129 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.766 ppm2      6.633 CV     1
 ASSI {  130}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HD1 ))
      2.800     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.767 ppm2      5.495 CV     1
 ASSI {  135}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     3.600     2.400 peak   135 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.766 ppm2      1.838 CV     1
 ASSI {  136}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 15   and name HG1 ))
      4.300     2.400     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.766 ppm2      1.343 CV     1
 ASSI {  138}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.768 ppm2      0.343 CV     1
 ASSI {  143}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      4.400     2.400     1.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.640 ppm2     -0.170 CV     1
 ASSI {  144}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.635 ppm2      9.233 CV     1
 ASSI {  147}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.900     1.900     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.635 ppm2      3.236 CV     1
 ASSI {  150}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      4.000     2.000     2.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.636 ppm2      1.066 CV     1
 ASSI {  153}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.700     1.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.374 ppm2      9.612 CV     1
 ASSI {  156}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.374 ppm2      4.159 CV     1
 ASSI {  157}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HE1 ))
      3.600     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.374 ppm2      2.941 CV     1
 ASSI {  160}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG11))
      2.800     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.374 ppm2      1.254 CV     1
 OR {  160}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG12))
 ASSI {  161}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.900     1.900     1.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.374 ppm2      0.892 CV     1
 ASSI {  164}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      2.400     2.400     3.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.378 ppm2      7.120 CV     1
 ASSI {  165}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD% )
      3.300     1.400     1.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.377 ppm2      6.927 CV     1
 ASSI {  170}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HD1 ))
      3.400     1.500     1.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.379 ppm2      3.451 CV     1
 ASSI {  174}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.376 ppm2      1.299 CV     1
 ASSI {  175}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.600     1.600     1.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.378 ppm2      0.622 CV     1
 ASSI {  177}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.700     1.700     1.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.859 ppm2      8.230 CV     1
 ASSI {  178}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.860 ppm2      2.682 CV     1
 ASSI {  180}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak   180 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.852 ppm2      8.611 CV     1
 ASSI {  181}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.853 ppm2      8.410 CV     1
 ASSI {  182}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.852 ppm2      7.742 CV     1
 ASSI {  184}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.851 ppm2      4.873 CV     1
 ASSI {  186}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.200     3.200     2.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.850 ppm2      4.049 CV     1
 ASSI {  188}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak   188 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.852 ppm2      1.876 CV     1
 ASSI {  189}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG  ))
      3.700     1.700     1.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.851 ppm2      1.639 CV     1
 ASSI {  192}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.200     1.300     1.300 peak   192 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.852 ppm2      0.427 CV     1
 ASSI {  193}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      4.200     2.200     1.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.849 ppm2     -0.161 CV     1
 ASSI {  194}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.679 ppm2      4.455 CV     1
 ASSI {  195}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.500     1.500     1.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.682 ppm2      2.725 CV     1
 ASSI {  199}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak   199 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.680 ppm2      8.068 CV     1
 ASSI {  201}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.300     1.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.675 ppm2      2.552 CV     1
 ASSI {  205}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.500     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.908 ppm2      7.046 CV     1
 ASSI {  206}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      4.100     2.200     1.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.909 ppm2      6.595 CV     1
 ASSI {  207}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.910 ppm2      5.477 CV     1
 ASSI {  219}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.100     3.100     2.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.276 ppm2      1.882 CV     1
 ASSI {  221}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      2.400     2.400     3.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.270 ppm2      1.422 CV     1
 ASSI {  222}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.500     1.600     1.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.275 ppm2      1.208 CV     1
 ASSI {  223}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak   223 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.537 ppm2      8.987 CV     1
 ASSI {  224}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.537 ppm2      8.498 CV     1
 ASSI {  226}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.538 ppm2      5.497 CV     1
 ASSI {  228}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.537 ppm2      3.715 CV     1
 ASSI {  230}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     3.500     2.500 peak   230 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.530 ppm2      2.964 CV     1
 ASSI {  235}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.700     3.700     2.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.538 ppm2      0.922 CV     1
 ASSI {  237}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.603 ppm2      8.834 CV     1
 ASSI {  239}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     3.800     2.200 peak   239 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.604 ppm2      4.192 CV     1
 ASSI {  240}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.300     3.300     2.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.604 ppm2      3.787 CV     1
 ASSI {  241}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      3.400     1.500     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.603 ppm2      1.835 CV     1
 ASSI {  244}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      3.800     1.800     1.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.201 ppm2      1.347 CV     1
 ASSI {  245}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.602 ppm2      5.285 CV     1
 ASSI {  247}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.600     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.604 ppm2      2.954 CV     1
 ASSI {  248}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.100     1.200     1.200 peak   248 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.603 ppm2      2.384 CV     1
 ASSI {  250}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.900     1.900     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.603 ppm2      0.889 CV     1
 ASSI {  251}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     3.700     2.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.204 ppm2      5.238 CV     1
 ASSI {  258}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.300     1.400     1.400 peak   258 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.202 ppm2      2.106 CV     1
 ASSI {  261}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 98   and name HG1%)
      3.700     1.700     1.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.122 ppm2      0.820 CV     1
 ASSI {  264}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.000     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.226 ppm2      3.984 CV     1
 ASSI {  266}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 98   and name HG1%)
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.224 ppm2      0.815 CV     1
 ASSI {  270}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.400     2.400     3.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.121 ppm2      4.758 CV     1
 ASSI {  272}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      3.300     3.300     2.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.122 ppm2      3.885 CV     1
 ASSI {  273}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.200     1.300     1.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.120 ppm2      3.042 CV     1
 ASSI {  274}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.900     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.120 ppm2      1.692 CV     1
 ASSI {  275}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.120 ppm2      1.374 CV     1
 ASSI {  276}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.228 ppm2      7.974 CV     1
 ASSI {  278}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.229 ppm2      4.767 CV     1
 ASSI {  279}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.900     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.228 ppm2      3.008 CV     1
 ASSI {  281}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.358 ppm2      8.610 CV     1
 ASSI {  284}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.358 ppm2      7.737 CV     1
 ASSI {  292}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.700     1.700     1.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.355 ppm2      4.336 CV     1
 ASSI {  301}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.357 ppm2      1.630 CV     1
 ASSI {  305}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 72   and name HG12))
      3.700     1.700     1.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.358 ppm2      0.769 CV     1
 OR {  305}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 72   and name HG11))
 ASSI {  306}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      4.100     2.100     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.357 ppm2      0.421 CV     1
 ASSI {  307}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.100     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.360 ppm2     -0.165 CV     1
 ASSI {  309}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.700     3.700     2.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.052 ppm2      4.767 CV     1
 ASSI {  313}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.300     1.300     1.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.254 ppm2      6.660 CV     1
 ASSI {  317}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      2.800     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.254 ppm2      3.043 CV     1
 ASSI {  318}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.400     1.400     1.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.253 ppm2      2.707 CV     1
 ASSI {  320}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.900     1.900     1.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.253 ppm2      1.880 CV     1
 ASSI {  321}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.253 ppm2      1.654 CV     1
 ASSI {  322}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.700     1.700     1.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.253 ppm2      1.423 CV     1
 ASSI {  323}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.400     2.400     3.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.248 ppm2      1.099 CV     1
 ASSI {  325}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   325 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.348 ppm2      4.630 CV     1
 ASSI {  329}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.000     2.000     2.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.351 ppm2      3.761 CV     1
 ASSI {  330}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HD1 ))
      2.400     2.400     3.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.349 ppm2      3.583 CV     1
 ASSI {  331}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HE1 ))
      2.900     1.100     1.100 peak   331 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.350 ppm2      2.924 CV     1
 ASSI {  332}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.900     1.000     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.348 ppm2      2.210 CV     1
 ASSI {  333}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.200     2.200     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.350 ppm2      1.957 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.349 ppm2      1.298 CV     1
 ASSI {  337}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.800     1.800     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.349 ppm2      0.890 CV     1
 ASSI {  338}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.000     1.100     1.100 peak   338 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.351 ppm2      0.570 CV     1
 ASSI {  340}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.061 ppm2      8.533 CV     1
 ASSI {  341}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     3.300     2.700 peak   341 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.060 ppm2      7.446 CV     1
 ASSI {  342}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD% )
      2.800     1.000     1.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.061 ppm2      6.889 CV     1
 ASSI {  343}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak   343 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.061 ppm2      4.122 CV     1
 ASSI {  344}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.061 ppm2      3.669 CV     1
 ASSI {  345}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     1.100     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.061 ppm2      3.192 CV     1
 OR {  345}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  346}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.300     1.300     1.300 peak   346 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.061 ppm2      2.554 CV     1
 ASSI {  351}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.465 ppm2      9.037 CV     1
 ASSI {  353}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.100     1.100 peak   353 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      7.763 CV     1
 ASSI {  354}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.465 ppm2      7.440 CV     1
 ASSI {  357}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   357 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      4.551 CV     1
 ASSI {  359}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      2.900     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.464 ppm2      3.496 CV     1
 ASSI {  360}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD2 ))
      3.900     1.900     1.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.469 ppm2      3.014 CV     1
 ASSI {  361}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.800     1.800     1.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.467 ppm2      2.693 CV     1
 ASSI {  362}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.400     3.400     2.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.471 ppm2      2.502 CV     1
 ASSI {  363}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      2.233 CV     1
 ASSI {  364}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      1.894 CV     1
 ASSI {  365}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      1.642 CV     1
 ASSI {  367}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      3.200     1.300     1.300 peak   367 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.466 ppm2      0.405 CV     1
 ASSI {  370}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.537 ppm2      8.283 CV     1
 ASSI {  372}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.537 ppm2      7.564 CV     1
 ASSI {  373}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.538 ppm2      7.271 CV     1
 ASSI {  374}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HD2 ))
      3.800     1.800     1.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.535 ppm2      6.873 CV     1
 ASSI {  376}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.536 ppm2      4.242 CV     1
 ASSI {  378}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.538 ppm2      3.459 CV     1
 ASSI {  387}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.537 ppm2      0.499 CV     1
 ASSI {  389}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.756 ppm2      8.192 CV     1
 ASSI {  390}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.756 ppm2      5.171 CV     1
 ASSI {  392}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.754 ppm2      4.611 CV     1
 ASSI {  395}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.900     1.900     1.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.756 ppm2      2.264 CV     1
 ASSI {  398}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      3.400     1.500     1.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.757 ppm2      0.863 CV     1
 OR {  398}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  401}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     3.500     2.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.214 ppm2      4.746 CV     1
 ASSI {  403}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.206 ppm2      8.591 CV     1
 ASSI {  405}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.206 ppm2      7.399 CV     1
 ASSI {  406}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HD% )
      2.400     2.400     3.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.206 ppm2      6.906 CV     1
 ASSI {  407}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HE% )
      2.400     2.400     3.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.205 ppm2      6.704 CV     1
 ASSI {  412}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.300     2.300     1.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.206 ppm2      2.646 CV     1
 ASSI {  415}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
      3.500     3.500     2.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.205 ppm2      1.768 CV     1
 ASSI {  417}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      3.700     1.700     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.206 ppm2      1.370 CV     1
 ASSI {  418}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 79   and name HG1%)
      3.500     1.500     1.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.205 ppm2      1.196 CV     1
 ASSI {  424}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.900     3.900     2.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.139 ppm2      2.076 CV     1
 ASSI {  426}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.746 ppm2      8.880 CV     1
 ASSI {  427}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak   427 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.745 ppm2      8.627 CV     1
 ASSI {  432}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.743 ppm2      3.387 CV     1
 ASSI {  439}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.500     1.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.746 ppm2     -0.169 CV     1
 ASSI {  440}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.141 ppm2      8.860 CV     1
 ASSI {  441}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.138 ppm2      8.114 CV     1
 ASSI {  444}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.137 ppm2      3.553 CV     1
 ASSI {  445}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     3.600     2.400 peak   445 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.138 ppm2      2.977 CV     1
 ASSI {  449}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.500     2.600     1.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.139 ppm2      1.711 CV     1
 ASSI {  452}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      2.800     1.000     1.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.138 ppm2      0.833 CV     1
 ASSI {  453}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      4.100     2.100     1.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.139 ppm2      0.429 CV     1
 ASSI {  454}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.700     1.700     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.140 ppm2     -0.132 CV     1
 ASSI {  455}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.818 ppm2      7.582 CV     1
 ASSI {  461}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      4.100     2.100     1.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.817 ppm2      1.710 CV     1
 ASSI {  464}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.100     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.815 ppm2      0.549 CV     1
 ASSI {  470}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.100     1.100 peak   470 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.541 ppm2      7.610 CV     1
 ASSI {  472}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 78   and name HE% )
      3.900     1.900     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.544 ppm2      6.689 CV     1
 ASSI {  477}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.542 ppm2      0.823 CV     1
 ASSI {  479}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.404 ppm2      9.214 CV     1
 ASSI {  480}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.000     1.100     1.100 peak   480 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.403 ppm2      6.656 CV     1
 ASSI {  481}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.000     1.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.405 ppm2      6.171 CV     1
 ASSI {  484}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.900     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.404 ppm2      3.033 CV     1
 ASSI {  488}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 15   and name HG1 ))
      2.400     2.400     3.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.404 ppm2      1.388 CV     1
 ASSI {  489}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.405 ppm2      1.109 CV     1
 ASSI {  493}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.981 ppm2      4.766 CV     1
 ASSI {  496}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.600     3.600     2.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.979 ppm2      3.742 CV     1
 ASSI {  497}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.700     3.700     2.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.982 ppm2      3.067 CV     1
 ASSI {  498}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      4.200     2.300     1.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.979 ppm2      2.928 CV     1
 ASSI {  499}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HG1 ))
      3.700     1.700     1.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.979 ppm2      2.187 CV     1
 ASSI {  506}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.400     3.400     2.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.868 ppm2      8.119 CV     1
 ASSI {  511}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.871 ppm2      3.715 CV     1
 ASSI {  512}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.100     1.200     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.870 ppm2      2.842 CV     1
 ASSI {  513}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.700     1.700     1.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.865 ppm2      2.015 CV     1
 ASSI {  514}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      2.800     1.000     1.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.870 ppm2      1.061 CV     1
 ASSI {  516}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.730 ppm2      9.395 CV     1
 ASSI {  517}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.724 ppm2      9.193 CV     1
 ASSI {  519}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.500     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.726 ppm2      7.937 CV     1
 ASSI {  523}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.100     1.200     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.729 ppm2      7.019 CV     1
 ASSI {  524}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HE% )
      3.500     1.500     1.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.730 ppm2      6.654 CV     1
 ASSI {  525}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.730 ppm2      5.648 CV     1
 ASSI {  526}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.726 ppm2      5.224 CV     1
 ASSI {  527}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     3.200     2.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.726 ppm2      4.931 CV     1
 ASSI {  528}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.725 ppm2      4.618 CV     1
 ASSI {  529}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.724 ppm2      3.870 CV     1
 ASSI {  530}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.900     1.900     1.900 peak   530 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.727 ppm2      3.502 CV     1
 ASSI {  532}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.700     0.900     0.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.729 ppm2      2.706 CV     1
 ASSI {  533}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     3.500     2.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.727 ppm2      2.261 CV     1
 ASSI {  534}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.300     3.300     2.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.726 ppm2      2.074 CV     1
 ASSI {  536}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.600     1.600     1.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.727 ppm2      1.542 CV     1
 ASSI {  539}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.600     1.600     1.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.725 ppm2      0.429 CV     1
 ASSI {  542}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.146 ppm2      8.739 CV     1
 ASSI {  549}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG  ))
      3.600     1.600     1.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.144 ppm2      1.454 CV     1
 ASSI {  550}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   550 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.144 ppm2      1.224 CV     1
 ASSI {  552}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.200     1.300     1.300 peak   552 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.146 ppm2      0.618 CV     1
 ASSI {  554}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.000     1.100     1.100 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.618 ppm2      4.972 CV     1
 ASSI {  555}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     1.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.616 ppm2      4.339 CV     1
 ASSI {  558}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      3.100     1.200     1.200 peak   558 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.617 ppm2      2.471 CV     1
 ASSI {  559}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HG  ))
      3.400     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.616 ppm2      2.247 CV     1
 OR {  559}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
 ASSI {  563}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      3.300     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.613 ppm2      0.889 CV     1
 ASSI {  566}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.400     1.500     1.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.555 ppm2      3.439 CV     1
 ASSI {  569}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
      3.400     1.500     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.558 ppm2      1.637 CV     1
 ASSI {  571}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.549 ppm2      1.057 CV     1
 ASSI {  572}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.000     1.100     1.100 peak   572 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.548 ppm2      0.833 CV     1
 ASSI {  573}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      2.900     1.000     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.549 ppm2      0.624 CV     1
 ASSI {  580}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.200     1.300     1.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.584 ppm2      7.423 CV     1
 ASSI {  581}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 62   and name HE% )
      3.400     3.400     2.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.584 ppm2      6.909 CV     1
 ASSI {  582}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.583 ppm2      6.629 CV     1
 ASSI {  583}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.583 ppm2      4.131 CV     1
 ASSI {  586}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.700     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.583 ppm2      3.181 CV     1
 ASSI {  593}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      4.000     2.000     2.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.583 ppm2      0.892 CV     1
 ASSI {  598}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 62   and name HE% )
      3.400     1.400     1.400 peak   598 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.313 ppm2      6.879 CV     1
 ASSI {  609}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak   609 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.555 ppm2      8.955 CV     1
 ASSI {  610}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.554 ppm2      8.756 CV     1
 ASSI {  611}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.500     1.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.556 ppm2      8.567 CV     1
 ASSI {  612}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.600     1.700     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.556 ppm2      7.011 CV     1
 ASSI {  613}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.555 ppm2      5.927 CV     1
 ASSI {  616}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.900     1.000     1.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.555 ppm2      2.946 CV     1
 ASSI {  618}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak   618 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.555 ppm2      2.374 CV     1
 ASSI {  619}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.400     1.400     1.400 peak   619 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.555 ppm2      2.137 CV     1
 ASSI {  620}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.000     1.100     1.100 peak   620 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.555 ppm2      0.883 CV     1
 ASSI {  621}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      4.000     2.000     2.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.555 ppm2      0.609 CV     1
 ASSI {  623}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.886 ppm2      8.115 CV     1
 ASSI {  625}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.900     1.900     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.886 ppm2      7.138 CV     1
 ASSI {  631}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.700     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.886 ppm2      2.037 CV     1
 ASSI {  634}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      3.600     1.600     1.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.886 ppm2      0.813 CV     1
 ASSI {  635}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.884 ppm2     -0.157 CV     1
 ASSI {  638}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.312 ppm2      3.947 CV     1
 ASSI {  641}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.350 ppm2      8.308 CV     1
 ASSI {  643}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.350 ppm2      3.012 CV     1
 ASSI {  649}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.215 ppm2      7.515 CV     1
 ASSI {  653}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA2 ))
      3.700     3.700     2.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.215 ppm2      3.872 CV     1
 ASSI {  654}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HD1 ))
      3.600     1.600     1.600 peak   654 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.215 ppm2      3.128 CV     1
 ASSI {  658}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.400     1.400     1.400 peak   658 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.214 ppm2      1.041 CV     1
 ASSI {  659}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.600     3.600     2.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.215 ppm2      0.863 CV     1
 ASSI {  660}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.214 ppm2      0.616 CV     1
 ASSI {  661}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.500     1.500     1.500 peak   661 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.902 ppm2      9.213 CV     1
 ASSI {  662}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      2.400     2.400     3.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      7.119 CV     1
 ASSI {  663}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 62   and name HE% )
      3.500     1.500     1.500 peak   663 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      6.925 CV     1
 ASSI {  664}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.400     2.400     3.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      4.514 CV     1
 ASSI {  665}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.100     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      4.125 CV     1
 ASSI {  668}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB  ))
      3.200     1.300     1.300 peak   668 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      2.299 CV     1
 ASSI {  669}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG11))
      2.800     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      1.892 CV     1
 OR {  669}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG12))
 ASSI {  670}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
      2.600     0.800     0.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      1.652 CV     1
 ASSI {  671}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      3.600     1.600     1.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      1.305 CV     1
 ASSI {  672}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      3.800     1.800     1.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      1.043 CV     1
 ASSI {  674}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.400     1.400 peak   674 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.574 ppm2      8.347 CV     1
 ASSI {  675}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.570 ppm2      8.184 CV     1
 ASSI {  676}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HD2 ))
      3.300     1.400     1.400 peak   676 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.573 ppm2      6.923 CV     1
 ASSI {  679}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   679 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.572 ppm2      4.240 CV     1
 ASSI {  681}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.570 ppm2      3.466 CV     1
 ASSI {  690}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.900     1.900     1.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.572 ppm2      0.832 CV     1
 ASSI {  691}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 54   and name HB% )
      3.700     1.700     1.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.573 ppm2      0.544 CV     1
 ASSI {  696}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.214 ppm2      8.503 CV     1
 ASSI {  698}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HD2 ))
      3.200     1.300     1.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.214 ppm2      6.903 CV     1
 ASSI {  700}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.600     1.600     1.600 peak   700 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.215 ppm2      4.521 CV     1
 ASSI {  702}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.214 ppm2      3.486 CV     1
 ASSI {  703}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.400     2.500     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.211 ppm2      2.999 CV     1
 ASSI {  704}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.213 ppm2      1.669 CV     1
 ASSI {  707}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 54   and name HB% )
      3.700     1.700     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.212 ppm2      0.570 CV     1
 ASSI {  711}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.500     0.800     0.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.345 ppm2      7.604 CV     1
 ASSI {  712}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 62   and name HE% )
      3.700     3.700     2.300 peak   712 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.346 ppm2      6.880 CV     1
 ASSI {  714}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     3.500     2.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.346 ppm2      4.316 CV     1
 ASSI {  721}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      4.000     2.000     2.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.164 ppm2      4.726 CV     1
 ASSI {  725}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      3.800     1.800     1.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.641 ppm2      3.703 CV     1
 ASSI {  726}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HD1 ))
      3.800     3.800     2.200 peak   726 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.645 ppm2      2.379 CV     1
 ASSI {  728}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.639 ppm2      6.844 CV     1
 ASSI {  731}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.600     1.600     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.636 ppm2      1.737 CV     1
 ASSI {  733}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   733 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.639 ppm2      1.096 CV     1
 ASSI {  737}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.400     1.400     1.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.410 ppm2      6.839 CV     1
 ASSI {  739}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.411 ppm2      5.459 CV     1
 ASSI {  742}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.410 ppm2      2.670 CV     1
 ASSI {  744}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.400     2.400     3.600 peak   744 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.412 ppm2      2.077 CV     1
 ASSI {  745}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.900     1.900     1.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.411 ppm2      1.842 CV     1
 ASSI {  746}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.600     0.900     0.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.410 ppm2      1.612 CV     1
 ASSI {  748}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.200     1.300     1.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.410 ppm2      0.476 CV     1
 ASSI {  749}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   749 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.050 ppm2      4.768 CV     1
 ASSI {  750}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.500     1.500     1.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.051 ppm2      2.940 CV     1
 ASSI {  751}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.049 ppm2      1.907 CV     1
 ASSI {  752}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      3.400     1.500     1.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.051 ppm2      1.368 CV     1
 ASSI {  760}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.398 ppm2      1.246 CV     1
 ASSI {  761}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      3.400     1.500     1.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.399 ppm2      0.853 CV     1
 ASSI {  766}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.600     1.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.758 ppm2      5.552 CV     1
 ASSI {  770}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      3.200     1.200     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.760 ppm2      3.479 CV     1
 ASSI {  772}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   772 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.758 ppm2      1.891 CV     1
 ASSI {  773}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
      3.800     1.800     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.758 ppm2      1.639 CV     1
 ASSI {  776}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.756 ppm2      9.210 CV     1
 ASSI {  780}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     3.700     2.300 peak   780 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.397 ppm2      5.251 CV     1
 ASSI {  781}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG  ))
      3.800     1.800     1.800 peak   781 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.395 ppm2      1.653 CV     1
 ASSI {  784}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.500     1.500 peak   784 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.554 ppm2      8.523 CV     1
 ASSI {  785}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   785 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.553 ppm2      8.152 CV     1
 ASSI {  786}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.553 ppm2      5.938 CV     1
 ASSI {  789}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.500     1.600     1.600 peak   789 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.551 ppm2      4.730 CV     1
 ASSI {  791}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 48   and name HE1 ))
      3.500     3.500     2.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.548 ppm2      2.934 CV     1
 ASSI {  797}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.513 ppm2      6.588 CV     1
 ASSI {  801}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     3.100     2.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.517 ppm2      3.511 CV     1
 ASSI {  805}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.300     1.300 peak   805 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.366 ppm2      8.603 CV     1
 ASSI {  806}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.367 ppm2      7.397 CV     1
 ASSI {  807}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.367 ppm2      4.115 CV     1
 ASSI {  810}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.100     3.100     2.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.370 ppm2      1.477 CV     1
 ASSI {  820}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      3.600     1.600     1.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.138 ppm2      0.431 CV     1
 ASSI {  825}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HG1 ))
      4.200     2.200     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.124 ppm2      2.700 CV     1
 ASSI {  826}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.400     1.500     1.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.129 ppm2     -0.159 CV     1
 ASSI {  829}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak   829 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.494 ppm2      8.398 CV     1
 ASSI {  832}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     3.400     2.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.497 ppm2      5.471 CV     1
 ASSI {  836}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   836 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.496 ppm2      2.728 CV     1
 ASSI {  837}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.500     1.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.496 ppm2      2.556 CV     1
 ASSI {  838}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      3.600     1.700     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.499 ppm2      2.153 CV     1
 ASSI {  839}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.600     1.600     1.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.496 ppm2      0.854 CV     1
 OR {  839}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI {  842}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.000     1.100     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.233 ppm2      6.656 CV     1
 ASSI {  844}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.300     1.300 peak   844 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.234 ppm2      5.562 CV     1
 ASSI {  846}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.400     1.400 peak   846 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.237 ppm2      5.183 CV     1
 ASSI {  847}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.234 ppm2      4.637 CV     1
 ASSI {  848}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.900     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.234 ppm2      3.247 CV     1
 ASSI {  851}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.700     1.700     1.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.233 ppm2      2.085 CV     1
 ASSI {  855}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      3.400     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.233 ppm2      0.853 CV     1
 OR {  855}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  857}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.900     1.900     1.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.353 ppm2      7.601 CV     1
 ASSI {  861}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.000     1.100     1.100 peak   861 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.357 ppm2      4.025 CV     1
 ASSI {  862}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      3.000     1.100     1.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.353 ppm2      3.504 CV     1
 ASSI {  864}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.341 ppm2      4.765 CV     1
 ASSI {  866}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.500     1.500     1.500 peak   866 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.691 ppm2      1.642 CV     1
 ASSI {  868}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak   868 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.694 ppm2      8.623 CV     1
 ASSI {  869}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.100     1.100 peak   869 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.694 ppm2      8.209 CV     1
 ASSI {  872}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HD1 ))
      3.700     1.700     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.692 ppm2      6.819 CV     1
 ASSI {  874}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.300     1.300 peak   874 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.694 ppm2      4.265 CV     1
 ASSI {  875}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.100     1.200     1.200 peak   875 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.695 ppm2      3.862 CV     1
 ASSI {  880}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      4.973 CV     1
 ASSI {  881}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.000     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      4.494 CV     1
 ASSI {  882}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.100     1.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      4.114 CV     1
 ASSI {  883}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.400     1.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      3.536 CV     1
 ASSI {  884}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      3.600     1.600     1.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      2.496 CV     1
 ASSI {  885}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG  ))
      2.600     0.800     0.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      2.257 CV     1
 ASSI {  886}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      3.000     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.901 ppm2      2.044 CV     1
 ASSI {  889}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      3.600     3.600     2.400 peak   889 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.900 ppm2      0.908 CV     1
 ASSI {  892}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   892 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.451 ppm2      7.763 CV     1
 ASSI {  896}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.500     1.500 peak   896 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.451 ppm2      4.241 CV     1
 ASSI {  899}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.451 ppm2      2.743 CV     1
 ASSI {  900}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.451 ppm2      2.507 CV     1
 ASSI {  904}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.852 ppm2      8.501 CV     1
 ASSI {  906}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      6.852 ppm2      4.490 CV     1
 ASSI {  909}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.853 ppm2      3.189 CV     1
 ASSI {  910}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   910 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.852 ppm2      2.782 CV     1
 ASSI {  914}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.200     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.852 ppm2      1.277 CV     1
 ASSI {  915}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.400     3.400     2.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.852 ppm2      1.153 CV     1
 ASSI {  918}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.600     1.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.685 ppm2      8.697 CV     1
 ASSI {  919}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.200     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.683 ppm2      5.199 CV     1
 ASSI {  924}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG12))
      3.900     1.900     1.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.683 ppm2      1.381 CV     1
 OR {  924}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG11))
 ASSI {  927}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak   927 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.684 ppm2      8.128 CV     1
 ASSI {  930}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.276 ppm2      8.303 CV     1
 ASSI {  931}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 17   and name HD% )
      3.600     3.600     2.400 peak   931 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.276 ppm2      7.017 CV     1
 ASSI {  933}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 78   and name HE% )
      3.800     3.800     2.200 peak   933 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.277 ppm2      6.682 CV     1
 ASSI {  936}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.700     3.700     2.300 peak   936 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.276 ppm2      2.564 CV     1
 ASSI {  941}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak   941 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.978 ppm2      4.771 CV     1
 ASSI {  942}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   942 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.979 ppm2      4.305 CV     1
 ASSI {  945}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   945 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.278 ppm2      3.827 CV     1
 ASSI {  946}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      3.600     1.600     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.276 ppm2      1.564 CV     1
 ASSI {  949}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.707 ppm2      7.551 CV     1
 ASSI {  950}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.100     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.707 ppm2      6.867 CV     1
 ASSI {  953}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.709 ppm2      4.484 CV     1
 ASSI {  954}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   954 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.708 ppm2      3.949 CV     1
 ASSI {  955}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 45   and name HD1 ))
      4.000     2.000     2.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.707 ppm2      3.473 CV     1
 ASSI {  956}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.400     1.400     1.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.708 ppm2      2.900 CV     1
 ASSI {  957}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.000     1.100     1.100 peak   957 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.707 ppm2      1.771 CV     1
 ASSI {  959}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      2.900     1.100     1.100 peak   959 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.707 ppm2      0.857 CV     1
 ASSI {  960}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.600     1.600     1.600 peak   960 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.707 ppm2      0.465 CV     1
 ASSI {  962}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   962 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.308 ppm2      3.065 CV     1
 ASSI {  969}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      4.300     2.400     1.700 peak   969 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.408 ppm2      6.808 CV     1
 ASSI {  971}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak   971 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.407 ppm2      4.767 CV     1
 ASSI {  973}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.408 ppm2      3.634 CV     1
 ASSI {  977}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HB  ))
      3.600     3.600     2.400 peak   977 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.409 ppm2      2.306 CV     1
 ASSI {  979}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     3.300     2.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.410 ppm2      1.488 CV     1
 ASSI {  981}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.700     3.700     2.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.404 ppm2      7.984 CV     1
 ASSI {  982}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      4.000     2.000     2.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.402 ppm2      1.972 CV     1
 ASSI {  984}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.306 ppm2      7.542 CV     1
 ASSI {  985}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.100     1.100 peak   985 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.224 ppm2      8.622 CV     1
 ASSI {  993}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.221 ppm2      4.555 CV     1
 ASSI {  996}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      4.000     2.000     2.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.226 ppm2      3.423 CV     1
 ASSI {  998}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.400     2.400     3.600 peak   998 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.223 ppm2      2.983 CV     1
 ASSI {  999}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.800     1.800     1.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.223 ppm2      2.341 CV     1
 ASSI { 1002}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.600     1.600     1.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.224 ppm2      1.304 CV     1
 ASSI { 1009}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.600     1.600     1.600 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.789 ppm2      1.636 CV     1
 ASSI { 1011}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.591 ppm2      8.182 CV     1
 ASSI { 1012}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.700     2.800     1.300 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.590 ppm2      5.938 CV     1
 ASSI { 1013}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.600     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.591 ppm2      4.721 CV     1
 OR { 1013}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI { 1017}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 48   and name HE1 ))
      3.300     3.300     2.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.591 ppm2      2.902 CV     1
 ASSI { 1019}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      4.000     2.000     2.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.591 ppm2      2.333 CV     1
 ASSI { 1020}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.590 ppm2      1.989 CV     1
 ASSI { 1022}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.800     3.800     2.200 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.593 ppm2      0.890 CV     1
 ASSI { 1023}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.790 ppm2      8.170 CV     1
 ASSI { 1026}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HD1 ))
      3.500     3.500     2.500 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.787 ppm2      6.814 CV     1
 ASSI { 1029}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.790 ppm2      4.559 CV     1
 ASSI { 1031}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.789 ppm2      3.756 CV     1
 ASSI { 1032}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.300     1.300     1.300 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.789 ppm2      3.417 CV     1
 ASSI { 1033}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.700     1.700     1.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.789 ppm2      2.336 CV     1
 ASSI { 1034}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.700     1.700     1.700 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.787 ppm2      1.356 CV     1
 ASSI { 1040}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.160 ppm2      4.215 CV     1
 ASSI { 1041}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.300     1.400     1.400 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.164 ppm2      1.465 CV     1
 ASSI { 1042}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.200     1.300     1.300 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.164 ppm2      1.196 CV     1
 ASSI { 1046}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      6.595 ppm2      4.976 CV     1
 ASSI { 1048}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.100     1.200     1.200 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.600 ppm2      3.917 CV     1
 ASSI { 1049}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HD1 ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.601 ppm2      3.573 CV     1
 ASSI { 1053}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.500     1.600     1.600 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      6.601 ppm2      2.031 CV     1
 ASSI { 1054}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
      3.700     3.700     2.300 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.601 ppm2      1.791 CV     1
 ASSI { 1056}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      2.400     2.400     3.600 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      6.601 ppm2      0.971 CV     1
 ASSI { 1062}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.400     1.400 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.608 ppm2      7.118 CV     1
 ASSI { 1064}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.606 ppm2      4.084 CV     1
 ASSI { 1066}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     1.000     1.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.607 ppm2      3.374 CV     1
 ASSI { 1067}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.900     1.900     1.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.607 ppm2      2.973 CV     1
 ASSI { 1068}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.400     2.400     3.600 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.602 ppm2      2.766 CV     1
 ASSI { 1071}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.200     1.300     1.300 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.602 ppm2      1.720 CV     1
 ASSI { 1075}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 72   and name HG11))
      3.300     1.300     1.300 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.606 ppm2      0.719 CV     1
 ASSI { 1076}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 72   and name HD1%)
      3.000     1.100     1.100 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.608 ppm2     -0.182 CV     1
 ASSI { 1078}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.195 ppm2      8.802 CV     1
 ASSI { 1080}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      3.000     1.100     1.100 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.195 ppm2      7.084 CV     1
 ASSI { 1081}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.193 ppm2      5.943 CV     1
 ASSI { 1082}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.194 ppm2      4.719 CV     1
 OR { 1082}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI { 1084}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.194 ppm2      3.746 CV     1
 ASSI { 1085}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     3.700     2.300 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.194 ppm2      3.492 CV     1
 ASSI { 1087}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.191 ppm2      2.589 CV     1
 ASSI { 1089}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     3.800     2.200 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.190 ppm2      2.071 CV     1
 ASSI { 1095}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      3.800     1.800     1.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.625 ppm2      6.838 CV     1
 ASSI { 1096}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 78   and name HE% )
      3.100     1.200     1.200 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.628 ppm2      6.676 CV     1
 ASSI { 1099}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.600     1.600     1.600 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.626 ppm2      3.962 CV     1
 ASSI { 1100}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.700     3.700     2.300 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.626 ppm2      3.717 CV     1
 ASSI { 1102}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      4.000     2.000     2.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.627 ppm2      3.202 CV     1
 OR { 1102}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1103}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.400     2.400     1.600 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.626 ppm2      3.007 CV     1
 ASSI { 1105}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.600     1.600     1.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.622 ppm2      1.697 CV     1
 ASSI { 1106}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      3.400     3.400     2.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.624 ppm2      1.578 CV     1
 ASSI { 1107}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 79   and name HG1%)
      3.900     1.900     1.900 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.628 ppm2      1.157 CV     1
 ASSI { 1111}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.300     1.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.545 ppm2     10.138 CV     1
 ASSI { 1114}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.200     1.300     1.300 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.544 ppm2      7.408 CV     1
 ASSI { 1115}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HD% )
      2.400     2.400     3.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.547 ppm2      6.874 CV     1
 ASSI { 1116}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.545 ppm2      4.442 CV     1
 ASSI { 1117}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.545 ppm2      4.130 CV     1
 ASSI { 1118}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.546 ppm2      3.674 CV     1
 ASSI { 1119}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.300     1.400     1.400 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.544 ppm2      3.191 CV     1
 OR { 1119}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1120}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.300     1.300 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.547 ppm2      2.553 CV     1
 ASSI { 1123}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
      3.700     1.700     1.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.542 ppm2      1.813 CV     1
 ASSI { 1124}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      3.700     1.700     1.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.547 ppm2      1.367 CV     1
 ASSI { 1125}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HG1%)
      3.100     1.200     1.200 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.546 ppm2      1.155 CV     1
 ASSI { 1126}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      4.100     2.100     1.900 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.541 ppm2      0.901 CV     1
 ASSI { 1129}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.748 ppm2      4.505 CV     1
 ASSI { 1131}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.747 ppm2      1.636 CV     1
 ASSI { 1133}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.514 ppm2      8.724 CV     1
 ASSI { 1134}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.515 ppm2      6.866 CV     1
 ASSI { 1135}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.512 ppm2      5.368 CV     1
 ASSI { 1137}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.600     1.600 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.512 ppm2      4.141 CV     1
 ASSI { 1138}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.511 ppm2      3.167 CV     1
 ASSI { 1139}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.000     1.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.512 ppm2      2.795 CV     1
 ASSI { 1140}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.000     2.000     2.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.512 ppm2      2.247 CV     1
 ASSI { 1141}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.512 ppm2      1.793 CV     1
 ASSI { 1142}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     1.500     1.500 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.511 ppm2      1.257 CV     1
 ASSI { 1145}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.700     1.700     1.700 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.538 ppm2      8.129 CV     1
 ASSI { 1148}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.600     1.600     1.600 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.535 ppm2      6.862 CV     1
 ASSI { 1150}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.533 ppm2      5.130 CV     1
 ASSI { 1152}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.538 ppm2      4.204 CV     1
 ASSI { 1154}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.400     1.400 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.537 ppm2      3.495 CV     1
 ASSI { 1155}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.200     2.200     1.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.536 ppm2      2.895 CV     1
 ASSI { 1156}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.700     2.700     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.537 ppm2      2.618 CV     1
 ASSI { 1159}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      3.800     1.800     1.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.538 ppm2      1.539 CV     1
 ASSI { 1161}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.100     1.200     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.536 ppm2      0.857 CV     1
 ASSI { 1162}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.000     1.100     1.100 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.538 ppm2      0.519 CV     1
 ASSI { 1165}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.508 ppm2      4.502 CV     1
 ASSI { 1166}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.506 ppm2      4.152 CV     1
 ASSI { 1168}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.510 ppm2      3.247 CV     1
 ASSI { 1169}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HE1 ))
      3.800     3.800     2.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.509 ppm2      2.724 CV     1
 ASSI { 1172}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.515 ppm2      1.444 CV     1
 ASSI { 1174}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.600     1.700     1.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.511 ppm2      0.913 CV     1
 ASSI { 1175}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.510 ppm2      0.337 CV     1
 ASSI { 1176}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
      3.300     1.400     1.400 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.836 ppm2      1.669 CV     1
 ASSI { 1177}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.829 ppm2      9.476 CV     1
 ASSI { 1178}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.100     1.100 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.831 ppm2      8.973 CV     1
 ASSI { 1179}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.831 ppm2      7.432 CV     1
 ASSI { 1180}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.832 ppm2      4.750 CV     1
 ASSI { 1183}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.200     1.300     1.300 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.831 ppm2      3.059 CV     1
 ASSI { 1184}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.300     1.400     1.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.832 ppm2      2.734 CV     1
 ASSI { 1185}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.600     1.700     1.700 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.830 ppm2      2.496 CV     1
 ASSI { 1186}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.832 ppm2      2.209 CV     1
 ASSI { 1188}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.000     1.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.545 ppm2      3.068 CV     1
 ASSI { 1194}
   (( segid "    " and resid 32   and name HD21))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.129 ppm2      2.937 CV     1
 ASSI { 1195}
   (( segid "    " and resid 32   and name HD22))
   (( segid "    " and resid 32   and name HB1 ))
      3.900     1.900     1.900 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.922 ppm2      2.938 CV     1
 ASSI { 1196}
   (( segid "    " and resid 32   and name HD22))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      6.925 ppm2      2.492 CV     1
 ASSI { 1197}
   (( segid "    " and resid 32   and name HD21))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.500     1.500 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.128 ppm2      4.256 CV     1
 ASSI { 1199}
   (( segid "    " and resid 32   and name HD21))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     3.500     2.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.128 ppm2      1.891 CV     1
 ASSI { 1203}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.708 ppm2      4.271 CV     1
 ASSI { 1205}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.411 ppm2      4.458 CV     1
 ASSI { 1206}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.700     1.700     1.700 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      9.249 ppm2      4.462 CV     1
 ASSI { 1207}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.250 ppm2      5.235 CV     1
 ASSI { 1208}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.250 ppm2      1.252 CV     1
 ASSI { 1210}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.200     1.200 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.048 ppm2      2.494 CV     1
 ASSI { 1211}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.800     1.800 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      7.828 ppm2      7.758 CV     1
 ASSI { 1212}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.700     3.700     2.300 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.154 ppm2      0.472 CV     1
 ASSI { 1214}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.600     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.154 ppm2      5.149 CV     1
 ASSI { 1215}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      3.700     1.700     1.700 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.155 ppm2      1.615 CV     1
 ASSI { 1216}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      3.700     1.700     1.700 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.679 ppm2      1.355 CV     1
 ASSI { 1217}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 42   and name HG1 ))
      3.800     1.800     1.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.059 ppm2      0.667 CV     1
 ASSI { 1218}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.700     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.059 ppm2      3.727 CV     1
 ASSI { 1219}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.300     1.300 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.057 ppm2      4.464 CV     1
 ASSI { 1220}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     1.100     1.100 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.545 ppm2      1.504 CV     1
 ASSI { 1221}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.368 ppm2      4.475 CV     1
 ASSI { 1222}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.374 ppm2      3.662 CV     1
 ASSI { 1223}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.200     0.600     0.600 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.364 ppm2      7.321 CV     1
 ASSI { 1225}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      3.400     1.500     1.500 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.357 ppm2      2.246 CV     1
 ASSI { 1226}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      7.901 ppm2      7.893 CV     1
 ASSI { 1228}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.700     1.700     1.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.049 ppm2      2.843 CV     1
 ASSI { 1232}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.200     1.300     1.300 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      8.050 ppm2      7.984 CV     1
 ASSI { 1236}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.603 ppm2      9.574 CV     1
 ASSI { 1237}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.602 ppm2      5.933 CV     1
 ASSI { 1238}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.300     2.300     1.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.609 ppm2      2.720 CV     1
 ASSI { 1239}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.504 ppm2      7.655 CV     1
 ASSI { 1242}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     2.400     3.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.647 ppm2      0.339 CV     1
 ASSI { 1243}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 10   and name HE1 ))
      3.200     1.300     1.300 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.507 ppm2      9.746 CV     1
 ASSI { 1244}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      2.900     1.100     1.100 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.511 ppm2      5.493 CV     1
 ASSI { 1245}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.300     1.300 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.507 ppm2      3.260 CV     1
 ASSI { 1246}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.728 ppm2      5.374 CV     1
 ASSI { 1247}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.500     1.600     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.728 ppm2      0.488 CV     1
 ASSI { 1248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      3.300     1.300     1.300 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.728 ppm2      5.502 CV     1
 ASSI { 1250}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 57   and name HD2%)
      3.400     1.400     1.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.553 ppm2      0.495 CV     1
 ASSI { 1251}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.000     3.000     3.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.553 ppm2      1.472 CV     1
 ASSI { 1253}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.817 ppm2      8.558 CV     1
 ASSI { 1254}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.800     1.800     1.800 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.591 ppm2      0.562 CV     1
 ASSI { 1255}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      4.100     2.100     1.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.187 ppm2      2.108 CV     1
 ASSI { 1256}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      2.800     1.000     1.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.190 ppm2      1.287 CV     1
 ASSI { 1258}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 48   and name HE1 ))
      3.800     3.800     2.200 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.157 ppm2      2.932 CV     1
 ASSI { 1259}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.200     2.200     1.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.157 ppm2      2.587 CV     1
 ASSI { 1262}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.400     1.500     1.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.158 ppm2      3.741 CV     1
 ASSI { 1263}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 45   and name HD1 ))
      3.000     1.100     1.100 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.551 ppm2      3.458 CV     1
 ASSI { 1266}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     3.300     2.700 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.398 ppm2      3.173 CV     1
 ASSI { 1267}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.900     1.900     1.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.404 ppm2      1.256 CV     1
 ASSI { 1269}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 34   and name HA1 ))
      4.400     2.500     1.600 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.252 ppm2      4.232 CV     1
 ASSI { 1273}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.200     1.300     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.979 ppm2      2.758 CV     1
 ASSI { 1275}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      3.900     1.900     1.900 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.445 ppm2      1.365 CV     1
 ASSI { 1276}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HD22))
      2.400     2.400     3.600 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.447 ppm2      6.926 CV     1
 ASSI { 1280}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.400     1.400 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.319 ppm2      4.663 CV     1
 ASSI { 1282}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.800     1.800     1.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.400 ppm2      2.649 CV     1
 ASSI { 1283}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.200     3.200     2.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.400 ppm2      3.298 CV     1
 ASSI { 1284}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.900     1.100     1.100 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.400 ppm2      2.218 CV     1
 ASSI { 1287}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.400     3.400     2.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.401 ppm2      2.557 CV     1
 ASSI { 1288}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 26   and name HG11))
      3.600     3.600     2.400 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.499 ppm2      1.904 CV     1
 ASSI {  121}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.496 ppm2      7.904 CV     1
 OR {  121}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  186}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HD2 ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.277 ppm2      2.907 CV     1
 OR {  186}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  194}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 79   and name HG2%)
      3.200     1.300     1.300 peak   194 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.567 ppm2      1.334 CV     1
 OR {  194}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 60   and name HB% )
 ASSI {  290}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      3.200     1.300     1.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.161 ppm2      0.898 CV     1
 OR {  290}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
 OR {  290}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  375}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.500     0.800     0.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.153 ppm2      8.561 CV     1
 OR {  375}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  403}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
      3.100     1.200     1.200 peak   403 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.387 ppm2      0.818 CV     1
 OR {  403}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 72   and name HG12))
 ASSI {  441}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.136 ppm2      7.871 CV     1
 OR {  441}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
 OR {  441}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI {  443}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     3.100     2.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.135 ppm2      3.702 CV     1
 OR {  443}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI {  446}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      3.400     1.400     1.400 peak   446 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      4.136 ppm2      1.691 CV     1
 OR {  446}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  502}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.900     0.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.530 ppm2      7.721 CV     1
 OR {  502}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  585}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.900     2.900     3.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.431 ppm2      3.986 CV     1
 OR {  585}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 52   and name HA1 ))
 ASSI {  663}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.650 ppm2      7.904 CV     1
 OR {  663}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI {  678}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.757 ppm2      4.193 CV     1
 OR {  678}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  712}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     3.000     3.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.309 ppm2      4.880 CV     1
 OR {  712}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  738}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.700     2.700     3.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.815 ppm2      3.024 CV     1
 OR {  738}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  769}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG11))
      3.200     1.300     1.300 peak   769 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.624 ppm2      1.278 CV     1
 OR {  769}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  824}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG12))
      2.900     1.000     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.907 ppm2      1.076 CV     1
 OR {  824}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG11))
 OR {  824}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  826}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 72   and name HG2%)
      2.900     1.100     1.100 peak   826 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.907 ppm2      0.449 CV     1
 OR {  826}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 36   and name HG1%)
 ASSI {  875}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 51   and name HD2%)
      3.100     3.100     2.900 peak   875 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.707 ppm2      0.899 CV     1
 OR {  875}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 53   and name HD1%)
 ASSI {  879}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      3.000     1.100     1.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.282 ppm2      0.626 CV     1
 OR {  879}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI {  895}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      3.100     1.200     1.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.875 ppm2      1.253 CV     1
 OR {  895}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1029}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.635 ppm2      2.956 CV     1
 OR { 1029}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1058}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.700     1.700     1.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.631 ppm2      2.722 CV     1
 OR { 1058}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1059}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.506 ppm2      7.905 CV     1
 OR { 1059}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 1149}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.800     1.800     1.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.493 ppm2      2.050 CV     1
 OR { 1149}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 1199}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.700     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.285 ppm2      4.770 CV     1
 OR { 1199}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1250}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 72   and name HG12))
      3.800     1.800     1.800 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.189 ppm2      0.806 CV     1
 OR { 1250}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
 ASSI { 1251}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     1.300     1.300 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.190 ppm2      0.746 CV     1
 OR { 1251}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 1252}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 72   and name HG2%)
      3.200     1.300     1.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.190 ppm2      0.448 CV     1
 OR { 1252}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 36   and name HG1%)
 ASSI { 1350}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      3.500     1.600     1.600 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      5.128 ppm2      0.493 CV     1
 OR { 1350}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 1385}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.899 ppm2      4.163 CV     1
 OR { 1385}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1404}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HG1 ))
      3.100     1.200     1.200 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.899 ppm2      1.914 CV     1
 OR { 1404}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI { 1427}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     1.300     1.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.965 ppm2      7.607 CV     1
 OR { 1427}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1433}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.200     1.200 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.960 ppm2      1.687 CV     1
 OR { 1433}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1505}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.200     1.200 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.097 ppm2      9.257 CV     1
 OR { 1505}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1531}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HG1 ))
      2.600     0.900     0.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.095 ppm2      1.626 CV     1
 OR { 1531}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 1565}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.265 ppm2      7.900 CV     1
 OR { 1565}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1571}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.200     0.600     0.600 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.078 ppm2      7.901 CV     1
 OR { 1571}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1597}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      2.900     1.100     1.100 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.247 ppm2      0.890 CV     1
 OR { 1597}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 1601}
   (( segid "    " and resid 100  and name HE1 ))
   (( segid "    " and resid 100  and name HD1 ))
      2.800     1.000     1.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.964 ppm2      1.677 CV     1
 OR { 1601}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HD1 ))
 OR { 1601}
   (( segid "    " and resid 29   and name HE1 ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1617}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 31   and name HG1 ))
      2.900     1.000     1.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.078 ppm2      1.663 CV     1
 OR { 1617}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 29   and name HD1 ))
 ASSI { 1618}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 73   and name HG2%)
      3.100     1.200     1.200 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.078 ppm2      0.876 CV     1
 OR { 1618}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI { 1636}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.298 ppm2      9.192 CV     1
 OR { 1636}
   (( segid "    " and resid 72   and name HB  ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1668}
   (( segid "    " and resid 7    and name HE1 ))
   (  segid "    " and resid 9    and name HG2%)
      3.200     3.200     2.800 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.962 ppm2      0.919 CV     1
 OR { 1668}
   (( segid "    " and resid 7    and name HE1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 1668}
   (( segid "    " and resid 7    and name HE1 ))
   (  segid "    " and resid 9    and name HG1%)
 ASSI { 1676}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.700     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.713 ppm2      1.362 CV     1
 OR { 1676}
   (( segid "    " and resid 7    and name HE2 ))
   (( segid "    " and resid 7    and name HD2 ))
 OR { 1676}
   (( segid "    " and resid 7    and name HE2 ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI { 1677}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HG1 ))
      2.900     1.100     1.100 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.713 ppm2      1.093 CV     1
 OR { 1677}
   (( segid "    " and resid 7    and name HE2 ))
   (( segid "    " and resid 7    and name HG1 ))
 ASSI { 1691}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 65   and name HB% )
      2.200     0.600     0.600 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.648 ppm2      1.376 CV     1
 OR { 1691}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HG11))
 ASSI { 1720}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
      2.800     1.000     1.000 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.283 ppm2      0.745 CV     1
 OR { 1720}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI { 1734}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.400     0.700     0.700 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.227 ppm2      3.970 CV     1
 OR { 1734}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 1755}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HD1 ))
      3.500     1.500     1.500 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.124 ppm2      3.522 CV     1
 OR { 1755}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 1765}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      3.000     1.100     1.100 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.637 ppm2      0.453 CV     1
 OR { 1765}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 72   and name HG2%)
 ASSI { 1860}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.156 ppm2      4.154 CV     1
 OR { 1860}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1959}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.237 ppm2      1.232 CV     1
 OR { 1959}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI { 1960}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.400     1.400 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.232 ppm2      0.897 CV     1
 OR { 1960}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI { 1961}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.223 ppm2      9.260 CV     1
 OR { 1961}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1999}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 36   and name HB  ))
      2.800     1.000     1.000 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.951 ppm2      1.373 CV     1
 OR { 1999}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2008}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     1.200     1.200 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.506 ppm2      1.937 CV     1
 OR { 2008}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2009}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 36   and name HB  ))
      2.800     1.000     1.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.504 ppm2      1.388 CV     1
 OR { 2009}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2022}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.600     3.600     2.400 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.652 ppm2      2.111 CV     1
 OR { 2022}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 40   and name HB  ))
 ASSI { 2028}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 72   and name HG11))
      3.300     1.400     1.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.528 ppm2      0.755 CV     1
 OR { 2028}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 2043}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 94   and name HN  ))
      3.000     1.100     1.100 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.317 ppm2      7.903 CV     1
 OR { 2043}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 2044}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.200     1.300     1.300 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.314 ppm2      4.145 CV     1
 OR { 2044}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI { 2074}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.364 ppm2      7.556 CV     1
 OR { 2074}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 2077}
   (( segid "    " and resid 23   and name HG1 ))
   (  segid "    " and resid 24   and name HB% )
      3.500     3.500     2.500 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.367 ppm2      1.354 CV     1
 OR { 2077}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2128}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 59   and name HG2%)
      3.300     1.400     1.400 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.050 ppm2      1.333 CV     1
 OR { 2128}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 2129}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 59   and name HG2%)
      3.500     1.500     1.500 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.050 ppm2      1.299 CV     1
 OR { 2129}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 93   and name HD1%)
 ASSI { 2174}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.128 ppm2      7.482 CV     1
 OR { 2174}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2178}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.951 ppm2      7.759 CV     1
 OR { 2178}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 2181}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 36   and name HG2%)
      2.900     1.100     1.100 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.937 ppm2      0.402 CV     1
 OR { 2181}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 36   and name HG1%)
 OR { 2181}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI { 2314}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HD1 ))
      3.500     1.500     1.500 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.220 ppm2      3.533 CV     1
 OR { 2314}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HD1 ))
 ASSI { 2316}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.216 ppm2      8.341 CV     1
 OR { 2316}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 2319}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.300     0.700     0.700 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      2.216 ppm2      1.687 CV     1
 OR { 2319}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 2320}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 8    and name HG11))
      3.600     1.600     1.600 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.216 ppm2      1.274 CV     1
 OR { 2320}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI { 2350}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.475 ppm2      7.894 CV     1
 OR { 2350}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 2513}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 79   and name HB  ))
      2.600     0.900     0.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.575 ppm2      2.290 CV     1
 OR { 2513}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
 OR { 2513}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 58   and name HB1 ))
 ASSI { 2522}
   (( segid "    " and resid 93   and name HG  ))
   (( segid "    " and resid 93   and name HN  ))
      2.400     0.700     0.700 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.245 ppm2      7.889 CV     1
 OR { 2522}
   (( segid "    " and resid 93   and name HG  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 2546}
   (( segid "    " and resid 100  and name HD1 ))
   (( segid "    " and resid 100  and name HE1 ))
      2.800     1.000     1.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.667 ppm2      2.964 CV     1
 OR { 2546}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HE1 ))
 ASSI { 2569}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 9    and name HG1%)
      3.700     1.700     1.700 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      3.442 ppm2      0.889 CV     1
 OR { 2569}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2609}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.361 ppm2      4.166 CV     1
 OR { 2609}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HA  ))
 OR { 2609}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 2687}
   (( segid "    " and resid 94   and name HG11))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.900 ppm2      7.903 CV     1
 OR { 2687}
   (( segid "    " and resid 94   and name HG11))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 2725}
   (( segid "    " and resid 72   and name HG12))
   (  segid "    " and resid 94   and name HG2%)
      3.500     1.600     1.600 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.810 ppm2      1.647 CV     1
 OR { 2725}
   (( segid "    " and resid 72   and name HG12))
   (( segid "    " and resid 70   and name HB  ))
 ASSI { 2730}
   (( segid "    " and resid 72   and name HG11))
   (( segid "    " and resid 72   and name HB  ))
      2.300     0.700     0.700 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.754 ppm2      1.301 CV     1
 OR { 2730}
   (( segid "    " and resid 72   and name HG11))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 2793}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HD1 ))
      2.700     0.900     0.900 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.865 ppm2      3.539 CV     1
 OR { 2793}
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HD1 ))
 ASSI { 2913}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 35   and name HE1 ))
      2.600     0.800     0.800 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.658 ppm2      3.070 CV     1
 OR { 2913}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2920}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 27   and name HG2 ))
      3.200     3.200     2.800 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.449 ppm2      2.248 CV     1
 OR { 2920}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 2920}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 2927}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.284 ppm2      8.162 CV     1
 OR { 2927}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2937}
   (  segid "    " and resid 93   and name HD1%)
   (( segid "    " and resid 94   and name HG11))
      3.500     1.500     1.500 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.289 ppm2      1.897 CV     1
 OR { 2937}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 6    and name HG1 ))
 ASSI { 2940}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 39   and name HD2%)
      2.700     2.700     3.300 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.290 ppm2      0.676 CV     1
 OR { 2940}
   (  segid "    " and resid 93   and name HD1%)
   (  segid "    " and resid 73   and name HD1%)
 ASSI { 2958}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 20   and name HG1 ))
      2.500     2.500     3.500 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      0.927 ppm2      2.246 CV     1
 OR { 2958}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 79   and name HB  ))
 ASSI { 2975}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 59   and name HB  ))
      3.300     1.300     1.300 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      2.311 ppm2      2.062 CV     1
 OR { 2975}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 2997}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 36   and name HB  ))
      3.600     3.600     2.400 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.657 ppm2      1.388 CV     1
 OR { 2997}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 3019}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 91   and name HA  ))
      2.200     2.200     3.800 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.170 ppm2      4.102 CV     1
 OR { 3019}
   (  segid "    " and resid 93   and name HD2%)
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 3079}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 58   and name HB1 ))
      2.900     1.000     1.000 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.315 ppm2      2.293 CV     1
 OR { 3079}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 79   and name HB  ))
 ASSI { 3082}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.311 ppm2      0.703 CV     1
 OR { 3082}
   (  segid "    " and resid 59   and name HG2%)
   (  segid "    " and resid 39   and name HD2%)
 ASSI { 3110}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HB  ))
      2.400     0.700     0.700 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.374 ppm2      2.295 CV     1
 OR { 3110}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 58   and name HB1 ))
 ASSI { 3120}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 58   and name HB1 ))
      2.400     0.700     0.700 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.181 ppm2      2.282 CV     1
 OR { 3120}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 79   and name HB  ))
 ASSI { 3155}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 48   and name HB1 ))
      3.800     1.800     1.800 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.371 ppm2      1.988 CV     1
 OR { 3155}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 57   and name HB1 ))
 ASSI { 3158}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 57   and name HD1%)
      2.500     0.800     0.800 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      1.368 ppm2      0.832 CV     1
 OR { 3158}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 53   and name HD2%)
 ASSI { 3193}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 86   and name HB1 ))
      3.500     1.500     1.500 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.958 ppm2      1.576 CV     1
 OR { 3193}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 3195}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.893 ppm2      9.243 CV     1
 OR { 3195}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 3217}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
      3.600     1.700     1.700 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.932 ppm2      2.958 CV     1
 OR { 3217}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 3260}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.400     1.400 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.439 ppm2      1.923 CV     1
 OR { 3260}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 3324}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.898 ppm2      9.596 CV     1
 OR { 3324}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 3326}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.300     1.300 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.900 ppm2      5.281 CV     1
 OR { 3326}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 3327}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.897 ppm2      4.637 CV     1
 OR { 3327}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 3335}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.867 ppm2      8.406 CV     1
 OR { 3335}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 3339}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HB  ))
      2.700     0.900     0.900 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.873 ppm2      2.173 CV     1
 OR { 3339}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HB  ))
 ASSI { 3367}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 64   and name HB1 ))
      2.700     2.700     3.300 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.310 ppm2      2.988 CV     1
 OR { 3367}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 3372}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 39   and name HG  ))
      3.500     3.500     2.500 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.32300E-02 ppm1      1.277 ppm2      1.683 CV     1
 OR { 3372}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 3413}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 93   and name HB1 ))
      3.300     1.400     1.400 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.344 ppm2      2.307 CV     1
 OR { 3413}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 3421}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
      2.600     0.900     0.900 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      1.082 ppm2      7.902 CV     1
 OR { 3421}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 3442}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.100     1.100 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      2.286 CV     1
 OR { 3442}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 94   and name HB  ))
 ASSI { 3443}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      3.700     1.700     1.700 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.440 ppm2      2.097 CV     1
 OR { 3443}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
 ASSI { 3447}
   (  segid "    " and resid 72   and name HG2%)
   (  segid "    " and resid 39   and name HD2%)
      2.700     0.900     0.900 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.440 ppm2      0.707 CV     1
 OR { 3447}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HG11))
 ASSI { 3467}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
      3.000     1.100     1.100 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.875 ppm2      2.054 CV     1
 OR { 3467}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 3471}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 36   and name HG1%)
      3.600     1.600     1.600 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.870 ppm2      0.441 CV     1
 OR { 3471}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 72   and name HG2%)
 ASSI { 3473}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
      2.700     0.900     0.900 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.789 ppm2      1.623 CV     1
 OR { 3473}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 39   and name HG  ))
 ASSI { 3477}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 94   and name HA  ))
      3.600     1.600     1.600 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.441 ppm2      4.639 CV     1
 OR { 3477}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 3514}
   (  segid "    " and resid 54   and name HB% )
   (  segid "    " and resid 53   and name HD2%)
      3.500     1.600     1.600 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.558 ppm2      0.806 CV     1
 OR { 3514}
   (  segid "    " and resid 54   and name HB% )
   (  segid "    " and resid 26   and name HD1%)
 ASSI { 3578}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.600     1.600 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.711 ppm2      5.209 CV     1
 OR { 3578}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 3582}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 31   and name HD1 ))
      2.100     2.100     3.900 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.710 ppm2      3.114 CV     1
 OR { 3582}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 35   and name HE1 ))
 ASSI { 3585}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB  ))
      2.800     1.000     1.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      0.716 ppm2      1.636 CV     1
 OR { 3585}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 3601}
   (  segid "    " and resid 72   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
      2.400     0.700     0.700 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1     -0.153 ppm2      1.328 CV     1
 OR { 3601}
   (  segid "    " and resid 72   and name HD1%)
   (( segid "    " and resid 72   and name HB  ))
 ASSI { 3625}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 20   and name HB1 ))
      3.100     3.100     2.900 peak  3625 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.576 ppm2      2.079 CV     1
 OR { 3625}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 3629}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
      3.800     3.800     2.200 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      0.577 ppm2      1.586 CV     1
 OR { 3629}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
 ASSI { 3650}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 93   and name HD1%)
      3.100     3.100     2.900 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      4.002 ppm2      1.292 CV     1
 OR { 3650}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 93   and name HD1%)
 OR { 3650}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 72   and name HB  ))
 ASSI {   41}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.325 ppm2      8.377 CV     1
 OR {   41}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {   48}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      4.100     2.100     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.326 ppm2      3.013 CV     1
 OR {   48}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 29   and name HE1 ))
 ASSI {   55}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 72   and name HG12))
      4.000     2.000     2.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.326 ppm2      0.846 CV     1
 OR {   55}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
 ASSI {   56}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     1.200     1.200 peak    56 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.328 ppm2      0.718 CV     1
 OR {   56}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 72   and name HG11))
 ASSI {   99}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.155 ppm2      3.476 CV     1
 OR {   99}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HD1 ))
 ASSI {  142}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.500     1.600     1.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.640 ppm2      2.069 CV     1
 OR {  142}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI {  151}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.400     1.500     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.637 ppm2      0.734 CV     1
 OR {  151}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG11))
 ASSI {  158}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.900     1.900     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.374 ppm2      2.241 CV     1
 OR {  158}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  196}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.374 ppm2      0.880 CV     1
 OR {  196}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 53   and name HD1%)
 ASSI {  242}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG11))
      4.000     2.000     2.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.602 ppm2      1.283 CV     1
 OR {  242}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  282}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.357 ppm2      8.105 CV     1
 OR {  282}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  350}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      9.221 CV     1
 OR {  350}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  356}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   356 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      9.467 ppm2      4.775 CV     1
 OR {  356}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  358}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HA1 ))
      4.100     2.100     1.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      9.466 ppm2      4.256 CV     1
 OR {  358}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  393}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak   393 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.756 ppm2      4.097 CV     1
 OR {  393}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  413}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HB  ))
      3.700     1.700     1.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.206 ppm2      2.280 CV     1
 OR {  413}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI {  474}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.542 ppm2      3.933 CV     1
 OR {  474}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HA1 ))
 ASSI {  531}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.400     1.400     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.729 ppm2      2.938 CV     1
 OR {  531}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  537}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.700     0.900     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.726 ppm2      1.266 CV     1
 OR {  537}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  553}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.200     1.200 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.618 ppm2      7.868 CV     1
 OR {  553}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  576}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.500     1.500     1.500 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.886 ppm2      2.985 CV     1
 OR {  576}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  577}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 60   and name HB% )
      3.100     3.100     2.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.886 ppm2      1.297 CV     1
 OR {  577}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI {  597}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.312 ppm2      7.312 CV     1
 OR {  597}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  647}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 84   and name HD2%)
      3.200     1.200     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.350 ppm2      0.856 CV     1
 OR {  647}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
 ASSI {  685}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.500     1.600     1.600 peak   685 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.569 ppm2      2.308 CV     1
 OR {  685}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 79   and name HB  ))
 ASSI {  689}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      3.500     1.500     1.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.572 ppm2      1.294 CV     1
 OR {  689}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 60   and name HB% )
 ASSI {  718}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.500     3.500     2.500 peak   718 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.344 ppm2      1.698 CV     1
 OR {  718}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 94   and name HG2%)
 ASSI {  720}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      3.200     1.300     1.300 peak   720 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.381 ppm2      3.879 CV     1
 OR {  720}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
 ASSI {  767}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.757 ppm2      4.749 CV     1
 OR {  767}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  768}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.759 ppm2      4.493 CV     1
 OR {  768}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  799}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   799 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.513 ppm2      4.164 CV     1
 OR {  799}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  817}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.700     1.700     1.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.148 ppm2      1.356 CV     1
 OR {  817}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI {  822}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak   822 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.123 ppm2      7.123 CV     1
 OR {  822}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
 ASSI {  858}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 62   and name HE% )
      3.400     3.400     2.600 peak   858 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.355 ppm2      6.871 CV     1
 OR {  858}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 62   and name HE% )
 ASSI {  863}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      3.800     1.800     1.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.357 ppm2      3.212 CV     1
 OR {  863}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
 OR {  863}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  879}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HG11))
      3.600     1.600     1.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.695 ppm2      1.363 CV     1
 OR {  879}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
 ASSI {  893}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak   893 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.452 ppm2      4.760 CV     1
 OR {  893}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  912}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.000     2.000     2.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      6.851 ppm2      1.778 CV     1
 OR {  912}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  932}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      4.000     2.000     2.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.278 ppm2      6.848 CV     1
 OR {  932}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 78   and name HD% )
 ASSI {  978}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.800     3.800     2.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.411 ppm2      1.606 CV     1
 OR {  978}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
 ASSI {  983}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 84   and name HG  ))
      3.700     3.700     2.300 peak   983 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.399 ppm2      1.798 CV     1
 OR {  983}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 1088}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.190 ppm2      2.350 CV     1
 OR { 1088}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 1147}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      8.537 ppm2      7.552 CV     1
 OR { 1147}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1153}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.539 ppm2      3.754 CV     1
 OR { 1153}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1187}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      7.831 ppm2      1.893 CV     1
 OR { 1187}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1192}
   (( segid "    " and resid 32   and name HD21))
   (( segid "    " and resid 36   and name HB  ))
      3.300     1.300     1.300 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      7.131 ppm2      1.355 CV     1
 OR { 1192}
   (( segid "    " and resid 32   and name HD21))
   (( segid "    " and resid 31   and name HB2 ))
! helix 1
assign ( resid 53  and name O ) ( resid 57  and name HN ) 1.9 0.4 0.6
assign ( resid 53  and name O ) ( resid 57  and name N  ) 2.9 0.5 0.7

assign ( resid 54  and name O ) ( resid 58  and name HN ) 1.9 0.4 0.6
assign ( resid 54  and name O ) ( resid 58  and name N  ) 2.9 0.5 0.7

assign ( resid 55  and name O ) ( resid 59  and name HN ) 1.9 0.4 0.6
assign ( resid 55  and name O ) ( resid 59  and name N  ) 2.9 0.5 0.7

assign ( resid 56  and name O ) ( resid 60  and name HN ) 1.9 0.4 0.6
assign ( resid 56  and name O ) ( resid 60  and name N  ) 2.9 0.5 0.7

assign ( resid 57  and name O ) ( resid 61  and name HN ) 1.9 0.4 0.6
assign ( resid 57  and name O ) ( resid 61  and name N  ) 2.9 0.5 0.7

assign ( resid 58  and name O ) ( resid 62  and name HN ) 1.9 0.4 0.6
assign ( resid 58  and name O ) ( resid 62  and name N  ) 2.9 0.5 0.7

assign ( resid 59  and name O ) ( resid 63  and name HN ) 1.9 0.4 0.6
assign ( resid 59  and name O ) ( resid 63  and name N  ) 2.9 0.5 0.7

assign ( resid 60  and name O ) ( resid 64  and name HN ) 1.9 0.4 0.6
assign ( resid 60  and name O ) ( resid 64  and name N  ) 2.9 0.5 0.7

assign ( resid 61  and name O ) ( resid 65  and name HN ) 1.9 0.4 0.6
assign ( resid 61  and name O ) ( resid 65  and name N  ) 2.9 0.5 0.7

assign ( resid 62  and name O ) ( resid 66  and name HN ) 1.9 0.4 0.6
assign ( resid 62  and name O ) ( resid 66  and name N  ) 2.9 0.5 0.7

assign ( resid 63  and name O ) ( resid 67  and name HN ) 1.9 0.4 0.6
assign ( resid 63  and name O ) ( resid 67  and name N  ) 2.9 0.5 0.7

assign ( resid 64  and name O ) ( resid 68  and name HN ) 1.9 0.4 0.6
assign ( resid 64  and name O ) ( resid 68  and name N  ) 2.9 0.5 0.7

assign ( resid 65  and name O ) ( resid 69  and name HN ) 1.9 0.4 0.6
assign ( resid 65  and name O ) ( resid 69  and name N  ) 2.9 0.5 0.7

! helix 2
assign ( resid 76  and name O ) ( resid 80  and name HN ) 1.9 0.4 0.6
assign ( resid 76  and name O ) ( resid 80  and name N  ) 2.9 0.5 0.7

assign ( resid 77  and name O ) ( resid 81  and name HN ) 1.9 0.4 0.6
assign ( resid 77  and name O ) ( resid 81  and name N  ) 2.9 0.5 0.7

assign ( resid 78  and name O ) ( resid 82  and name HN ) 1.9 0.4 0.6
assign ( resid 78  and name O ) ( resid 82  and name N  ) 2.9 0.5 0.7

assign ( resid 79  and name O ) ( resid 83  and name HN ) 1.9 0.4 0.6
assign ( resid 79  and name O ) ( resid 83  and name N  ) 2.9 0.5 0.7

assign ( resid 80  and name O ) ( resid 84  and name HN ) 1.9 0.4 0.6
assign ( resid 80  and name O ) ( resid 84  and name N  ) 2.9 0.5 0.7

assign ( resid 82  and name O ) ( resid 86  and name HN ) 1.9 0.4 0.6
assign ( resid 82  and name O ) ( resid 86  and name N  ) 2.9 0.5 0.7

assign ( resid 83  and name O ) ( resid 87  and name HN ) 1.9 0.4 0.6
assign ( resid 83  and name O ) ( resid 87  and name N  ) 2.9 0.5 0.7

!assign ( resid 84  and name O ) ( resid 88  and name HN ) 1.9 0.4 0.6
!assign ( resid 84  and name O ) ( resid 88  and name N  ) 2.9 0.5 0.7

! antiparallel beta b1-b2 sheet:
assign ( resid 18   and name O ) ( resid 9  and name HN ) 1.9 0.4 0.6
assign ( resid 18   and name O ) ( resid 9  and name N  ) 2.9 0.5 0.7
assign ( resid  9   and name O ) ( resid 18 and name HN ) 1.9 0.4 0.6
assign ( resid  9   and name O ) ( resid 18 and name N  ) 2.9 0.5 0.7

assign ( resid 11   and name O ) ( resid 16  and name HN ) 1.9 0.4 0.6                       
assign ( resid 11   and name O ) ( resid 16  and name N  ) 2.9 0.5 0.7
assign ( resid 16   and name O ) ( resid 11  and name HN ) 1.9 0.4 0.6                       
assign ( resid 16   and name O ) ( resid 11  and name N  ) 2.9 0.5 0.7


! antiparallel beta b3-b4 sheet:
assign ( resid 31  and name O ) ( resid 36 and name HN ) 1.9 0.4 0.6
assign ( resid 31  and name O ) ( resid 36 and name N  ) 2.9 0.5 0.7
assign ( resid 36  and name O ) ( resid 31 and name HN ) 1.9 0.4 0.6
assign ( resid 36  and name O ) ( resid 31 and name N  ) 2.9 0.5 0.7

assign ( resid 29  and name O ) ( resid 38 and name HN ) 1.9 0.4 0.6
assign ( resid 29  and name O ) ( resid 38 and name N  ) 2.9 0.5 0.7
assign ( resid 38  and name O ) ( resid 29 and name HN ) 1.9 0.4 0.6
assign ( resid 38  and name O ) ( resid 29 and name N  ) 2.9 0.5 0.7

assign ( resid 27  and name O ) ( resid 40 and name HN ) 1.9 0.4 0.6
assign ( resid 27  and name O ) ( resid 40 and name N  ) 2.9 0.5 0.7
assign ( resid 40  and name O ) ( resid 27 and name HN ) 1.9 0.4 0.6
assign ( resid 40  and name O ) ( resid 27 and name N  ) 2.9 0.5 0.7

assign ( resid 25  and name O ) ( resid 43 and name HN ) 1.9 0.4 0.6
assign ( resid 25  and name O ) ( resid 43 and name N  ) 2.9 0.5 0.7
assign ( resid 43  and name O ) ( resid 25 and name HN ) 1.9 0.4 0.6
assign ( resid 43  and name O ) ( resid 25 and name N  ) 2.9 0.5 0.7

! parallel beta b4-b5 sheet:
assign ( resid 35  and name O ) ( resid 71 and name HN ) 1.9 0.4 0.6
assign ( resid 35  and name O ) ( resid 71 and name N  ) 2.9 0.5 0.7

assign ( resid 71  and name O ) ( resid 37 and name HN ) 1.9 0.4 0.6
assign ( resid 71  and name O ) ( resid 37 and name N  ) 2.9 0.5 0.7

assign ( resid 37  and name O ) ( resid 73 and name HN ) 1.9 0.4 0.6
assign ( resid 37  and name O ) ( resid 73 and name N  ) 2.9 0.5 0.7

assign ( resid 73  and name O ) ( resid 39 and name HN ) 1.9 0.4 0.6
assign ( resid 73  and name O ) ( resid 39 and name N  ) 2.9 0.5 0.7

assign ( resid 39  and name O ) ( resid 75 and name HN ) 1.9 0.4 0.6
assign ( resid 39  and name O ) ( resid 75 and name N  ) 2.9 0.5 0.7
! phi residue      2
assign (resid    1 and name C)  (resid    2 and name N)
       (resid    2 and name CA) (resid    2 and name C) 1.0  -81.0   36.0 2
! psi residue      2
assign (resid    2 and name N)  (resid    2 and name CA)
       (resid    2 and name C)  (resid    3 and name N) 1.0  -15.0   42.0 2
! phi residue      4
assign (resid    3 and name C)  (resid    4 and name N)
       (resid    4 and name CA) (resid    4 and name C) 1.0  -78.2   26.4 2
! psi residue      4
assign (resid    4 and name N)  (resid    4 and name CA)
       (resid    4 and name C)  (resid    5 and name N) 1.0  137.1   35.5 2
! phi residue      7
assign (resid    6 and name C)  (resid    7 and name N)
       (resid    7 and name CA) (resid    7 and name C) 1.0 -103.1   54.8 2
! psi residue      7
assign (resid    7 and name N)  (resid    7 and name CA)
       (resid    7 and name C)  (resid    8 and name N) 1.0  132.4   44.6 2
! phi residue      8
assign (resid    7 and name C)  (resid    8 and name N)
       (resid    8 and name CA) (resid    8 and name C) 1.0 -107.8   27.7 2
! psi residue      8
assign (resid    8 and name N)  (resid    8 and name CA)
       (resid    8 and name C)  (resid    9 and name N) 1.0  131.4   39.0 2
! phi residue      9
assign (resid    8 and name C)  (resid    9 and name N)
       (resid    9 and name CA) (resid    9 and name C) 1.0 -123.5   33.9 2
! psi residue      9
assign (resid    9 and name N)  (resid    9 and name CA)
       (resid    9 and name C)  (resid   10 and name N) 1.0  142.1   44.7 2
! phi residue     10
assign (resid    9 and name C)  (resid   10 and name N)
       (resid   10 and name CA) (resid   10 and name C) 1.0 -103.3   32.8 2
! psi residue     10
assign (resid   10 and name N)  (resid   10 and name CA)
       (resid   10 and name C)  (resid   11 and name N) 1.0  122.1   15.7 2
! phi residue     11
assign (resid   10 and name C)  (resid   11 and name N)
       (resid   11 and name CA) (resid   11 and name C) 1.0  -99.2   41.4 2
! psi residue     11
assign (resid   11 and name N)  (resid   11 and name CA)
       (resid   11 and name C)  (resid   12 and name N) 1.0  117.5   51.3 2
! phi residue     12
assign (resid   11 and name C)  (resid   12 and name N)
       (resid   12 and name CA) (resid   12 and name C) 1.0  -62.2   10.0 2
! psi residue     12
assign (resid   12 and name N)  (resid   12 and name CA)
       (resid   12 and name C)  (resid   13 and name N) 1.0  -29.3   24.3 2
! phi residue     13
assign (resid   12 and name C)  (resid   13 and name N)
       (resid   13 and name CA) (resid   13 and name C) 1.0  -64.1   26.9 2
! psi residue     13
assign (resid   13 and name N)  (resid   13 and name CA)
       (resid   13 and name C)  (resid   14 and name N) 1.0  -27.7   26.0 2
! phi residue     14
assign (resid   13 and name C)  (resid   14 and name N)
       (resid   14 and name CA) (resid   14 and name C) 1.0  -96.2   27.6 2
! psi residue     14
assign (resid   14 and name N)  (resid   14 and name CA)
       (resid   14 and name C)  (resid   15 and name N) 1.0    3.5   19.4 2
! phi residue     18
assign (resid   17 and name C)  (resid   18 and name N)
       (resid   18 and name CA) (resid   18 and name C) 1.0 -134.0   27.0 2
! psi residue     18
assign (resid   18 and name N)  (resid   18 and name CA)
       (resid   18 and name C)  (resid   19 and name N) 1.0  154.3   29.9 2
! phi residue     19
assign (resid   18 and name C)  (resid   19 and name N)
       (resid   19 and name CA) (resid   19 and name C) 1.0  -77.0   14.9 2
! psi residue     19
assign (resid   19 and name N)  (resid   19 and name CA)
       (resid   19 and name C)  (resid   20 and name N) 1.0  163.6   19.1 2
! phi residue     20
assign (resid   19 and name C)  (resid   20 and name N)
       (resid   20 and name CA) (resid   20 and name C) 1.0  -62.6   14.6 2
! psi residue     20
assign (resid   20 and name N)  (resid   20 and name CA)
       (resid   20 and name C)  (resid   21 and name N) 1.0  -22.5   23.3 2
! phi residue     21
assign (resid   20 and name C)  (resid   21 and name N)
       (resid   21 and name CA) (resid   21 and name C) 1.0  -80.0   31.6 2
! psi residue     21
assign (resid   21 and name N)  (resid   21 and name CA)
       (resid   21 and name C)  (resid   22 and name N) 1.0  -16.2   49.7 2
! phi residue     24
assign (resid   23 and name C)  (resid   24 and name N)
       (resid   24 and name CA) (resid   24 and name C) 1.0 -131.7   40.4 2
! psi residue     24
assign (resid   24 and name N)  (resid   24 and name CA)
       (resid   24 and name C)  (resid   25 and name N) 1.0  151.2   22.9 2
! phi residue     25
assign (resid   24 and name C)  (resid   25 and name N)
       (resid   25 and name CA) (resid   25 and name C) 1.0 -130.6   44.2 2
! psi residue     25
assign (resid   25 and name N)  (resid   25 and name CA)
       (resid   25 and name C)  (resid   26 and name N) 1.0  148.6   17.4 2
! phi residue     26
assign (resid   25 and name C)  (resid   26 and name N)
       (resid   26 and name CA) (resid   26 and name C) 1.0 -128.1   23.4 2
! psi residue     26
assign (resid   26 and name N)  (resid   26 and name CA)
       (resid   26 and name C)  (resid   27 and name N) 1.0  133.2   19.6 2
! phi residue     27
assign (resid   26 and name C)  (resid   27 and name N)
       (resid   27 and name CA) (resid   27 and name C) 1.0 -124.1   26.8 2
! psi residue     27
assign (resid   27 and name N)  (resid   27 and name CA)
       (resid   27 and name C)  (resid   28 and name N) 1.0  138.0   35.2 2
! phi residue     28
assign (resid   27 and name C)  (resid   28 and name N)
       (resid   28 and name CA) (resid   28 and name C) 1.0 -135.9   31.5 2
! psi residue     28
assign (resid   28 and name N)  (resid   28 and name CA)
       (resid   28 and name C)  (resid   29 and name N) 1.0  147.7   25.2 2
! phi residue     29
assign (resid   28 and name C)  (resid   29 and name N)
       (resid   29 and name CA) (resid   29 and name C) 1.0 -133.9   34.6 2
! psi residue     29
assign (resid   29 and name N)  (resid   29 and name CA)
       (resid   29 and name C)  (resid   30 and name N) 1.0  144.6   29.8 2
! phi residue     30
assign (resid   29 and name C)  (resid   30 and name N)
       (resid   30 and name CA) (resid   30 and name C) 1.0 -100.1   37.1 2
! psi residue     30
assign (resid   30 and name N)  (resid   30 and name CA)
       (resid   30 and name C)  (resid   31 and name N) 1.0  125.1   24.7 2
! phi residue     36
assign (resid   35 and name C)  (resid   36 and name N)
       (resid   36 and name CA) (resid   36 and name C) 1.0 -136.3   36.5 2
! psi residue     36
assign (resid   36 and name N)  (resid   36 and name CA)
       (resid   36 and name C)  (resid   37 and name N) 1.0  139.2   13.3 2
! phi residue     37
assign (resid   36 and name C)  (resid   37 and name N)
       (resid   37 and name CA) (resid   37 and name C) 1.0 -124.2   52.9 2
! psi residue     37
assign (resid   37 and name N)  (resid   37 and name CA)
       (resid   37 and name C)  (resid   38 and name N) 1.0  133.1   28.2 2
! phi residue     38
assign (resid   37 and name C)  (resid   38 and name N)
       (resid   38 and name CA) (resid   38 and name C) 1.0 -106.2   31.5 2
! psi residue     38
assign (resid   38 and name N)  (resid   38 and name CA)
       (resid   38 and name C)  (resid   39 and name N) 1.0  125.0   15.8 2
! phi residue     39
assign (resid   38 and name C)  (resid   39 and name N)
       (resid   39 and name CA) (resid   39 and name C) 1.0  -88.0   34.0 2
! psi residue     39
assign (resid   39 and name N)  (resid   39 and name CA)
       (resid   39 and name C)  (resid   40 and name N) 1.0  131.0   40.0 2
! phi residue     42
assign (resid   41 and name C)  (resid   42 and name N)
       (resid   42 and name CA) (resid   42 and name C) 1.0  -92.5   39.5 2
! psi residue     42
assign (resid   42 and name N)  (resid   42 and name CA)
       (resid   42 and name C)  (resid   43 and name N) 1.0  123.4   29.2 2
! phi residue     43
assign (resid   42 and name C)  (resid   43 and name N)
       (resid   43 and name CA) (resid   43 and name C) 1.0 -102.3   38.2 2
! psi residue     43
assign (resid   43 and name N)  (resid   43 and name CA)
       (resid   43 and name C)  (resid   44 and name N) 1.0  129.7   20.3 2
! phi residue     44
assign (resid   43 and name C)  (resid   44 and name N)
       (resid   44 and name CA) (resid   44 and name C) 1.0 -108.5   56.4 2
! psi residue     44
assign (resid   44 and name N)  (resid   44 and name CA)
       (resid   44 and name C)  (resid   45 and name N) 1.0  123.3   42.4 2
! phi residue     46
assign (resid   45 and name C)  (resid   46 and name N)
       (resid   46 and name CA) (resid   46 and name C) 1.0  -62.8   18.7 2
! psi residue     46
assign (resid   46 and name N)  (resid   46 and name CA)
       (resid   46 and name C)  (resid   47 and name N) 1.0  -23.7   25.1 2
! phi residue     47
assign (resid   46 and name C)  (resid   47 and name N)
       (resid   47 and name CA) (resid   47 and name C) 1.0  -83.5   32.7 2
! psi residue     47
assign (resid   47 and name N)  (resid   47 and name CA)
       (resid   47 and name C)  (resid   48 and name N) 1.0   -6.5   28.0 2
! phi residue     51
!assign (resid   50 and name C)  (resid   51 and name N)
!       (resid   51 and name CA) (resid   51 and name C) 1.0  -68.0   24.0 2
! psi residue     51
!assign (resid   51 and name N)  (resid   51 and name CA)
!       (resid   51 and name C)  (resid   52 and name N) 1.0  -21.0   50.0 2
! phi residue     52
!assign (resid   51 and name C)  (resid   52 and name N)
!       (resid   52 and name CA) (resid   52 and name C) 1.0  -64.0   26.0 2
! psi residue     52
assign (resid   52 and name N)  (resid   52 and name CA)
       (resid   52 and name C)  (resid   53 and name N) 1.0  -43.0   14.0 2
! phi residue     53
assign (resid   52 and name C)  (resid   53 and name N)
       (resid   53 and name CA) (resid   53 and name C) 1.0  -66.0   12.0 2
! psi residue     53
assign (resid   53 and name N)  (resid   53 and name CA)
       (resid   53 and name C)  (resid   54 and name N) 1.0  -41.0   10.0 2
! phi residue     54
assign (resid   53 and name C)  (resid   54 and name N)
       (resid   54 and name CA) (resid   54 and name C) 1.0  -61.6   10.5 2
! psi residue     54
assign (resid   54 and name N)  (resid   54 and name CA)
       (resid   54 and name C)  (resid   55 and name N) 1.0  -41.8   14.4 2
! phi residue     55
assign (resid   54 and name C)  (resid   55 and name N)
       (resid   55 and name CA) (resid   55 and name C) 1.0  -62.7   10.0 2
! psi residue     55
assign (resid   55 and name N)  (resid   55 and name CA)
       (resid   55 and name C)  (resid   56 and name N) 1.0  -40.9   10.0 2
! phi residue     56
assign (resid   55 and name C)  (resid   56 and name N)
       (resid   56 and name CA) (resid   56 and name C) 1.0  -64.7   11.1 2
! psi residue     56
assign (resid   56 and name N)  (resid   56 and name CA)
       (resid   56 and name C)  (resid   57 and name N) 1.0  -43.2   13.6 2
! phi residue     57
assign (resid   56 and name C)  (resid   57 and name N)
       (resid   57 and name CA) (resid   57 and name C) 1.0  -63.2   10.0 2
! psi residue     57
assign (resid   57 and name N)  (resid   57 and name CA)
       (resid   57 and name C)  (resid   58 and name N) 1.0  -44.6   14.1 2
! phi residue     58
assign (resid   57 and name C)  (resid   58 and name N)
       (resid   58 and name CA) (resid   58 and name C) 1.0  -60.3   10.9 2
! psi residue     58
assign (resid   58 and name N)  (resid   58 and name CA)
       (resid   58 and name C)  (resid   59 and name N) 1.0  -42.6   14.2 2
! phi residue     59
assign (resid   58 and name C)  (resid   59 and name N)
       (resid   59 and name CA) (resid   59 and name C) 1.0  -63.8   10.0 2
! psi residue     59
assign (resid   59 and name N)  (resid   59 and name CA)
       (resid   59 and name C)  (resid   60 and name N) 1.0  -43.7   10.0 2
! phi residue     60
assign (resid   59 and name C)  (resid   60 and name N)
       (resid   60 and name CA) (resid   60 and name C) 1.0  -61.8   11.2 2
! psi residue     60
assign (resid   60 and name N)  (resid   60 and name CA)
       (resid   60 and name C)  (resid   61 and name N) 1.0  -35.0   18.9 2
! phi residue     61
assign (resid   60 and name C)  (resid   61 and name N)
       (resid   61 and name CA) (resid   61 and name C) 1.0  -64.9   10.0 2
! psi residue     61
assign (resid   61 and name N)  (resid   61 and name CA)
       (resid   61 and name C)  (resid   62 and name N) 1.0  -43.4   14.1 2
! phi residue     62
assign (resid   61 and name C)  (resid   62 and name N)
       (resid   62 and name CA) (resid   62 and name C) 1.0  -65.3   10.8 2
! psi residue     62
assign (resid   62 and name N)  (resid   62 and name CA)
       (resid   62 and name C)  (resid   63 and name N) 1.0  -40.0   14.6 2
! phi residue     63
assign (resid   62 and name C)  (resid   63 and name N)
       (resid   63 and name CA) (resid   63 and name C) 1.0  -63.1   10.0 2
! psi residue     63
assign (resid   63 and name N)  (resid   63 and name CA)
       (resid   63 and name C)  (resid   64 and name N) 1.0  -39.2   23.6 2
! phi residue     64
assign (resid   63 and name C)  (resid   64 and name N)
       (resid   64 and name CA) (resid   64 and name C) 1.0  -65.9   12.9 2
! psi residue     64
assign (resid   64 and name N)  (resid   64 and name CA)
       (resid   64 and name C)  (resid   65 and name N) 1.0  -45.2   15.8 2
! phi residue     65
assign (resid   64 and name C)  (resid   65 and name N)
       (resid   65 and name CA) (resid   65 and name C) 1.0  -64.1   15.6 2
! psi residue     65
assign (resid   65 and name N)  (resid   65 and name CA)
       (resid   65 and name C)  (resid   66 and name N) 1.0  -43.5   13.1 2
! phi residue     66
assign (resid   65 and name C)  (resid   66 and name N)
       (resid   66 and name CA) (resid   66 and name C) 1.0  -62.6   10.0 2
! psi residue     66
assign (resid   66 and name N)  (resid   66 and name CA)
       (resid   66 and name C)  (resid   67 and name N) 1.0  -38.8   10.0 2
! phi residue     67
assign (resid   66 and name C)  (resid   67 and name N)
       (resid   67 and name CA) (resid   67 and name C) 1.0  -65.5   20.7 2
! psi residue     67
assign (resid   67 and name N)  (resid   67 and name CA)
       (resid   67 and name C)  (resid   68 and name N) 1.0  -27.6   26.4 2
! phi residue     68
assign (resid   67 and name C)  (resid   68 and name N)
       (resid   68 and name CA) (resid   68 and name C) 1.0  -87.4   33.4 2
! psi residue     68
assign (resid   68 and name N)  (resid   68 and name CA)
       (resid   68 and name C)  (resid   69 and name N) 1.0   -4.0   24.5 2
! phi residue     70
assign (resid   69 and name C)  (resid   70 and name N)
       (resid   70 and name CA) (resid   70 and name C) 1.0 -118.1   52.9 2
! psi residue     70
assign (resid   70 and name N)  (resid   70 and name CA)
       (resid   70 and name C)  (resid   71 and name N) 1.0  154.2   26.0 2
! phi residue     71
assign (resid   70 and name C)  (resid   71 and name N)
       (resid   71 and name CA) (resid   71 and name C) 1.0 -124.6   31.1 2
! psi residue     71
assign (resid   71 and name N)  (resid   71 and name CA)
       (resid   71 and name C)  (resid   72 and name N) 1.0  142.2   23.5 2
! phi residue     72
assign (resid   71 and name C)  (resid   72 and name N)
       (resid   72 and name CA) (resid   72 and name C) 1.0 -124.5   25.7 2
! psi residue     72
assign (resid   72 and name N)  (resid   72 and name CA)
       (resid   72 and name C)  (resid   73 and name N) 1.0  137.0   28.0 2
! phi residue     73
assign (resid   72 and name C)  (resid   73 and name N)
       (resid   73 and name CA) (resid   73 and name C) 1.0 -130.6   44.9 2
! psi residue     73
assign (resid   73 and name N)  (resid   73 and name CA)
       (resid   73 and name C)  (resid   74 and name N) 1.0  144.2   51.7 2
! phi residue     75
assign (resid   74 and name C)  (resid   75 and name N)
       (resid   75 and name CA) (resid   75 and name C) 1.0  -58.8   16.8 2
! psi residue     75
assign (resid   75 and name N)  (resid   75 and name CA)
       (resid   75 and name C)  (resid   76 and name N) 1.0  -35.7   22.5 2
! phi residue     76
assign (resid   75 and name C)  (resid   76 and name N)
       (resid   76 and name CA) (resid   76 and name C) 1.0  -65.0   16.3 2
! psi residue     76
assign (resid   76 and name N)  (resid   76 and name CA)
       (resid   76 and name C)  (resid   77 and name N) 1.0  -31.2   27.5 2
! phi residue     77
assign (resid   76 and name C)  (resid   77 and name N)
       (resid   77 and name CA) (resid   77 and name C) 1.0  -64.1   10.0 2
! psi residue     77
assign (resid   77 and name N)  (resid   77 and name CA)
       (resid   77 and name C)  (resid   78 and name N) 1.0  -30.1   23.7 2
! phi residue     78
assign (resid   77 and name C)  (resid   78 and name N)
       (resid   78 and name CA) (resid   78 and name C) 1.0  -68.5   10.0 2
! psi residue     78
assign (resid   78 and name N)  (resid   78 and name CA)
       (resid   78 and name C)  (resid   79 and name N) 1.0  -39.1   11.5 2
! phi residue     79
assign (resid   78 and name C)  (resid   79 and name N)
       (resid   79 and name CA) (resid   79 and name C) 1.0  -63.6   12.0 2
! psi residue     79
assign (resid   79 and name N)  (resid   79 and name CA)
       (resid   79 and name C)  (resid   80 and name N) 1.0  -47.4   12.1 2
! phi residue     80
assign (resid   79 and name C)  (resid   80 and name N)
       (resid   80 and name CA) (resid   80 and name C) 1.0  -60.8   10.0 2
! psi residue     80
assign (resid   80 and name N)  (resid   80 and name CA)
       (resid   80 and name C)  (resid   81 and name N) 1.0  -40.6   10.0 2
! phi residue     81
assign (resid   80 and name C)  (resid   81 and name N)
       (resid   81 and name CA) (resid   81 and name C) 1.0  -80.3   37.5 2
! psi residue     81
assign (resid   81 and name N)  (resid   81 and name CA)
       (resid   81 and name C)  (resid   82 and name N) 1.0  -30.1   44.0 2
! phi residue     82
assign (resid   81 and name C)  (resid   82 and name N)
       (resid   82 and name CA) (resid   82 and name C) 1.0  -65.2   18.2 2
! psi residue     82
assign (resid   82 and name N)  (resid   82 and name CA)
       (resid   82 and name C)  (resid   83 and name N) 1.0  -43.8   10.0 2
! phi residue     83
assign (resid   82 and name C)  (resid   83 and name N)
       (resid   83 and name CA) (resid   83 and name C) 1.0  -62.3   10.0 2
! psi residue     83
assign (resid   83 and name N)  (resid   83 and name CA)
       (resid   83 and name C)  (resid   84 and name N) 1.0  -43.7   13.1 2
! phi residue     84
assign (resid   83 and name C)  (resid   84 and name N)
       (resid   84 and name CA) (resid   84 and name C) 1.0  -64.2   13.2 2
! psi residue     84
assign (resid   84 and name N)  (resid   84 and name CA)
       (resid   84 and name C)  (resid   85 and name N) 1.0  -40.5   20.2 2
! phi residue     85
assign (resid   84 and name C)  (resid   85 and name N)
       (resid   85 and name CA) (resid   85 and name C) 1.0  -60.0   10.0 2
! psi residue     85
assign (resid   85 and name N)  (resid   85 and name CA)
       (resid   85 and name C)  (resid   86 and name N) 1.0  -34.6   28.4 2
! phi residue     86
assign (resid   85 and name C)  (resid   86 and name N)
       (resid   86 and name CA) (resid   86 and name C) 1.0  -79.7   28.7 2
! psi residue     86
assign (resid   86 and name N)  (resid   86 and name CA)
       (resid   86 and name C)  (resid   87 and name N) 1.0  -15.7   42.6 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1   6.593  -0.507 -19.123
    2   2H    MET   1           HT2      MET   1   5.894  -1.183 -20.511
    3   3H    MET   1           HT3      MET   1   5.966  -2.084 -19.079
    4    HA   MET   1           HA       MET   1   4.381   0.370 -19.549
    5   1HB   MET   1          HB2       MET   1   3.417  -1.609 -20.595
    6   2HB   MET   1          HB1       MET   1   3.566  -2.506 -19.090
    7   1HG   MET   1          HG2       MET   1   1.960  -1.023 -18.030
    8   2HG   MET   1          HG1       MET   1   1.832  -0.081 -19.514
    9   1HE   MET   1          HE1       MET   1   0.445  -4.474 -19.140
   10   2HE   MET   1          HE2       MET   1   1.193  -3.568 -17.826
   11   3HE   MET   1          HE3       MET   1   2.144  -4.012 -19.244
   12    H    ALA   2           HN       ALA   2   4.979  -2.297 -17.250
   13    HA   ALA   2           HA       ALA   2   4.243  -0.443 -15.073
   14   1HB   ALA   2          HB1       ALA   2   3.595  -2.409 -13.780
   15   2HB   ALA   2          HB2       ALA   2   4.066  -3.455 -15.119
   16   3HB   ALA   2          HB3       ALA   2   2.712  -2.339 -15.304
   17    H    THR   3           HN       THR   3   6.892  -0.886 -16.390
   18    HA   THR   3           HA       THR   3   8.519  -2.269 -14.468
   19    HB   THR   3           HB       THR   3   9.378  -0.356 -16.652
   20    HG1  THR   3           HG1      THR   3   9.187  -3.212 -16.681
   21   1HG2  THR   3          HG21      THR   3  11.539  -1.509 -16.490
   22   2HG2  THR   3          HG22      THR   3  10.922  -2.474 -15.148
   23   3HG2  THR   3          HG23      THR   3  11.108  -0.730 -14.968
   24    H    GLU   4           HN       GLU   4   8.196  -1.426 -12.541
   25    HA   GLU   4           HA       GLU   4   8.587   1.351 -11.972
   26   1HB   GLU   4          HB2       GLU   4   8.238  -1.137 -10.318
   27   2HB   GLU   4          HB1       GLU   4   8.700   0.383  -9.566
   28   1HG   GLU   4          HG2       GLU   4   6.257   0.100 -11.287
   29   2HG   GLU   4          HG1       GLU   4   6.245  -0.194  -9.548
   30    HA   PRO   5           HA       PRO   5  13.099   1.371 -11.698
   31   1HB   PRO   5          HB2       PRO   5  12.288   3.425  -9.681
   32   2HB   PRO   5          HB1       PRO   5  13.554   3.497 -10.913
   33   1HG   PRO   5          HG2       PRO   5  11.240   4.754 -11.285
   34   2HG   PRO   5          HG1       PRO   5  12.047   3.921 -12.626
   35   1HD   PRO   5          HD2       PRO   5   9.639   3.115 -11.071
   36   2HD   PRO   5          HD1       PRO   5  10.043   2.811 -12.773
   37    HA   PRO   6           HA       PRO   6  12.926   0.033  -7.105
   38   1HB   PRO   6          HB2       PRO   6  10.593  -0.106  -5.793
   39   2HB   PRO   6          HB1       PRO   6  11.499   1.406  -5.892
   40   1HG   PRO   6          HG2       PRO   6   9.084   0.539  -7.404
   41   2HG   PRO   6          HG1       PRO   6   9.507   2.145  -6.788
   42   1HD   PRO   6          HD2       PRO   6   9.825   1.279  -9.423
   43   2HD   PRO   6          HD1       PRO   6  10.657   2.671  -8.677
   44    H    LYS   7           HN       LYS   7  12.659  -2.100  -6.317
   45    HA   LYS   7           HA       LYS   7  11.058  -3.831  -8.063
   46   1HB   LYS   7          HB2       LYS   7  13.832  -3.989  -7.289
   47   2HB   LYS   7          HB1       LYS   7  12.971  -5.398  -6.690
   48   1HG   LYS   7          HG2       LYS   7  13.493  -6.222  -8.714
   49   2HG   LYS   7          HG1       LYS   7  12.038  -5.355  -9.202
   50   1HD   LYS   7          HD2       LYS   7  14.842  -4.245  -9.363
   51   2HD   LYS   7          HD1       LYS   7  13.972  -4.977 -10.711
   52   1HE   LYS   7          HE2       LYS   7  13.052  -2.556  -9.168
   53   2HE   LYS   7          HE1       LYS   7  13.905  -2.501 -10.710
   54   1HZ   LYS   7          HZ1       LYS   7  12.066  -3.734 -11.711
   55   2HZ   LYS   7          HZ2       LYS   7  11.536  -2.274 -11.030
   56   3HZ   LYS   7          HZ3       LYS   7  11.241  -3.738 -10.229
   57    H    ILE   8           HN       ILE   8   9.227  -3.723  -6.823
   58    HA   ILE   8           HA       ILE   8   9.457  -4.025  -3.968
   59    HB   ILE   8           HB       ILE   8   6.868  -3.889  -5.507
   60   1HG1  ILE   8          HG12      ILE   8   8.345  -1.970  -6.151
   61   2HG1  ILE   8          HG11      ILE   8   6.914  -1.463  -5.262
   62   1HG2  ILE   8          HG21      ILE   8   6.661  -4.543  -3.197
   63   2HG2  ILE   8          HG22      ILE   8   6.089  -2.883  -3.368
   64   3HG2  ILE   8          HG23      ILE   8   7.687  -3.200  -2.686
   65   1HD1  ILE   8          HD11      ILE   8   9.657  -1.801  -4.077
   66   2HD1  ILE   8          HD12      ILE   8   8.224  -1.168  -3.263
   67   3HD1  ILE   8          HD13      ILE   8   8.952  -0.270  -4.596
   68    H    VAL   9           HN       VAL   9   9.620  -5.907  -3.080
   69    HA   VAL   9           HA       VAL   9   8.930  -8.335  -4.536
   70    HB   VAL   9           HB       VAL   9  10.332  -7.983  -1.879
   71   1HG1  VAL   9          HG11      VAL   9   9.397 -10.209  -2.162
   72   2HG1  VAL   9          HG12      VAL   9  11.157 -10.249  -2.240
   73   3HG1  VAL   9          HG13      VAL   9  10.205 -10.365  -3.722
   74   1HG2  VAL   9          HG21      VAL   9  12.396  -8.393  -3.182
   75   2HG2  VAL   9          HG22      VAL   9  11.588  -6.875  -3.571
   76   3HG2  VAL   9          HG23      VAL   9  11.438  -8.256  -4.657
   77    H    TRP  10           HN       TRP  10   7.363  -9.759  -3.910
   78    HA   TRP  10           HA       TRP  10   5.701  -8.941  -1.656
   79   1HB   TRP  10          HB2       TRP  10   4.513  -9.328  -3.738
   80   2HB   TRP  10          HB1       TRP  10   5.177 -10.957  -3.845
   81    HD1  TRP  10           HD1      TRP  10   3.829  -9.624  -0.521
   82    HE1  TRP  10           HE1      TRP  10   1.734 -10.954   0.132
   83    HE3  TRP  10           HE3      TRP  10   3.217 -12.312  -4.825
   84    HZ2  TRP  10           HZ2      TRP  10   0.033 -12.884  -1.033
   85    HZ3  TRP  10           HZ3      TRP  10   1.328 -13.881  -4.975
   86    HH2  TRP  10           HH2      TRP  10  -0.233 -14.161  -3.117
   87    H    ASN  11           HN       ASN  11   5.923  -9.850   0.207
   88    HA   ASN  11           HA       ASN  11   7.082 -12.542   0.434
   89   1HB   ASN  11          HB2       ASN  11   8.020 -10.599   1.793
   90   2HB   ASN  11          HB1       ASN  11   6.494 -10.594   2.666
   91   1HD2  ASN  11          HD21      ASN  11   9.258 -11.188   3.525
   92   2HD2  ASN  11          HD22      ASN  11   9.182 -12.741   4.280
   93    H    GLU  12           HN       GLU  12   5.326 -13.888   0.022
   94    HA   GLU  12           HA       GLU  12   2.693 -13.253   0.880
   95   1HB   GLU  12          HB2       GLU  12   2.083 -15.495   0.137
   96   2HB   GLU  12          HB1       GLU  12   3.088 -14.690  -1.056
   97   1HG   GLU  12          HG2       GLU  12   5.017 -15.975  -0.292
   98   2HG   GLU  12          HG1       GLU  12   4.005 -16.778   0.909
   99    H    GLY  13           HN       GLY  13   5.347 -14.787   2.426
  100   1HA   GLY  13          HA2       GLY  13   3.888 -16.182   4.432
  101   2HA   GLY  13          HA1       GLY  13   5.578 -15.703   4.527
  102    H    LYS  14           HN       LYS  14   5.305 -12.949   4.260
  103    HA   LYS  14           HA       LYS  14   4.193 -12.284   6.881
  104   1HB   LYS  14          HB2       LYS  14   5.845 -10.563   5.023
  105   2HB   LYS  14          HB1       LYS  14   5.460 -10.216   6.702
  106   1HG   LYS  14          HG2       LYS  14   7.190 -12.458   5.689
  107   2HG   LYS  14          HG1       LYS  14   7.738 -10.986   6.490
  108   1HD   LYS  14          HD2       LYS  14   6.542 -11.648   8.520
  109   2HD   LYS  14          HD1       LYS  14   5.989 -13.118   7.715
  110   1HE   LYS  14          HE2       LYS  14   7.877 -13.695   9.064
  111   2HE   LYS  14          HE1       LYS  14   8.375 -13.740   7.371
  112   1HZ   LYS  14          HZ1       LYS  14  10.019 -12.659   8.787
  113   2HZ   LYS  14          HZ2       LYS  14   8.888 -11.479   9.232
  114   3HZ   LYS  14          HZ3       LYS  14   9.409 -11.594   7.621
  115    H    ARG  15           HN       ARG  15   3.143 -12.360   3.786
  116    HA   ARG  15           HA       ARG  15   1.503 -11.369   2.555
  117   1HB   ARG  15          HB2       ARG  15   0.521 -10.123   5.118
  118   2HB   ARG  15          HB1       ARG  15  -0.414 -10.535   3.691
  119   1HG   ARG  15          HG2       ARG  15  -0.273 -12.859   4.172
  120   2HG   ARG  15          HG1       ARG  15   0.911 -12.579   5.455
  121   1HD   ARG  15          HD2       ARG  15  -2.002 -11.807   5.416
  122   2HD   ARG  15          HD1       ARG  15  -1.192 -12.924   6.515
  123    HE   ARG  15           HE       ARG  15  -0.647 -10.021   6.484
  124   1HH1  ARG  15          HH11      ARG  15  -1.224 -13.022   8.196
  125   2HH1  ARG  15          HH12      ARG  15  -1.015 -12.313   9.772
  126   1HH2  ARG  15          HH21      ARG  15  -0.345  -9.078   8.553
  127   2HH2  ARG  15          HH22      ARG  15  -0.503 -10.070   9.973
  128    H    ARG  16           HN       ARG  16   3.923  -9.968   2.590
  129    HA   ARG  16           HA       ARG  16   3.033  -7.169   2.757
  130   1HB   ARG  16          HB2       ARG  16   4.859  -6.497   4.036
  131   2HB   ARG  16          HB1       ARG  16   4.413  -8.039   4.752
  132   1HG   ARG  16          HG2       ARG  16   6.210  -9.153   3.585
  133   2HG   ARG  16          HG1       ARG  16   6.630  -7.653   2.749
  134   1HD   ARG  16          HD2       ARG  16   6.987  -6.636   5.035
  135   2HD   ARG  16          HD1       ARG  16   6.858  -8.269   5.685
  136    HE   ARG  16           HE       ARG  16   8.777  -8.318   3.649
  137   1HH1  ARG  16          HH11      ARG  16   8.314  -6.958   6.845
  138   2HH1  ARG  16          HH12      ARG  16  10.021  -6.858   7.186
  139   1HH2  ARG  16          HH21      ARG  16  11.014  -8.163   4.081
  140   2HH2  ARG  16          HH22      ARG  16  11.560  -7.519   5.601
  141    H    PHE  17           HN       PHE  17   4.409  -5.651   1.628
  142    HA   PHE  17           HA       PHE  17   5.923  -6.845  -0.598
  143   1HB   PHE  17          HB2       PHE  17   4.489  -4.178  -0.554
  144   2HB   PHE  17          HB1       PHE  17   5.438  -4.807  -1.894
  145    HD1  PHE  17           HD1      PHE  17   2.231  -4.325  -0.716
  146    HD2  PHE  17           HD2      PHE  17   4.637  -7.251  -2.653
  147    HE1  PHE  17           HE1      PHE  17   0.207  -5.377  -1.638
  148    HE2  PHE  17           HE2      PHE  17   2.618  -8.303  -3.585
  149    HZ   PHE  17           HZ       PHE  17   0.396  -7.364  -3.079
  150    H    GLU  18           HN       GLU  18   8.017  -6.431  -0.581
  151    HA   GLU  18           HA       GLU  18   9.003  -4.206   1.076
  152   1HB   GLU  18          HB2       GLU  18  11.162  -5.800   0.884
  153   2HB   GLU  18          HB1       GLU  18   9.980  -5.935   2.182
  154   1HG   GLU  18          HG2       GLU  18   8.812  -7.654   0.739
  155   2HG   GLU  18          HG1       GLU  18  10.245  -7.619  -0.289
  156    H    THR  19           HN       THR  19  10.104  -2.658   0.108
  157    HA   THR  19           HA       THR  19  10.321  -2.583  -2.709
  158    HB   THR  19           HB       THR  19  10.055  -0.577  -1.249
  159    HG1  THR  19           HG1      THR  19  12.362   0.136  -2.559
  160   1HG2  THR  19          HG21      THR  19  11.674  -1.200   0.489
  161   2HG2  THR  19          HG22      THR  19  11.991   0.404  -0.170
  162   3HG2  THR  19          HG23      THR  19  12.988  -0.962  -0.661
  163    H    GLU  20           HN       GLU  20  12.575  -1.729  -3.612
  164    HA   GLU  20           HA       GLU  20  14.301  -3.950  -3.742
  165   1HB   GLU  20          HB2       GLU  20  15.840  -2.137  -4.848
  166   2HB   GLU  20          HB1       GLU  20  14.369  -2.671  -5.639
  167   1HG   GLU  20          HG2       GLU  20  14.587  -0.270  -5.798
  168   2HG   GLU  20          HG1       GLU  20  13.192  -0.702  -4.816
  169    H    ASP  21           HN       ASP  21  13.972  -1.728  -1.374
  170    HA   ASP  21           HA       ASP  21  16.775  -1.806  -0.499
  171   1HB   ASP  21          HB2       ASP  21  15.501   0.384  -0.680
  172   2HB   ASP  21          HB1       ASP  21  14.501  -0.185   0.655
  173    H    HIS  22           HN       HIS  22  13.622  -2.971   0.121
  174    HA   HIS  22           HA       HIS  22  12.747  -4.515   1.493
  175   1HB   HIS  22          HB2       HIS  22  15.635  -5.116   2.135
  176   2HB   HIS  22          HB1       HIS  22  14.273  -6.082   2.696
  177    HD1  HIS  22           HD1      HIS  22  13.160  -7.673   1.015
  178    HD2  HIS  22           HD2      HIS  22  16.164  -5.308  -0.650
  179    HE1  HIS  22           HE1      HIS  22  13.597  -8.622  -1.273
  180    HE2  HIS  22           HE2      HIS  22  15.510  -7.270  -2.202
  181    H    GLU  23           HN       GLU  23  14.427  -1.891   2.689
  182    HA   GLU  23           HA       GLU  23  13.741  -2.382   5.469
  183   1HB   GLU  23          HB2       GLU  23  14.817   0.124   4.160
  184   2HB   GLU  23          HB1       GLU  23  14.717  -0.185   5.889
  185   1HG   GLU  23          HG2       GLU  23  16.421  -1.671   3.901
  186   2HG   GLU  23          HG1       GLU  23  16.978  -0.497   5.097
  187    H    ALA  24           HN       ALA  24  12.542  -0.762   2.671
  188    HA   ALA  24           HA       ALA  24  10.282   0.342   4.152
  189   1HB   ALA  24          HB1       ALA  24   9.658   1.409   2.038
  190   2HB   ALA  24          HB2       ALA  24  10.995   0.589   1.230
  191   3HB   ALA  24          HB3       ALA  24  11.324   1.794   2.474
  192    H    PHE  25           HN       PHE  25   8.372  -0.682   4.208
  193    HA   PHE  25           HA       PHE  25   7.684  -2.576   2.151
  194   1HB   PHE  25          HB2       PHE  25   7.281  -4.433   3.743
  195   2HB   PHE  25          HB1       PHE  25   8.984  -4.029   3.560
  196    HD1  PHE  25           HD1      PHE  25   6.106  -4.009   5.811
  197    HD2  PHE  25           HD2      PHE  25  10.234  -3.068   5.389
  198    HE1  PHE  25           HE1      PHE  25   6.306  -3.807   8.257
  199    HE2  PHE  25           HE2      PHE  25  10.442  -2.867   7.830
  200    HZ   PHE  25           HZ       PHE  25   8.476  -3.237   9.266
  201    H    ILE  26           HN       ILE  26   5.569  -3.443   2.374
  202    HA   ILE  26           HA       ILE  26   3.770  -1.867   4.080
  203    HB   ILE  26           HB       ILE  26   3.937  -1.774   1.268
  204   1HG1  ILE  26          HG12      ILE  26   3.142  -0.071   2.946
  205   2HG1  ILE  26          HG11      ILE  26   2.216  -0.156   1.448
  206   1HG2  ILE  26          HG21      ILE  26   2.705  -3.871   1.099
  207   2HG2  ILE  26          HG22      ILE  26   1.742  -2.521   0.501
  208   3HG2  ILE  26          HG23      ILE  26   1.411  -3.201   2.094
  209   1HD1  ILE  26          HD11      ILE  26   0.789   0.086   3.400
  210   2HD1  ILE  26          HD12      ILE  26   1.438  -1.418   4.059
  211   3HD1  ILE  26          HD13      ILE  26   0.499  -1.440   2.566
  212    H    GLU  27           HN       GLU  27   2.390  -3.114   5.277
  213    HA   GLU  27           HA       GLU  27   2.338  -5.992   4.632
  214   1HB   GLU  27          HB2       GLU  27   3.132  -5.294   6.926
  215   2HB   GLU  27          HB1       GLU  27   1.515  -4.669   7.236
  216   1HG   GLU  27          HG2       GLU  27   0.776  -7.088   6.569
  217   2HG   GLU  27          HG1       GLU  27   2.444  -7.493   6.958
  218    H    TYR  28           HN       TYR  28   0.265  -7.111   4.852
  219    HA   TYR  28           HA       TYR  28  -2.081  -5.580   5.404
  220   1HB   TYR  28          HB2       TYR  28  -3.251  -5.961   3.298
  221   2HB   TYR  28          HB1       TYR  28  -1.793  -5.023   3.019
  222    HD1  TYR  28           HD1      TYR  28  -3.405  -8.296   2.529
  223    HD2  TYR  28           HD2      TYR  28  -0.001  -5.894   1.669
  224    HE1  TYR  28           HE1      TYR  28  -2.748  -9.873   0.761
  225    HE2  TYR  28           HE2      TYR  28   0.667  -7.471  -0.095
  226    HH   TYR  28           HH       TYR  28   0.325  -9.736  -0.778
  227    H    LYS  29           HN       LYS  29  -4.018  -6.932   5.481
  228    HA   LYS  29           HA       LYS  29  -3.527  -9.809   5.330
  229   1HB   LYS  29          HB2       LYS  29  -4.777 -10.190   7.442
  230   2HB   LYS  29          HB1       LYS  29  -3.248  -9.362   7.688
  231   1HG   LYS  29          HG2       LYS  29  -5.666  -7.683   7.377
  232   2HG   LYS  29          HG1       LYS  29  -5.499  -8.607   8.870
  233   1HD   LYS  29          HD2       LYS  29  -3.375  -6.774   7.767
  234   2HD   LYS  29          HD1       LYS  29  -4.565  -6.292   8.979
  235   1HE   LYS  29          HE2       LYS  29  -3.738  -8.080  10.463
  236   2HE   LYS  29          HE1       LYS  29  -2.523  -8.496   9.257
  237   1HZ   LYS  29          HZ1       LYS  29  -1.434  -6.450   9.565
  238   2HZ   LYS  29          HZ2       LYS  29  -1.761  -7.029  11.123
  239   3HZ   LYS  29          HZ3       LYS  29  -2.720  -5.798  10.464
  240    H    MET  30           HN       MET  30  -5.338 -11.006   4.737
  241    HA   MET  30           HA       MET  30  -7.381  -9.376   3.456
  242   1HB   MET  30          HB2       MET  30  -6.969 -12.380   3.333
  243   2HB   MET  30          HB1       MET  30  -7.995 -11.412   2.283
  244   1HG   MET  30          HG2       MET  30  -6.060 -10.291   1.369
  245   2HG   MET  30          HG1       MET  30  -5.005 -11.190   2.459
  246   1HE   MET  30          HE1       MET  30  -6.438 -14.091   2.380
  247   2HE   MET  30          HE2       MET  30  -4.694 -13.832   2.354
  248   3HE   MET  30          HE3       MET  30  -5.449 -14.863   1.139
  249    H    ARG  31           HN       ARG  31  -9.027  -8.824   4.647
  250    HA   ARG  31           HA       ARG  31  -9.880 -10.408   6.940
  251   1HB   ARG  31          HB2       ARG  31 -10.506  -7.648   5.916
  252   2HB   ARG  31          HB1       ARG  31 -11.434  -8.376   7.218
  253   1HG   ARG  31          HG2       ARG  31  -9.625  -8.351   8.685
  254   2HG   ARG  31          HG1       ARG  31  -8.452  -8.169   7.379
  255   1HD   ARG  31          HD2       ARG  31  -8.929  -6.112   8.791
  256   2HD   ARG  31          HD1       ARG  31  -9.007  -5.917   7.041
  257    HE   ARG  31           HE       ARG  31 -11.569  -6.537   8.093
  258   1HH1  ARG  31          HH11      ARG  31  -9.249  -3.900   7.854
  259   2HH1  ARG  31          HH12      ARG  31 -10.478  -2.676   7.919
  260   1HH2  ARG  31          HH21      ARG  31 -13.153  -4.916   8.159
  261   2HH2  ARG  31          HH22      ARG  31 -12.682  -3.238   8.087
  262    H    ASN  32           HN       ASN  32 -12.297 -10.512   7.298
  263    HA   ASN  32           HA       ASN  32 -14.313 -11.381   6.707
  264   1HB   ASN  32          HB2       ASN  32 -14.463  -9.119   5.625
  265   2HB   ASN  32          HB1       ASN  32 -13.887  -9.846   4.128
  266   1HD2  ASN  32          HD21      ASN  32 -15.781  -9.217   3.084
  267   2HD2  ASN  32          HD22      ASN  32 -17.277 -10.063   3.315
  268    H    ASN  33           HN       ASN  33 -12.201 -13.057   6.377
  269    HA   ASN  33           HA       ASN  33 -11.758 -15.133   5.578
  270   1HB   ASN  33          HB2       ASN  33 -14.240 -15.357   5.350
  271   2HB   ASN  33          HB1       ASN  33 -14.105 -14.755   3.703
  272   1HD2  ASN  33          HD21      ASN  33 -14.829 -16.554   2.713
  273   2HD2  ASN  33          HD22      ASN  33 -13.958 -18.048   2.676
  274    H    GLY  34           HN       GLY  34 -11.385 -12.346   3.966
  275   1HA   GLY  34          HA2       GLY  34  -9.344 -12.235   2.616
  276   2HA   GLY  34          HA1       GLY  34  -9.897 -13.676   1.788
  277    H    LYS  35           HN       LYS  35 -12.150 -11.167   2.582
  278    HA   LYS  35           HA       LYS  35 -12.499 -10.642  -0.273
  279   1HB   LYS  35          HB2       LYS  35 -14.278 -10.093   2.106
  280   2HB   LYS  35          HB1       LYS  35 -14.668  -9.629   0.453
  281   1HG   LYS  35          HG2       LYS  35 -14.126 -12.445   1.335
  282   2HG   LYS  35          HG1       LYS  35 -15.740 -11.741   1.186
  283   1HD   LYS  35          HD2       LYS  35 -15.472 -11.418  -1.157
  284   2HD   LYS  35          HD1       LYS  35 -13.754 -11.805  -1.073
  285   1HE   LYS  35          HE2       LYS  35 -15.608 -13.886  -0.114
  286   2HE   LYS  35          HE1       LYS  35 -15.641 -13.558  -1.846
  287   1HZ   LYS  35          HZ1       LYS  35 -13.202 -13.879  -1.856
  288   2HZ   LYS  35          HZ2       LYS  35 -14.059 -15.274  -1.410
  289   3HZ   LYS  35          HZ3       LYS  35 -13.275 -14.353  -0.226
  290    H    VAL  36           HN       VAL  36 -11.447  -9.138   2.645
  291    HA   VAL  36           HA       VAL  36 -11.123  -6.606   1.183
  292    HB   VAL  36           HB       VAL  36 -11.993  -6.985   4.048
  293   1HG1  VAL  36          HG11      VAL  36 -10.291  -5.230   3.954
  294   2HG1  VAL  36          HG12      VAL  36 -11.884  -4.547   4.278
  295   3HG1  VAL  36          HG13      VAL  36 -11.184  -4.425   2.664
  296   1HG2  VAL  36          HG21      VAL  36 -13.796  -7.088   2.434
  297   2HG2  VAL  36          HG22      VAL  36 -13.267  -5.570   1.712
  298   3HG2  VAL  36          HG23      VAL  36 -13.899  -5.587   3.358
  299    H    MET  37           HN       MET  37  -9.045  -6.059   1.006
  300    HA   MET  37           HA       MET  37  -7.114  -7.347   2.762
  301   1HB   MET  37          HB2       MET  37  -6.852  -5.760   0.216
  302   2HB   MET  37          HB1       MET  37  -5.451  -6.125   1.222
  303   1HG   MET  37          HG2       MET  37  -6.017  -8.535   1.025
  304   2HG   MET  37          HG1       MET  37  -7.294  -8.095  -0.103
  305   1HE   MET  37          HE1       MET  37  -4.890 -10.169  -0.600
  306   2HE   MET  37          HE2       MET  37  -4.465  -9.792  -2.269
  307   3HE   MET  37          HE3       MET  37  -6.160  -9.876  -1.793
  308    H    ASP  38           HN       ASP  38  -6.616  -6.451   4.561
  309    HA   ASP  38           HA       ASP  38  -6.970  -3.597   4.974
  310   1HB   ASP  38          HB2       ASP  38  -7.696  -5.383   6.623
  311   2HB   ASP  38          HB1       ASP  38  -5.995  -5.714   6.910
  312    H    LEU  39           HN       LEU  39  -5.398  -2.419   4.174
  313    HA   LEU  39           HA       LEU  39  -2.695  -3.401   3.990
  314   1HB   LEU  39          HB2       LEU  39  -4.096  -0.896   3.114
  315   2HB   LEU  39          HB1       LEU  39  -2.343  -0.953   3.141
  316    HG   LEU  39           HG       LEU  39  -2.270  -2.636   1.487
  317   1HD1  LEU  39          HD11      LEU  39  -4.268  -3.655   0.503
  318   2HD1  LEU  39          HD12      LEU  39  -5.257  -2.855   1.726
  319   3HD1  LEU  39          HD13      LEU  39  -4.070  -4.069   2.207
  320   1HD2  LEU  39          HD21      LEU  39  -2.634  -0.375   0.670
  321   2HD2  LEU  39          HD22      LEU  39  -4.379  -0.615   0.754
  322   3HD2  LEU  39          HD23      LEU  39  -3.414  -1.554  -0.384
  323    H    VAL  40           HN       VAL  40  -1.302  -3.256   5.545
  324    HA   VAL  40           HA       VAL  40  -1.864  -1.346   7.713
  325    HB   VAL  40           HB       VAL  40  -0.653  -4.106   8.003
  326   1HG1  VAL  40          HG11      VAL  40  -1.622  -2.127  10.056
  327   2HG1  VAL  40          HG12      VAL  40   0.055  -2.571   9.735
  328   3HG1  VAL  40          HG13      VAL  40  -1.063  -3.764  10.395
  329   1HG2  VAL  40          HG21      VAL  40  -2.770  -4.804   8.950
  330   2HG2  VAL  40          HG22      VAL  40  -2.991  -4.235   7.294
  331   3HG2  VAL  40          HG23      VAL  40  -3.450  -3.205   8.650
  332    H    HIS  41           HN       HIS  41  -0.260   0.107   7.872
  333    HA   HIS  41           HA       HIS  41   1.793   0.891   8.401
  334   1HB   HIS  41          HB2       HIS  41   2.006  -1.355   9.579
  335   2HB   HIS  41          HB1       HIS  41   2.856  -1.921   8.153
  336    HD1  HIS  41           HD1      HIS  41   3.415  -0.414  11.360
  337    HD2  HIS  41           HD2      HIS  41   5.331  -0.300   7.668
  338    HE1  HIS  41           HE1      HIS  41   5.770   0.324  11.841
  339    HE2  HIS  41           HE2      HIS  41   6.970   0.110   9.634
  340    H    THR  42           HN       THR  42   2.164   2.125   6.669
  341    HA   THR  42           HA       THR  42   3.815   0.994   4.527
  342    HB   THR  42           HB       THR  42   2.111   2.449   3.643
  343    HG1  THR  42           HG1      THR  42   3.494   3.441   2.410
  344   1HG2  THR  42          HG21      THR  42   1.854   4.784   4.410
  345   2HG2  THR  42          HG22      THR  42   3.033   4.469   5.687
  346   3HG2  THR  42          HG23      THR  42   1.491   3.611   5.678
  347    H    TYR  43           HN       TYR  43   6.012   1.240   4.672
  348    HA   TYR  43           HA       TYR  43   7.010   3.467   6.275
  349   1HB   TYR  43          HB2       TYR  43   6.870   1.075   7.481
  350   2HB   TYR  43          HB1       TYR  43   8.436   0.905   6.690
  351    HD1  TYR  43           HD1      TYR  43   6.494   2.924   9.078
  352    HD2  TYR  43           HD2      TYR  43  10.351   2.112   7.476
  353    HE1  TYR  43           HE1      TYR  43   7.506   4.258  10.870
  354    HE2  TYR  43           HE2      TYR  43  11.383   3.440   9.269
  355    HH   TYR  43           HH       TYR  43   9.875   4.261  12.050
  356    H    VAL  44           HN       VAL  44   9.114   4.089   5.817
  357    HA   VAL  44           HA       VAL  44  10.613   2.804   3.726
  358    HB   VAL  44           HB       VAL  44   8.924   4.079   2.430
  359   1HG1  VAL  44          HG11      VAL  44   8.495   5.893   3.974
  360   2HG1  VAL  44          HG12      VAL  44   8.989   6.528   2.405
  361   3HG1  VAL  44          HG13      VAL  44  10.134   6.504   3.748
  362   1HG2  VAL  44          HG21      VAL  44  11.723   5.170   2.203
  363   2HG2  VAL  44          HG22      VAL  44  10.485   5.232   0.949
  364   3HG2  VAL  44          HG23      VAL  44  11.126   3.677   1.479
  365    HA   PRO  45           HA       PRO  45  13.775   4.623   6.277
  366   1HB   PRO  45          HB2       PRO  45  15.856   4.459   4.502
  367   2HB   PRO  45          HB1       PRO  45  15.264   3.098   5.462
  368   1HG   PRO  45          HG2       PRO  45  14.650   3.820   2.621
  369   2HG   PRO  45          HG1       PRO  45  15.011   2.230   3.320
  370   1HD   PRO  45          HD2       PRO  45  12.499   2.971   2.769
  371   2HD   PRO  45          HD1       PRO  45  12.880   1.997   4.205
  372    H    SER  46           HN       SER  46  15.640   6.238   5.975
  373    HA   SER  46           HA       SER  46  14.519   8.746   5.479
  374   1HB   SER  46          HB2       SER  46  17.052   9.410   5.584
  375   2HB   SER  46          HB1       SER  46  16.272   8.726   7.013
  376    HG   SER  46           HG       SER  46  18.394   7.798   6.242
  377    H    PHE  47           HN       PHE  47  16.333   6.612   3.415
  378    HA   PHE  47           HA       PHE  47  17.305   8.446   1.538
  379   1HB   PHE  47          HB2       PHE  47  16.524   5.582   0.986
  380   2HB   PHE  47          HB1       PHE  47  17.716   6.547   0.121
  381    HD1  PHE  47           HD1      PHE  47  17.173   4.226   2.743
  382    HD2  PHE  47           HD2      PHE  47  19.747   7.369   1.481
  383    HE1  PHE  47           HE1      PHE  47  18.920   3.402   4.266
  384    HE2  PHE  47           HE2      PHE  47  21.500   6.547   2.999
  385    HZ   PHE  47           HZ       PHE  47  21.088   4.562   4.391
  386    H    LYS  48           HN       LYS  48  14.150   6.939   1.847
  387    HA   LYS  48           HA       LYS  48  13.313   8.334  -0.598
  388   1HB   LYS  48          HB2       LYS  48  12.824   5.431   0.086
  389   2HB   LYS  48          HB1       LYS  48  11.870   6.297  -1.113
  390   1HG   LYS  48          HG2       LYS  48  13.677   6.558  -2.555
  391   2HG   LYS  48          HG1       LYS  48  14.857   6.241  -1.286
  392   1HD   LYS  48          HD2       LYS  48  12.937   4.164  -2.323
  393   2HD   LYS  48          HD1       LYS  48  14.555   4.405  -2.980
  394   1HE   LYS  48          HE2       LYS  48  15.167   4.215  -0.382
  395   2HE   LYS  48          HE1       LYS  48  13.701   3.238  -0.397
  396   1HZ   LYS  48          HZ1       LYS  48  16.086   2.821  -2.122
  397   2HZ   LYS  48          HZ2       LYS  48  14.675   1.875  -2.159
  398   3HZ   LYS  48          HZ3       LYS  48  15.659   1.885  -0.781
  399    H    ARG  49           HN       ARG  49  12.975   9.168   2.075
  400    HA   ARG  49           HA       ARG  49  10.611   8.538   3.352
  401   1HB   ARG  49          HB2       ARG  49  12.027  11.196   3.128
  402   2HB   ARG  49          HB1       ARG  49  10.685  10.902   4.225
  403   1HG   ARG  49          HG2       ARG  49  12.995   9.055   4.367
  404   2HG   ARG  49          HG1       ARG  49  13.215  10.697   4.973
  405   1HD   ARG  49          HD2       ARG  49  12.533   9.240   6.776
  406   2HD   ARG  49          HD1       ARG  49  11.257  10.404   6.428
  407    HE   ARG  49           HE       ARG  49  10.943   7.866   5.091
  408   1HH1  ARG  49          HH11      ARG  49  10.326   9.679   8.021
  409   2HH1  ARG  49          HH12      ARG  49   8.944   8.725   8.477
  410   1HH2  ARG  49          HH21      ARG  49   9.116   6.603   5.708
  411   2HH2  ARG  49          HH22      ARG  49   8.262   6.993   7.165
  412    H    GLY  50           HN       GLY  50  10.975  11.460   1.327
  413   1HA   GLY  50          HA2       GLY  50   8.066  11.357   0.873
  414   2HA   GLY  50          HA1       GLY  50   9.061  12.804   0.787
  415    H    LEU  51           HN       LEU  51   9.802   9.682  -0.651
  416    HA   LEU  51           HA       LEU  51   9.942  11.015  -3.248
  417   1HB   LEU  51          HB2       LEU  51  11.128   8.497  -2.150
  418   2HB   LEU  51          HB1       LEU  51  10.998   8.730  -3.883
  419    HG   LEU  51           HG       LEU  51  12.543  10.456  -1.937
  420   1HD1  LEU  51          HD11      LEU  51  14.487   9.697  -3.210
  421   2HD1  LEU  51          HD12      LEU  51  13.440   8.669  -4.191
  422   3HD1  LEU  51          HD13      LEU  51  13.629   8.347  -2.468
  423   1HD2  LEU  51          HD21      LEU  51  11.509  11.820  -3.694
  424   2HD2  LEU  51          HD22      LEU  51  12.225  10.774  -4.921
  425   3HD2  LEU  51          HD23      LEU  51  13.262  11.742  -3.872
  426    H    GLY  52           HN       GLY  52   7.589   9.471  -1.633
  427   1HA   GLY  52          HA2       GLY  52   5.532   8.914  -2.665
  428   2HA   GLY  52          HA1       GLY  52   6.408   8.653  -4.167
  429    H    LEU  53           HN       LEU  53   8.409   7.031  -2.621
  430    HA   LEU  53           HA       LEU  53   7.570   4.572  -3.534
  431   1HB   LEU  53          HB2       LEU  53   9.896   5.265  -3.024
  432   2HB   LEU  53          HB1       LEU  53   9.544   5.125  -1.317
  433    HG   LEU  53           HG       LEU  53  10.837   3.219  -2.442
  434   1HD1  LEU  53          HD11      LEU  53   8.343   2.586  -0.876
  435   2HD1  LEU  53          HD12      LEU  53   9.914   3.028  -0.204
  436   3HD1  LEU  53          HD13      LEU  53   9.726   1.512  -1.086
  437   1HD2  LEU  53          HD21      LEU  53   8.063   2.559  -3.415
  438   2HD2  LEU  53          HD22      LEU  53   9.474   1.504  -3.518
  439   3HD2  LEU  53          HD23      LEU  53   9.436   3.018  -4.423
  440    H    ALA  54           HN       ALA  54   7.372   5.826  -0.206
  441    HA   ALA  54           HA       ALA  54   6.361   3.596   1.077
  442   1HB   ALA  54          HB1       ALA  54   5.601   6.471   1.575
  443   2HB   ALA  54          HB2       ALA  54   7.030   5.660   2.216
  444   3HB   ALA  54          HB3       ALA  54   5.421   5.135   2.712
  445    H    SER  55           HN       SER  55   4.568   6.138  -0.620
  446    HA   SER  55           HA       SER  55   2.010   5.002  -0.283
  447   1HB   SER  55          HB2       SER  55   2.908   6.830  -2.517
  448   2HB   SER  55          HB1       SER  55   1.281   6.660  -1.855
  449    HG   SER  55           HG       SER  55   2.618   7.288   0.210
  450    H    HIS  56           HN       HIS  56   4.547   4.564  -2.700
  451    HA   HIS  56           HA       HIS  56   2.973   3.179  -4.606
  452   1HB   HIS  56          HB2       HIS  56   5.941   3.264  -4.111
  453   2HB   HIS  56          HB1       HIS  56   5.254   2.156  -5.291
  454    HD1  HIS  56           HD1      HIS  56   5.560   3.097  -7.567
  455    HD2  HIS  56           HD2      HIS  56   4.623   6.043  -4.772
  456    HE1  HIS  56           HE1      HIS  56   5.396   5.245  -8.862
  457    HE2  HIS  56           HE2      HIS  56   4.973   7.034  -7.141
  458    H    LEU  57           HN       LEU  57   4.570   2.202  -1.682
  459    HA   LEU  57           HA       LEU  57   4.351  -0.595  -2.016
  460   1HB   LEU  57          HB2       LEU  57   4.287   1.051   0.518
  461   2HB   LEU  57          HB1       LEU  57   4.541  -0.682   0.441
  462    HG   LEU  57           HG       LEU  57   6.396   1.343  -0.807
  463   1HD1  LEU  57          HD11      LEU  57   6.648  -0.139   1.803
  464   2HD1  LEU  57          HD12      LEU  57   6.350   1.590   1.619
  465   3HD1  LEU  57          HD13      LEU  57   7.877   0.894   1.072
  466   1HD2  LEU  57          HD21      LEU  57   6.654  -1.618  -0.295
  467   2HD2  LEU  57          HD22      LEU  57   7.944  -0.572  -0.886
  468   3HD2  LEU  57          HD23      LEU  57   6.502  -0.831  -1.867
  469    H    CYS  58           HN       CYS  58   2.231   1.820  -0.526
  470    HA   CYS  58           HA       CYS  58   0.095   0.104   0.122
  471   1HB   CYS  58          HB2       CYS  58   0.296   2.416   0.980
  472   2HB   CYS  58          HB1       CYS  58   0.001   3.039  -0.645
  473    HG   CYS  58           HG       CYS  58  -2.512   1.162  -0.188
  474    H    VAL  59           HN       VAL  59   0.833   1.937  -2.806
  475    HA   VAL  59           HA       VAL  59  -1.490   1.282  -4.252
  476    HB   VAL  59           HB       VAL  59   1.272   2.033  -5.216
  477   1HG1  VAL  59          HG11      VAL  59   0.128   0.821  -6.993
  478   2HG1  VAL  59          HG12      VAL  59   0.214   2.539  -7.381
  479   3HG1  VAL  59          HG13      VAL  59  -1.296   1.842  -6.793
  480   1HG2  VAL  59          HG21      VAL  59   0.255   4.221  -5.607
  481   2HG2  VAL  59          HG22      VAL  59   0.133   3.747  -3.912
  482   3HG2  VAL  59          HG23      VAL  59  -1.275   3.623  -4.966
  483    H    ALA  60           HN       ALA  60   1.549  -0.416  -3.788
  484    HA   ALA  60           HA       ALA  60   1.239  -2.365  -5.780
  485   1HB   ALA  60          HB1       ALA  60   2.595  -2.661  -3.106
  486   2HB   ALA  60          HB2       ALA  60   3.336  -2.001  -4.564
  487   3HB   ALA  60          HB3       ALA  60   2.831  -3.690  -4.518
  488    H    ALA  61           HN       ALA  61  -0.039  -2.201  -2.461
  489    HA   ALA  61           HA       ALA  61  -1.194  -4.806  -2.590
  490   1HB   ALA  61          HB1       ALA  61  -0.721  -3.728  -0.460
  491   2HB   ALA  61          HB2       ALA  61  -2.433  -4.129  -0.597
  492   3HB   ALA  61          HB3       ALA  61  -1.894  -2.465  -0.827
  493    H    PHE  62           HN       PHE  62  -2.239  -1.553  -3.418
  494    HA   PHE  62           HA       PHE  62  -4.924  -2.094  -4.003
  495   1HB   PHE  62          HB2       PHE  62  -2.984  -0.102  -5.168
  496   2HB   PHE  62          HB1       PHE  62  -4.650  -0.214  -5.720
  497    HD1  PHE  62           HD1      PHE  62  -6.078  -0.647  -3.199
  498    HD2  PHE  62           HD2      PHE  62  -2.843   1.960  -4.115
  499    HE1  PHE  62           HE1      PHE  62  -6.813   0.893  -1.419
  500    HE2  PHE  62           HE2      PHE  62  -3.578   3.517  -2.346
  501    HZ   PHE  62           HZ       PHE  62  -5.560   2.968  -0.988
  502    H    GLU  63           HN       GLU  63  -2.097  -2.073  -6.157
  503    HA   GLU  63           HA       GLU  63  -3.269  -2.964  -8.498
  504   1HB   GLU  63          HB2       GLU  63  -0.525  -3.391  -7.342
  505   2HB   GLU  63          HB1       GLU  63  -0.961  -4.006  -8.929
  506   1HG   GLU  63          HG2       GLU  63  -1.219  -1.118  -8.156
  507   2HG   GLU  63          HG1       GLU  63   0.230  -1.803  -8.888
  508    H    HIS  64           HN       HIS  64  -2.269  -4.794  -5.695
  509    HA   HIS  64           HA       HIS  64  -2.436  -7.355  -6.935
  510   1HB   HIS  64          HB2       HIS  64  -1.071  -6.784  -4.894
  511   2HB   HIS  64          HB1       HIS  64  -2.577  -6.722  -3.983
  512    HD1  HIS  64           HD1      HIS  64  -0.631  -9.201  -6.121
  513    HD2  HIS  64           HD2      HIS  64  -3.296  -9.120  -2.924
  514    HE1  HIS  64           HE1      HIS  64  -0.813 -11.583  -5.323
  515    HE2  HIS  64           HE2      HIS  64  -2.564 -11.530  -3.517
  516    H    ALA  65           HN       ALA  65  -4.542  -5.593  -4.672
  517    HA   ALA  65           HA       ALA  65  -6.516  -7.650  -4.646
  518   1HB   ALA  65          HB1       ALA  65  -6.759  -4.787  -3.755
  519   2HB   ALA  65          HB2       ALA  65  -6.197  -6.131  -2.761
  520   3HB   ALA  65          HB3       ALA  65  -7.859  -6.104  -3.352
  521    H    SER  66           HN       SER  66  -6.366  -4.431  -6.210
  522    HA   SER  66           HA       SER  66  -8.874  -4.408  -7.362
  523   1HB   SER  66          HB2       SER  66  -7.877  -2.971  -9.152
  524   2HB   SER  66          HB1       SER  66  -7.447  -2.473  -7.516
  525    HG   SER  66           HG       SER  66  -5.420  -3.145  -7.814
  526    H    SER  67           HN       SER  67  -5.929  -5.859  -8.762
  527    HA   SER  67           HA       SER  67  -7.194  -6.652 -11.168
  528   1HB   SER  67          HB2       SER  67  -4.718  -6.361 -10.867
  529   2HB   SER  67          HB1       SER  67  -4.706  -7.858  -9.938
  530    HG   SER  67           HG       SER  67  -5.909  -7.929 -12.461
  531    H    HIS  68           HN       HIS  68  -6.998  -8.110  -8.008
  532    HA   HIS  68           HA       HIS  68  -8.046 -10.638  -9.060
  533   1HB   HIS  68          HB2       HIS  68  -6.142 -10.480  -7.328
  534   2HB   HIS  68          HB1       HIS  68  -7.401 -10.078  -6.169
  535    HD1  HIS  68           HD1      HIS  68  -6.363 -12.890  -8.484
  536    HD2  HIS  68           HD2      HIS  68  -8.734 -12.242  -5.127
  537    HE1  HIS  68           HE1      HIS  68  -7.037 -15.175  -7.678
  538    HE2  HIS  68           HE2      HIS  68  -8.356 -14.766  -5.565
  539    H    SER  69           HN       SER  69  -9.353  -7.818  -8.415
  540    HA   SER  69           HA       SER  69 -11.428  -7.051  -7.952
  541   1HB   SER  69          HB2       SER  69 -12.185  -9.975  -8.152
  542   2HB   SER  69          HB1       SER  69 -13.315  -8.620  -8.178
  543    HG   SER  69           HG       SER  69 -12.030  -9.674 -10.224
  544    H    ILE  70           HN       ILE  70  -9.746  -7.408  -5.786
  545    HA   ILE  70           HA       ILE  70 -11.529  -8.334  -3.640
  546    HB   ILE  70           HB       ILE  70  -8.548  -7.781  -3.548
  547   1HG1  ILE  70          HG12      ILE  70 -10.070 -10.398  -3.611
  548   2HG1  ILE  70          HG11      ILE  70  -9.088  -9.741  -4.917
  549   1HG2  ILE  70          HG21      ILE  70  -8.597  -8.855  -1.357
  550   2HG2  ILE  70          HG22      ILE  70 -10.348  -9.039  -1.476
  551   3HG2  ILE  70          HG23      ILE  70  -9.635  -7.428  -1.384
  552   1HD1  ILE  70          HD11      ILE  70  -8.112 -10.640  -2.215
  553   2HD1  ILE  70          HD12      ILE  70  -7.109  -9.910  -3.468
  554   3HD1  ILE  70          HD13      ILE  70  -7.880 -11.469  -3.756
  555    H    SER  71           HN       SER  71 -11.820  -6.986  -1.777
  556    HA   SER  71           HA       SER  71 -11.682  -4.133  -2.366
  557   1HB   SER  71          HB2       SER  71 -12.966  -5.600  -0.041
  558   2HB   SER  71          HB1       SER  71 -13.140  -3.882  -0.403
  559    HG   SER  71           HG       SER  71 -14.219  -4.396  -2.289
  560    H    ILE  72           HN       ILE  72 -11.037  -2.708  -0.420
  561    HA   ILE  72           HA       ILE  72  -8.803  -3.885   1.067
  562    HB   ILE  72           HB       ILE  72  -8.559  -1.613  -0.919
  563   1HG1  ILE  72          HG12      ILE  72  -7.246  -4.312  -0.668
  564   2HG1  ILE  72          HG11      ILE  72  -8.240  -3.706  -1.990
  565   1HG2  ILE  72          HG21      ILE  72  -7.409  -0.901   1.075
  566   2HG2  ILE  72          HG22      ILE  72  -6.240  -1.320  -0.179
  567   3HG2  ILE  72          HG23      ILE  72  -6.539  -2.435   1.156
  568   1HD1  ILE  72          HD11      ILE  72  -6.513  -2.161  -2.635
  569   2HD1  ILE  72          HD12      ILE  72  -5.855  -3.795  -2.552
  570   3HD1  ILE  72          HD13      ILE  72  -5.523  -2.643  -1.258
  571    H    ILE  73           HN       ILE  73  -8.176  -2.734   2.873
  572    HA   ILE  73           HA       ILE  73  -9.445  -0.143   3.452
  573    HB   ILE  73           HB       ILE  73  -9.325  -2.546   5.289
  574   1HG1  ILE  73          HG12      ILE  73 -11.323  -2.345   3.883
  575   2HG1  ILE  73          HG11      ILE  73 -11.720  -2.113   5.584
  576   1HG2  ILE  73          HG21      ILE  73  -8.428  -0.651   6.518
  577   2HG2  ILE  73          HG22      ILE  73 -10.032  -1.076   7.125
  578   3HG2  ILE  73          HG23      ILE  73  -9.832   0.324   6.070
  579   1HD1  ILE  73          HD11      ILE  73 -11.761   0.317   5.221
  580   2HD1  ILE  73          HD12      ILE  73 -12.930  -0.536   4.212
  581   3HD1  ILE  73          HD13      ILE  73 -11.421   0.050   3.511
  582    HA   PRO  74           HA       PRO  74  -5.062   0.260   4.245
  583   1HB   PRO  74          HB2       PRO  74  -5.079   2.975   3.632
  584   2HB   PRO  74          HB1       PRO  74  -4.842   1.656   2.485
  585   1HG   PRO  74          HG2       PRO  74  -7.041   3.448   2.614
  586   2HG   PRO  74          HG1       PRO  74  -6.875   2.028   1.571
  587   1HD   PRO  74          HD2       PRO  74  -8.329   2.327   4.146
  588   2HD   PRO  74          HD1       PRO  74  -8.669   1.255   2.769
  589    H    SER  75           HN       SER  75  -4.745   0.085   6.436
  590    HA   SER  75           HA       SER  75  -5.305   2.237   8.272
  591   1HB   SER  75          HB2       SER  75  -5.004  -0.146   8.993
  592   2HB   SER  75          HB1       SER  75  -3.307  -0.039   8.526
  593    HG   SER  75           HG       SER  75  -4.623   0.989  10.738
  594    H    CYS  76           HN       CYS  76  -3.052   1.494   5.902
  595    HA   CYS  76           HA       CYS  76  -0.931   3.256   6.513
  596   1HB   CYS  76          HB2       CYS  76  -1.796   2.479   3.732
  597   2HB   CYS  76          HB1       CYS  76  -0.182   2.868   4.313
  598    HG   CYS  76           HG       CYS  76   0.467   0.423   4.603
  599    H    SER  77           HN       SER  77  -3.834   4.205   6.592
  600    HA   SER  77           HA       SER  77  -4.611   5.747   4.486
  601   1HB   SER  77          HB2       SER  77  -5.971   6.989   6.227
  602   2HB   SER  77          HB1       SER  77  -6.153   5.236   6.193
  603    HG   SER  77           HG       SER  77  -4.914   6.879   8.094
  604    H    TYR  78           HN       TYR  78  -1.907   6.579   6.490
  605    HA   TYR  78           HA       TYR  78  -1.867   9.347   6.036
  606   1HB   TYR  78          HB2       TYR  78   0.145   9.059   7.014
  607   2HB   TYR  78          HB1       TYR  78   0.073   7.325   6.730
  608    HD1  TYR  78           HD1      TYR  78   1.163  10.554   5.245
  609    HD2  TYR  78           HD2      TYR  78   1.413   6.309   5.061
  610    HE1  TYR  78           HE1      TYR  78   2.989  10.733   3.605
  611    HE2  TYR  78           HE2      TYR  78   3.237   6.473   3.422
  612    HH   TYR  78           HH       TYR  78   4.876   9.375   2.778
  613    H    VAL  79           HN       VAL  79  -0.907   6.630   3.979
  614    HA   VAL  79           HA       VAL  79  -0.370   8.079   1.620
  615    HB   VAL  79           HB       VAL  79  -1.454   5.261   1.911
  616   1HG1  VAL  79          HG11      VAL  79  -1.795   6.148  -0.336
  617   2HG1  VAL  79          HG12      VAL  79  -0.570   4.881  -0.333
  618   3HG1  VAL  79          HG13      VAL  79  -0.087   6.575  -0.439
  619   1HG2  VAL  79          HG21      VAL  79   0.666   5.550   3.077
  620   2HG2  VAL  79          HG22      VAL  79   1.394   6.205   1.610
  621   3HG2  VAL  79          HG23      VAL  79   0.855   4.524   1.656
  622    H    SER  80           HN       SER  80  -3.262   6.476   2.845
  623    HA   SER  80           HA       SER  80  -4.882   6.848   0.600
  624   1HB   SER  80          HB2       SER  80  -5.823   6.743   3.464
  625   2HB   SER  80          HB1       SER  80  -6.702   6.227   2.022
  626    HG   SER  80           HG       SER  80  -5.354   4.516   1.799
  627    H    ASP  81           HN       ASP  81  -4.323   8.921   3.371
  628    HA   ASP  81           HA       ASP  81  -6.491  10.680   2.902
  629   1HB   ASP  81          HB2       ASP  81  -5.508  10.529   5.098
  630   2HB   ASP  81          HB1       ASP  81  -3.927  10.992   4.487
  631    H    THR  82           HN       THR  82  -2.988  11.002   2.184
  632    HA   THR  82           HA       THR  82  -3.573  13.432   0.706
  633    HB   THR  82           HB       THR  82  -1.617  13.514   2.112
  634    HG1  THR  82           HG1      THR  82  -1.665  14.442  -0.179
  635   1HG2  THR  82          HG21      THR  82  -0.491  11.275   0.430
  636   2HG2  THR  82          HG22      THR  82  -1.006  11.151   2.113
  637   3HG2  THR  82          HG23      THR  82   0.372  12.165   1.682
  638    H    PHE  83           HN       PHE  83  -2.293  10.194   0.002
  639    HA   PHE  83           HA       PHE  83  -1.611  10.844  -2.689
  640   1HB   PHE  83          HB2       PHE  83  -0.679   9.002  -1.081
  641   2HB   PHE  83          HB1       PHE  83  -1.980   8.029  -1.756
  642    HD1  PHE  83           HD1      PHE  83  -0.980   6.472  -3.148
  643    HD2  PHE  83           HD2      PHE  83   0.236  10.544  -3.362
  644    HE1  PHE  83           HE1      PHE  83   0.404   5.954  -5.117
  645    HE2  PHE  83           HE2      PHE  83   1.627  10.033  -5.327
  646    HZ   PHE  83           HZ       PHE  83   1.709   7.732  -6.207
  647    H    LEU  84           HN       LEU  84  -4.368   9.204  -1.189
  648    HA   LEU  84           HA       LEU  84  -5.341   8.127  -3.615
  649   1HB   LEU  84          HB2       LEU  84  -6.526   8.521  -0.916
  650   2HB   LEU  84          HB1       LEU  84  -7.557   8.038  -2.251
  651    HG   LEU  84           HG       LEU  84  -5.092   6.550  -1.326
  652   1HD1  LEU  84          HD11      LEU  84  -6.893   6.376   0.294
  653   2HD1  LEU  84          HD12      LEU  84  -6.652   4.844  -0.546
  654   3HD1  LEU  84          HD13      LEU  84  -8.008   5.886  -0.981
  655   1HD2  LEU  84          HD21      LEU  84  -5.863   4.800  -2.848
  656   2HD2  LEU  84          HD22      LEU  84  -5.493   6.297  -3.704
  657   3HD2  LEU  84          HD23      LEU  84  -7.171   5.853  -3.390
  658    HA   PRO  85           HA       PRO  85  -8.079  12.139  -3.925
  659   1HB   PRO  85          HB2       PRO  85  -6.148  14.024  -2.720
  660   2HB   PRO  85          HB1       PRO  85  -7.909  14.021  -2.644
  661   1HG   PRO  85          HG2       PRO  85  -6.415  13.321  -0.542
  662   2HG   PRO  85          HG1       PRO  85  -7.961  12.530  -0.896
  663   1HD   PRO  85          HD2       PRO  85  -5.176  11.540  -1.344
  664   2HD   PRO  85          HD1       PRO  85  -6.634  10.650  -0.853
  665    H    ARG  86           HN       ARG  86  -4.572  11.958  -3.879
  666    HA   ARG  86           HA       ARG  86  -4.150  13.576  -6.191
  667   1HB   ARG  86          HB2       ARG  86  -2.432  11.580  -4.733
  668   2HB   ARG  86          HB1       ARG  86  -1.899  12.311  -6.242
  669   1HG   ARG  86          HG2       ARG  86  -2.089  14.530  -5.241
  670   2HG   ARG  86          HG1       ARG  86  -2.631  13.800  -3.728
  671   1HD   ARG  86          HD2       ARG  86  -0.540  12.771  -3.364
  672   2HD   ARG  86          HD1       ARG  86  -0.010  13.086  -5.014
  673    HE   ARG  86           HE       ARG  86  -0.345  15.566  -4.100
  674   1HH1  ARG  86          HH11      ARG  86   1.196  12.817  -2.592
  675   2HH1  ARG  86          HH12      ARG  86   2.408  13.760  -1.784
  676   1HH2  ARG  86          HH21      ARG  86   1.254  16.827  -3.059
  677   2HH2  ARG  86          HH22      ARG  86   2.444  16.050  -2.049
  678    H    ASN  87           HN       ASN  87  -4.436  10.068  -5.694
  679    HA   ASN  87           HA       ASN  87  -5.189   9.877  -8.513
  680   1HB   ASN  87          HB2       ASN  87  -3.970   7.833  -8.908
  681   2HB   ASN  87          HB1       ASN  87  -2.856   9.079  -8.385
  682   1HD2  ASN  87          HD21      ASN  87  -3.379   8.831  -5.567
  683   2HD2  ASN  87          HD22      ASN  87  -2.722   7.318  -5.067
  684    HA   PRO  88           HA       PRO  88  -8.481   8.140  -5.971
  685   1HB   PRO  88          HB2       PRO  88 -10.250   9.060  -8.075
  686   2HB   PRO  88          HB1       PRO  88 -10.099   9.655  -6.421
  687   1HG   PRO  88          HG2       PRO  88  -9.365  11.110  -8.601
  688   2HG   PRO  88          HG1       PRO  88  -8.600  11.288  -7.011
  689   1HD   PRO  88          HD2       PRO  88  -7.653   9.760  -9.409
  690   2HD   PRO  88          HD1       PRO  88  -6.736  10.813  -8.309
  691    H    SER  89           HN       SER  89  -6.974   6.419  -7.702
  692    HA   SER  89           HA       SER  89  -8.864   5.284  -9.609
  693   1HB   SER  89          HB2       SER  89  -6.042   4.386  -8.980
  694   2HB   SER  89          HB1       SER  89  -6.992   3.990 -10.412
  695    HG   SER  89           HG       SER  89  -7.032   6.392 -10.716
  696    H    TRP  90           HN       TRP  90  -8.190   4.889  -6.378
  697    HA   TRP  90           HA       TRP  90  -8.626   1.981  -6.453
  698   1HB   TRP  90          HB2       TRP  90  -7.311   3.431  -4.179
  699   2HB   TRP  90          HB1       TRP  90  -7.172   1.735  -4.633
  700    HD1  TRP  90           HD1      TRP  90  -5.360   4.921  -4.915
  701    HE1  TRP  90           HE1      TRP  90  -3.460   4.764  -6.635
  702    HE3  TRP  90           HE3      TRP  90  -6.685   0.534  -7.174
  703    HZ2  TRP  90           HZ2      TRP  90  -2.630   3.008  -8.682
  704    HZ3  TRP  90           HZ3      TRP  90  -5.284  -0.313  -9.008
  705    HH2  TRP  90           HH2      TRP  90  -3.298   0.901  -9.745
  706    H    LYS  91           HN       LYS  91 -10.388   4.543  -6.077
  707    HA   LYS  91           HA       LYS  91 -11.642   4.378  -3.588
  708   1HB   LYS  91          HB2       LYS  91 -12.751   5.193  -6.276
  709   2HB   LYS  91          HB1       LYS  91 -13.640   5.355  -4.769
  710   1HG   LYS  91          HG2       LYS  91 -11.865   6.830  -3.908
  711   2HG   LYS  91          HG1       LYS  91 -11.045   6.705  -5.467
  712   1HD   LYS  91          HD2       LYS  91 -12.933   7.717  -6.585
  713   2HD   LYS  91          HD1       LYS  91 -13.851   7.741  -5.078
  714   1HE   LYS  91          HE2       LYS  91 -12.265   9.289  -4.099
  715   2HE   LYS  91          HE1       LYS  91 -11.266   9.217  -5.553
  716   1HZ   LYS  91          HZ1       LYS  91 -13.986  10.372  -5.286
  717   2HZ   LYS  91          HZ2       LYS  91 -13.241  10.098  -6.784
  718   3HZ   LYS  91          HZ3       LYS  91 -12.549  11.184  -5.683
  719    HA   PRO  92           HA       PRO  92 -14.714   1.163  -5.749
  720   1HB   PRO  92          HB2       PRO  92 -13.351  -0.469  -7.505
  721   2HB   PRO  92          HB1       PRO  92 -14.434   0.844  -7.972
  722   1HG   PRO  92          HG2       PRO  92 -11.454   0.824  -7.762
  723   2HG   PRO  92          HG1       PRO  92 -12.489   1.582  -8.987
  724   1HD   PRO  92          HD2       PRO  92 -11.365   3.032  -7.056
  725   2HD   PRO  92          HD1       PRO  92 -13.017   3.375  -7.610
  726    H    LEU  93           HN       LEU  93 -11.577   0.887  -4.563
  727    HA   LEU  93           HA       LEU  93 -11.872  -1.943  -3.880
  728   1HB   LEU  93          HB2       LEU  93  -9.533  -0.103  -3.393
  729   2HB   LEU  93          HB1       LEU  93  -9.544  -1.850  -3.231
  730    HG   LEU  93           HG       LEU  93  -9.980  -0.384  -5.825
  731   1HD1  LEU  93          HD11      LEU  93  -7.501  -1.736  -4.751
  732   2HD1  LEU  93          HD12      LEU  93  -7.715  -0.006  -5.016
  733   3HD1  LEU  93          HD13      LEU  93  -7.699  -1.114  -6.388
  734   1HD2  LEU  93          HD21      LEU  93  -9.490  -3.298  -5.200
  735   2HD2  LEU  93          HD22      LEU  93  -9.609  -2.599  -6.817
  736   3HD2  LEU  93          HD23      LEU  93 -11.011  -2.586  -5.746
  737    H    ILE  94           HN       ILE  94 -11.402   1.220  -2.401
  738    HA   ILE  94           HA       ILE  94 -11.783  -0.009   0.249
  739    HB   ILE  94           HB       ILE  94 -10.453   1.759   1.197
  740   1HG1  ILE  94          HG12      ILE  94  -9.955   2.900  -1.545
  741   2HG1  ILE  94          HG11      ILE  94 -11.274   3.483  -0.530
  742   1HG2  ILE  94          HG21      ILE  94  -9.205  -0.120   0.309
  743   2HG2  ILE  94          HG22      ILE  94  -8.285   1.373   0.111
  744   3HG2  ILE  94          HG23      ILE  94  -9.120   0.661  -1.270
  745   1HD1  ILE  94          HD11      ILE  94  -9.306   4.879  -0.308
  746   2HD1  ILE  94          HD12      ILE  94  -8.361   3.478   0.197
  747   3HD1  ILE  94          HD13      ILE  94  -9.678   4.063   1.211
  748    H    HIS  95           HN       HIS  95 -12.064   2.445   1.608
  749    HA   HIS  95           HA       HIS  95 -14.730   3.249   1.249
  750   1HB   HIS  95          HB2       HIS  95 -12.384   4.627   2.578
  751   2HB   HIS  95          HB1       HIS  95 -14.042   5.214   2.677
  752    HD1  HIS  95           HD1      HIS  95 -11.921   3.859   4.909
  753    HD2  HIS  95           HD2      HIS  95 -15.538   2.412   3.440
  754    HE1  HIS  95           HE1      HIS  95 -12.811   2.320   6.684
  755    HE2  HIS  95           HE2      HIS  95 -15.081   1.595   5.854
  756    H    SER  96           HN       SER  96 -11.853   5.285   0.725
  757    HA   SER  96           HA       SER  96 -12.182   5.804  -1.983
  758   1HB   SER  96          HB2       SER  96 -14.285   6.930  -1.343
  759   2HB   SER  96          HB1       SER  96 -13.391   7.969  -0.234
  760    HG   SER  96           HG       SER  96 -12.463   9.009  -1.926
  761    H    GLU  97           HN       GLU  97 -11.544   7.667   0.964
  762    HA   GLU  97           HA       GLU  97  -8.783   8.091   0.077
  763   1HB   GLU  97          HB2       GLU  97 -10.135  10.123  -0.212
  764   2HB   GLU  97          HB1       GLU  97 -10.660  10.047   1.465
  765   1HG   GLU  97          HG2       GLU  97  -8.281  10.422   2.120
  766   2HG   GLU  97          HG1       GLU  97  -7.911  10.661   0.409
  767    H    VAL  98           HN       VAL  98  -8.544   9.519   2.823
  768    HA   VAL  98           HA       VAL  98  -7.527   7.412   4.307
  769    HB   VAL  98           HB       VAL  98  -6.840   9.607   4.858
  770   1HG1  VAL  98          HG11      VAL  98  -8.360  11.311   5.766
  771   2HG1  VAL  98          HG12      VAL  98  -9.721  10.225   5.482
  772   3HG1  VAL  98          HG13      VAL  98  -8.781  10.837   4.120
  773   1HG2  VAL  98          HG21      VAL  98  -7.207   9.747   7.262
  774   2HG2  VAL  98          HG22      VAL  98  -6.922   8.078   6.767
  775   3HG2  VAL  98          HG23      VAL  98  -8.559   8.624   7.133
  776    H    PHE  99           HN       PHE  99 -10.776   8.817   4.407
  777    HA   PHE  99           HA       PHE  99 -11.909   6.429   5.479
  778   1HB   PHE  99          HB2       PHE  99 -10.958   7.316   7.559
  779   2HB   PHE  99          HB1       PHE  99 -11.773   8.852   7.291
  780    HD1  PHE  99           HD1      PHE  99 -12.565   5.216   7.614
  781    HD2  PHE  99           HD2      PHE  99 -13.768   9.231   8.368
  782    HE1  PHE  99           HE1      PHE  99 -14.520   4.394   8.864
  783    HE2  PHE  99           HE2      PHE  99 -15.721   8.413   9.620
  784    HZ   PHE  99           HZ       PHE  99 -16.100   5.994   9.868
  785    H    LYS 100           HN       LYS 100 -12.174   9.808   4.707
  786    HA   LYS 100           HA       LYS 100 -14.993  10.008   4.784
  787   1HB   LYS 100          HB2       LYS 100 -14.510  12.126   3.407
  788   2HB   LYS 100          HB1       LYS 100 -13.872  12.030   5.042
  789   1HG   LYS 100          HG2       LYS 100 -12.134  12.916   3.759
  790   2HG   LYS 100          HG1       LYS 100 -11.704  11.223   3.988
  791   1HD   LYS 100          HD2       LYS 100 -11.275  11.543   1.739
  792   2HD   LYS 100          HD1       LYS 100 -12.911  10.881   1.708
  793   1HE   LYS 100          HE2       LYS 100 -13.846  13.085   1.452
  794   2HE   LYS 100          HE1       LYS 100 -12.256  13.814   1.664
  795   1HZ   LYS 100          HZ1       LYS 100 -12.905  13.729  -0.660
  796   2HZ   LYS 100          HZ2       LYS 100 -13.035  12.043  -0.585
  797   3HZ   LYS 100          HZ3       LYS 100 -11.522  12.785  -0.376
  798    H    SER 101           HN       SER 101 -16.065  10.996   2.686
  799    HA   SER 101           HA       SER 101 -17.111  10.499   0.743
  800   1HB   SER 101          HB2       SER 101 -14.489   9.193  -0.027
  801   2HB   SER 101          HB1       SER 101 -15.799   9.608  -1.131
  802    HG   SER 101           HG       SER 101 -14.862  11.477  -1.276
  803    H    SER 102           HN       SER 102 -17.345   8.848   2.984
  804    HA   SER 102           HA       SER 102 -18.409   6.441   1.806
  805   1HB   SER 102          HB2       SER 102 -16.053   5.817   2.179
  806   2HB   SER 102          HB1       SER 102 -16.176   6.328   3.860
  807    HG   SER 102           HG       SER 102 -17.046   4.481   4.336
  808    H    ILE 103           HN       ILE 103 -19.343   5.065   3.790
  809    HA   ILE 103           HA       ILE 103 -20.803   6.947   5.427
  810    HB   ILE 103           HB       ILE 103 -21.896   4.859   6.369
  811   1HG1  ILE 103          HG12      ILE 103 -20.468   3.550   4.039
  812   2HG1  ILE 103          HG11      ILE 103 -20.089   3.274   5.735
  813   1HG2  ILE 103          HG21      ILE 103 -22.945   6.261   4.692
  814   2HG2  ILE 103          HG22      ILE 103 -23.293   4.563   4.367
  815   3HG2  ILE 103          HG23      ILE 103 -22.081   5.414   3.408
  816   1HD1  ILE 103          HD11      ILE 103 -21.437   1.472   4.852
  817   2HD1  ILE 103          HD12      ILE 103 -22.686   2.617   4.365
  818   3HD1  ILE 103          HD13      ILE 103 -22.340   2.366   6.076
  Start of MODEL    2
    1   1H    MET   1           HT1      MET   1   7.999   4.241 -19.215
    2   2H    MET   1           HT2      MET   1   8.133   3.190 -17.891
    3   3H    MET   1           HT3      MET   1   6.714   3.212 -18.815
    4    HA   MET   1           HA       MET   1   7.888   2.377 -20.725
    5   1HB   MET   1          HB2       MET   1  10.235   2.521 -18.837
    6   2HB   MET   1          HB1       MET   1  10.244   1.473 -20.249
    7   1HG   MET   1          HG2       MET   1  11.376   3.516 -20.769
    8   2HG   MET   1          HG1       MET   1   9.870   3.440 -21.679
    9   1HE   MET   1          HE1       MET   1  10.636   6.144 -18.023
   10   2HE   MET   1          HE2       MET   1  11.870   5.166 -18.817
   11   3HE   MET   1          HE3       MET   1  10.579   4.386 -17.902
   12    H    ALA   2           HN       ALA   2   9.268  -0.015 -20.427
   13    HA   ALA   2           HA       ALA   2   7.247  -1.756 -19.657
   14   1HB   ALA   2          HB1       ALA   2  10.197  -2.347 -19.808
   15   2HB   ALA   2          HB2       ALA   2   9.071  -2.367 -21.163
   16   3HB   ALA   2          HB3       ALA   2   8.892  -3.533 -19.854
   17    H    THR   3           HN       THR   3  10.068  -0.672 -17.810
   18    HA   THR   3           HA       THR   3   8.652  -1.230 -15.352
   19    HB   THR   3           HB       THR   3   9.711  -3.394 -15.740
   20    HG1  THR   3           HG1      THR   3   9.920  -2.008 -13.563
   21   1HG2  THR   3          HG21      THR   3  12.158  -3.632 -15.797
   22   2HG2  THR   3          HG22      THR   3  12.318  -1.875 -15.833
   23   3HG2  THR   3          HG23      THR   3  11.551  -2.717 -17.178
   24    H    GLU   4           HN       GLU   4   8.958   0.349 -14.020
   25    HA   GLU   4           HA       GLU   4  10.999   2.327 -14.506
   26   1HB   GLU   4          HB2       GLU   4   8.588   2.097 -12.769
   27   2HB   GLU   4          HB1       GLU   4   9.851   3.206 -12.261
   28   1HG   GLU   4          HG2       GLU   4   8.179   4.389 -13.516
   29   2HG   GLU   4          HG1       GLU   4   9.691   4.362 -14.418
   30    HA   PRO   5           HA       PRO   5  14.224   1.407 -11.641
   31   1HB   PRO   5          HB2       PRO   5  13.240   3.670  -9.951
   32   2HB   PRO   5          HB1       PRO   5  14.885   3.282 -10.466
   33   1HG   PRO   5          HG2       PRO   5  13.498   5.192 -11.689
   34   2HG   PRO   5          HG1       PRO   5  14.555   4.104 -12.606
   35   1HD   PRO   5          HD2       PRO   5  11.593   4.186 -12.455
   36   2HD   PRO   5          HD1       PRO   5  12.643   3.647 -13.779
   37    HA   PRO   6           HA       PRO   6  12.022   0.893  -7.354
   38   1HB   PRO   6          HB2       PRO   6   9.306   0.915  -7.334
   39   2HB   PRO   6          HB1       PRO   6  10.279   2.349  -7.034
   40   1HG   PRO   6          HG2       PRO   6   8.957   1.450  -9.566
   41   2HG   PRO   6          HG1       PRO   6   8.956   3.061  -8.819
   42   1HD   PRO   6          HD2       PRO   6  10.593   2.483 -10.847
   43   2HD   PRO   6          HD1       PRO   6  11.121   3.503  -9.487
   44    H    LYS   7           HN       LYS   7  11.830  -1.156  -6.647
   45    HA   LYS   7           HA       LYS   7  10.486  -3.108  -8.373
   46   1HB   LYS   7          HB2       LYS   7  13.152  -2.901  -8.514
   47   2HB   LYS   7          HB1       LYS   7  13.049  -3.921  -7.085
   48   1HG   LYS   7          HG2       LYS   7  13.023  -5.620  -8.536
   49   2HG   LYS   7          HG1       LYS   7  11.337  -5.178  -8.806
   50   1HD   LYS   7          HD2       LYS   7  13.717  -4.243 -10.409
   51   2HD   LYS   7          HD1       LYS   7  12.503  -5.412 -10.926
   52   1HE   LYS   7          HE2       LYS   7  11.905  -2.540 -10.225
   53   2HE   LYS   7          HE1       LYS   7  12.198  -3.118 -11.865
   54   1HZ   LYS   7          HZ1       LYS   7  10.001  -4.012 -10.073
   55   2HZ   LYS   7          HZ2       LYS   7  10.289  -4.591 -11.640
   56   3HZ   LYS   7          HZ3       LYS   7   9.845  -2.974 -11.402
   57    H    ILE   8           HN       ILE   8   8.856  -3.632  -7.043
   58    HA   ILE   8           HA       ILE   8   9.392  -3.717  -4.175
   59    HB   ILE   8           HB       ILE   8   6.696  -3.960  -5.504
   60   1HG1  ILE   8          HG12      ILE   8   7.826  -1.864  -6.214
   61   2HG1  ILE   8          HG11      ILE   8   6.415  -1.561  -5.203
   62   1HG2  ILE   8          HG21      ILE   8   7.565  -3.146  -2.733
   63   2HG2  ILE   8          HG22      ILE   8   6.788  -4.664  -3.186
   64   3HG2  ILE   8          HG23      ILE   8   5.902  -3.144  -3.322
   65   1HD1  ILE   8          HD11      ILE   8   8.254  -0.084  -4.633
   66   2HD1  ILE   8          HD12      ILE   8   9.288  -1.477  -4.311
   67   3HD1  ILE   8          HD13      ILE   8   7.881  -1.168  -3.292
   68    H    VAL   9           HN       VAL   9   9.699  -5.556  -3.169
   69    HA   VAL   9           HA       VAL   9   9.204  -8.046  -4.610
   70    HB   VAL   9           HB       VAL   9  10.700  -7.561  -2.026
   71   1HG1  VAL   9          HG11      VAL   9  11.587  -9.827  -2.365
   72   2HG1  VAL   9          HG12      VAL   9  10.542 -10.021  -3.773
   73   3HG1  VAL   9          HG13      VAL   9   9.833  -9.839  -2.168
   74   1HG2  VAL   9          HG21      VAL   9  11.705  -8.011  -4.829
   75   2HG2  VAL   9          HG22      VAL   9  12.708  -7.870  -3.384
   76   3HG2  VAL   9          HG23      VAL   9  11.757  -6.491  -3.938
   77    H    TRP  10           HN       TRP  10   7.426  -9.143  -4.247
   78    HA   TRP  10           HA       TRP  10   5.759  -8.480  -1.987
   79   1HB   TRP  10          HB2       TRP  10   4.777  -8.797  -4.205
   80   2HB   TRP  10          HB1       TRP  10   5.361 -10.457  -4.240
   81    HD1  TRP  10           HD1      TRP  10   3.839  -9.200  -0.990
   82    HE1  TRP  10           HE1      TRP  10   1.557 -10.332  -0.623
   83    HE3  TRP  10           HE3      TRP  10   3.328 -11.456  -5.549
   84    HZ2  TRP  10           HZ2      TRP  10  -0.223 -11.965  -2.087
   85    HZ3  TRP  10           HZ3      TRP  10   1.303 -12.781  -5.986
   86    HH2  TRP  10           HH2      TRP  10  -0.433 -13.029  -4.289
   87    H    ASN  11           HN       ASN  11   6.398  -9.296  -0.122
   88    HA   ASN  11           HA       ASN  11   7.440 -12.003   0.064
   89   1HB   ASN  11          HB2       ASN  11   8.280 -10.006   1.440
   90   2HB   ASN  11          HB1       ASN  11   6.770 -10.108   2.328
   91   1HD2  ASN  11          HD21      ASN  11   6.839 -13.103   2.093
   92   2HD2  ASN  11          HD22      ASN  11   7.997 -13.610   3.271
   93    H    GLU  12           HN       GLU  12   5.465 -12.855  -0.860
   94    HA   GLU  12           HA       GLU  12   2.922 -12.471   0.247
   95   1HB   GLU  12          HB2       GLU  12   2.628 -14.876  -0.916
   96   2HB   GLU  12          HB1       GLU  12   2.624 -13.356  -1.792
   97   1HG   GLU  12          HG2       GLU  12   4.000 -15.002  -2.901
   98   2HG   GLU  12          HG1       GLU  12   4.972 -13.646  -2.345
   99    H    GLY  13           HN       GLY  13   5.528 -14.472   1.233
  100   1HA   GLY  13          HA2       GLY  13   4.118 -16.348   2.799
  101   2HA   GLY  13          HA1       GLY  13   5.786 -15.850   3.058
  102    H    LYS  14           HN       LYS  14   4.879 -13.005   3.307
  103    HA   LYS  14           HA       LYS  14   3.857 -13.186   6.065
  104   1HB   LYS  14          HB2       LYS  14   5.473 -10.941   4.860
  105   2HB   LYS  14          HB1       LYS  14   5.042 -11.144   6.551
  106   1HG   LYS  14          HG2       LYS  14   6.902 -12.898   4.967
  107   2HG   LYS  14          HG1       LYS  14   7.366 -11.693   6.169
  108   1HD   LYS  14          HD2       LYS  14   6.179 -12.972   7.894
  109   2HD   LYS  14          HD1       LYS  14   5.726 -14.179   6.687
  110   1HE   LYS  14          HE2       LYS  14   7.631 -14.986   7.911
  111   2HE   LYS  14          HE1       LYS  14   8.141 -14.582   6.269
  112   1HZ   LYS  14          HZ1       LYS  14   9.771 -13.708   7.692
  113   2HZ   LYS  14          HZ2       LYS  14   8.628 -13.060   8.761
  114   3HZ   LYS  14          HZ3       LYS  14   8.840 -12.368   7.231
  115    H    ARG  15           HN       ARG  15   2.823 -12.590   3.082
  116    HA   ARG  15           HA       ARG  15   1.273 -11.301   2.041
  117   1HB   ARG  15          HB2       ARG  15   0.235 -10.922   4.860
  118   2HB   ARG  15          HB1       ARG  15  -0.664 -10.590   3.384
  119   1HG   ARG  15          HG2       ARG  15  -0.551 -12.935   2.767
  120   2HG   ARG  15          HG1       ARG  15   0.397 -13.264   4.212
  121   1HD   ARG  15          HD2       ARG  15  -1.453 -12.693   5.631
  122   2HD   ARG  15          HD1       ARG  15  -2.402 -12.159   4.242
  123    HE   ARG  15           HE       ARG  15  -2.287 -14.535   3.475
  124   1HH1  ARG  15          HH11      ARG  15  -1.980 -13.755   6.883
  125   2HH1  ARG  15          HH12      ARG  15  -2.486 -15.328   7.416
  126   1HH2  ARG  15          HH21      ARG  15  -2.958 -16.590   4.167
  127   2HH2  ARG  15          HH22      ARG  15  -3.069 -16.937   5.868
  128    H    ARG  16           HN       ARG  16   3.462  -9.994   2.015
  129    HA   ARG  16           HA       ARG  16   2.756  -7.232   2.581
  130   1HB   ARG  16          HB2       ARG  16   4.723  -6.781   3.897
  131   2HB   ARG  16          HB1       ARG  16   3.834  -8.108   4.622
  132   1HG   ARG  16          HG2       ARG  16   5.393  -9.698   3.955
  133   2HG   ARG  16          HG1       ARG  16   6.134  -8.612   2.780
  134   1HD   ARG  16          HD2       ARG  16   6.820  -7.161   4.720
  135   2HD   ARG  16          HD1       ARG  16   6.268  -8.454   5.786
  136    HE   ARG  16           HE       ARG  16   7.956  -9.882   4.598
  137   1HH1  ARG  16          HH11      ARG  16   8.333  -6.414   4.807
  138   2HH1  ARG  16          HH12      ARG  16  10.064  -6.458   4.628
  139   1HH2  ARG  16          HH21      ARG  16  10.232  -9.952   4.383
  140   2HH2  ARG  16          HH22      ARG  16  11.144  -8.471   4.436
  141    H    PHE  17           HN       PHE  17   4.383  -5.712   1.725
  142    HA   PHE  17           HA       PHE  17   5.962  -6.857  -0.494
  143   1HB   PHE  17          HB2       PHE  17   4.708  -4.102  -0.392
  144   2HB   PHE  17          HB1       PHE  17   5.642  -4.770  -1.724
  145    HD1  PHE  17           HD1      PHE  17   2.403  -4.459  -0.226
  146    HD2  PHE  17           HD2      PHE  17   4.705  -6.732  -2.983
  147    HE1  PHE  17           HE1      PHE  17   0.335  -5.323  -1.236
  148    HE2  PHE  17           HE2      PHE  17   2.642  -7.594  -4.004
  149    HZ   PHE  17           HZ       PHE  17   0.444  -6.881  -3.118
  150    H    GLU  18           HN       GLU  18   8.019  -5.916  -0.855
  151    HA   GLU  18           HA       GLU  18   8.915  -3.879   1.052
  152   1HB   GLU  18          HB2       GLU  18   9.529  -6.279   1.778
  153   2HB   GLU  18          HB1       GLU  18  10.649  -6.249   0.422
  154   1HG   GLU  18          HG2       GLU  18  11.914  -4.513   1.366
  155   2HG   GLU  18          HG1       GLU  18  10.670  -4.157   2.564
  156    H    THR  19           HN       THR  19  10.007  -2.318   0.126
  157    HA   THR  19           HA       THR  19  10.128  -2.208  -2.703
  158    HB   THR  19           HB       THR  19   9.840  -0.236  -1.149
  159    HG1  THR  19           HG1      THR  19  12.002   0.509  -2.730
  160   1HG2  THR  19          HG21      THR  19  11.656  -0.795   0.411
  161   2HG2  THR  19          HG22      THR  19  11.809   0.835  -0.240
  162   3HG2  THR  19          HG23      THR  19  12.832  -0.458  -0.855
  163    H    GLU  20           HN       GLU  20  12.209  -1.438  -3.796
  164    HA   GLU  20           HA       GLU  20  14.065  -3.556  -3.811
  165   1HB   GLU  20          HB2       GLU  20  15.380  -1.859  -5.277
  166   2HB   GLU  20          HB1       GLU  20  13.844  -2.492  -5.844
  167   1HG   GLU  20          HG2       GLU  20  14.071  -0.092  -6.256
  168   2HG   GLU  20          HG1       GLU  20  12.709  -0.470  -5.210
  169    H    ASP  21           HN       ASP  21  13.728  -1.203  -1.645
  170    HA   ASP  21           HA       ASP  21  16.579  -0.836  -1.077
  171   1HB   ASP  21          HB2       ASP  21  15.017   1.139  -1.318
  172   2HB   ASP  21          HB1       ASP  21  14.212   0.590   0.144
  173    H    HIS  22           HN       HIS  22  13.720  -2.377  -0.025
  174    HA   HIS  22           HA       HIS  22  13.241  -3.896   1.568
  175   1HB   HIS  22          HB2       HIS  22  16.240  -3.891   1.916
  176   2HB   HIS  22          HB1       HIS  22  15.170  -4.961   2.819
  177    HD1  HIS  22           HD1      HIS  22  13.872  -6.770   1.453
  178    HD2  HIS  22           HD2      HIS  22  16.697  -4.623  -0.728
  179    HE1  HIS  22           HE1      HIS  22  14.258  -8.094  -0.657
  180    HE2  HIS  22           HE2      HIS  22  15.845  -6.697  -2.031
  181    H    GLU  23           HN       GLU  23  14.688  -0.948   2.359
  182    HA   GLU  23           HA       GLU  23  14.328  -1.134   5.205
  183   1HB   GLU  23          HB2       GLU  23  14.667   1.296   3.431
  184   2HB   GLU  23          HB1       GLU  23  14.797   1.278   5.183
  185   1HG   GLU  23          HG2       GLU  23  16.601  -0.217   3.290
  186   2HG   GLU  23          HG1       GLU  23  16.977   1.323   4.071
  187    H    ALA  24           HN       ALA  24  12.486  -0.260   2.435
  188    HA   ALA  24           HA       ALA  24  10.274   0.715   4.100
  189   1HB   ALA  24          HB1       ALA  24  10.723   1.031   1.134
  190   2HB   ALA  24          HB2       ALA  24  11.058   2.256   2.358
  191   3HB   ALA  24          HB3       ALA  24   9.399   1.729   2.067
  192    H    PHE  25           HN       PHE  25   8.306  -0.315   4.046
  193    HA   PHE  25           HA       PHE  25   7.812  -2.463   2.192
  194   1HB   PHE  25          HB2       PHE  25   7.615  -4.214   3.909
  195   2HB   PHE  25          HB1       PHE  25   9.259  -3.596   3.805
  196    HD1  PHE  25           HD1      PHE  25   6.393  -4.113   5.911
  197    HD2  PHE  25           HD2      PHE  25  10.064  -1.990   5.548
  198    HE1  PHE  25           HE1      PHE  25   6.370  -3.669   8.332
  199    HE2  PHE  25           HE2      PHE  25  10.047  -1.544   7.969
  200    HZ   PHE  25           HZ       PHE  25   8.200  -2.384   9.364
  201    H    ILE  26           HN       ILE  26   5.724  -3.559   2.696
  202    HA   ILE  26           HA       ILE  26   3.836  -1.930   4.224
  203    HB   ILE  26           HB       ILE  26   4.034  -1.861   1.372
  204   1HG1  ILE  26          HG12      ILE  26   3.380  -0.067   3.019
  205   2HG1  ILE  26          HG11      ILE  26   2.394  -0.147   1.559
  206   1HG2  ILE  26          HG21      ILE  26   2.641  -3.921   1.405
  207   2HG2  ILE  26          HG22      ILE  26   1.853  -2.553   0.619
  208   3HG2  ILE  26          HG23      ILE  26   1.388  -3.017   2.256
  209   1HD1  ILE  26          HD11      ILE  26   0.690  -1.378   2.802
  210   2HD1  ILE  26          HD12      ILE  26   1.022   0.203   3.509
  211   3HD1  ILE  26          HD13      ILE  26   1.679  -1.252   4.256
  212    H    GLU  27           HN       GLU  27   2.238  -3.172   5.195
  213    HA   GLU  27           HA       GLU  27   2.259  -6.054   4.530
  214   1HB   GLU  27          HB2       GLU  27   2.388  -4.703   7.030
  215   2HB   GLU  27          HB1       GLU  27   0.825  -5.494   6.945
  216   1HG   GLU  27          HG2       GLU  27   1.852  -7.622   6.517
  217   2HG   GLU  27          HG1       GLU  27   3.446  -6.880   6.464
  218    H    TYR  28           HN       TYR  28   0.112  -7.156   4.883
  219    HA   TYR  28           HA       TYR  28  -2.187  -5.455   5.083
  220   1HB   TYR  28          HB2       TYR  28  -3.303  -6.170   3.031
  221   2HB   TYR  28          HB1       TYR  28  -1.834  -5.266   2.668
  222    HD1  TYR  28           HD1      TYR  28  -3.430  -8.575   2.616
  223    HD2  TYR  28           HD2      TYR  28   0.030  -6.332   1.561
  224    HE1  TYR  28           HE1      TYR  28  -2.669 -10.428   1.192
  225    HE2  TYR  28           HE2      TYR  28   0.799  -8.182   0.133
  226    HH   TYR  28           HH       TYR  28  -1.176 -10.759  -0.765
  227    H    LYS  29           HN       LYS  29  -4.063  -6.540   5.562
  228    HA   LYS  29           HA       LYS  29  -3.727  -9.408   6.142
  229   1HB   LYS  29          HB2       LYS  29  -5.627  -7.900   7.823
  230   2HB   LYS  29          HB1       LYS  29  -4.469  -9.138   8.266
  231   1HG   LYS  29          HG2       LYS  29  -3.773  -6.262   7.742
  232   2HG   LYS  29          HG1       LYS  29  -4.025  -6.966   9.336
  233   1HD   LYS  29          HD2       LYS  29  -1.979  -8.041   7.414
  234   2HD   LYS  29          HD1       LYS  29  -1.615  -6.725   8.534
  235   1HE   LYS  29          HE2       LYS  29  -2.169  -8.133  10.409
  236   2HE   LYS  29          HE1       LYS  29  -2.650  -9.442   9.330
  237   1HZ   LYS  29          HZ1       LYS  29  -0.375  -9.605   8.557
  238   2HZ   LYS  29          HZ2       LYS  29  -0.425  -9.767  10.241
  239   3HZ   LYS  29          HZ3       LYS  29   0.095  -8.309   9.544
  240    H    MET  30           HN       MET  30  -5.080 -10.541   4.884
  241    HA   MET  30           HA       MET  30  -7.258  -9.201   3.553
  242   1HB   MET  30          HB2       MET  30  -6.477 -12.130   3.491
  243   2HB   MET  30          HB1       MET  30  -7.590 -11.328   2.395
  244   1HG   MET  30          HG2       MET  30  -5.739  -9.898   1.614
  245   2HG   MET  30          HG1       MET  30  -4.641 -10.816   2.642
  246   1HE   MET  30          HE1       MET  30  -5.023 -14.423   1.039
  247   2HE   MET  30          HE2       MET  30  -6.047 -13.742   2.305
  248   3HE   MET  30          HE3       MET  30  -4.300 -13.501   2.358
  249    H    ARG  31           HN       ARG  31  -9.048  -8.856   4.553
  250    HA   ARG  31           HA       ARG  31  -9.997 -10.601   6.709
  251   1HB   ARG  31          HB2       ARG  31 -10.896  -7.847   5.827
  252   2HB   ARG  31          HB1       ARG  31 -11.471  -8.708   7.246
  253   1HG   ARG  31          HG2       ARG  31  -9.414  -8.476   8.360
  254   2HG   ARG  31          HG1       ARG  31  -8.568  -8.028   6.879
  255   1HD   ARG  31          HD2       ARG  31  -8.883  -6.069   8.256
  256   2HD   ARG  31          HD1       ARG  31  -9.870  -5.934   6.802
  257    HE   ARG  31           HE       ARG  31 -11.526  -7.022   8.698
  258   1HH1  ARG  31          HH11      ARG  31  -9.608  -4.095   8.440
  259   2HH1  ARG  31          HH12      ARG  31 -10.699  -3.158   9.415
  260   1HH2  ARG  31          HH21      ARG  31 -12.948  -5.802   9.974
  261   2HH2  ARG  31          HH22      ARG  31 -12.604  -4.122  10.284
  262    H    ASN  32           HN       ASN  32 -12.442 -10.839   6.773
  263    HA   ASN  32           HA       ASN  32 -14.409 -11.530   5.854
  264   1HB   ASN  32          HB2       ASN  32 -14.182  -9.133   4.922
  265   2HB   ASN  32          HB1       ASN  32 -13.698  -9.899   3.415
  266   1HD2  ASN  32          HD21      ASN  32 -16.258  -9.206   5.577
  267   2HD2  ASN  32          HD22      ASN  32 -17.559  -9.777   4.584
  268    H    ASN  33           HN       ASN  33 -12.587 -13.420   5.679
  269    HA   ASN  33           HA       ASN  33 -12.032 -15.367   4.625
  270   1HB   ASN  33          HB2       ASN  33 -14.366 -15.411   3.820
  271   2HB   ASN  33          HB1       ASN  33 -13.907 -14.428   2.435
  272   1HD2  ASN  33          HD21      ASN  33 -14.368 -15.832   0.846
  273   2HD2  ASN  33          HD22      ASN  33 -13.563 -17.346   0.617
  274    H    GLY  34           HN       GLY  34 -11.261 -12.363   3.586
  275   1HA   GLY  34          HA2       GLY  34  -9.042 -12.007   2.687
  276   2HA   GLY  34          HA1       GLY  34  -9.293 -13.403   1.652
  277    H    LYS  35           HN       LYS  35 -12.004 -11.375   2.000
  278    HA   LYS  35           HA       LYS  35 -11.774 -10.558  -0.783
  279   1HB   LYS  35          HB2       LYS  35 -14.031 -10.210   1.197
  280   2HB   LYS  35          HB1       LYS  35 -14.100  -9.770  -0.504
  281   1HG   LYS  35          HG2       LYS  35 -13.728 -12.533   0.606
  282   2HG   LYS  35          HG1       LYS  35 -15.203 -11.885  -0.118
  283   1HD   LYS  35          HD2       LYS  35 -13.848 -11.484  -2.217
  284   2HD   LYS  35          HD1       LYS  35 -12.566 -12.439  -1.468
  285   1HE   LYS  35          HE2       LYS  35 -13.877 -13.843  -2.928
  286   2HE   LYS  35          HE1       LYS  35 -14.136 -14.324  -1.252
  287   1HZ   LYS  35          HZ1       LYS  35 -16.217 -14.266  -2.459
  288   2HZ   LYS  35          HZ2       LYS  35 -15.970 -12.647  -2.889
  289   3HZ   LYS  35          HZ3       LYS  35 -16.212 -13.065  -1.267
  290    H    VAL  36           HN       VAL  36 -11.136  -9.287   2.270
  291    HA   VAL  36           HA       VAL  36 -10.963  -6.582   1.116
  292    HB   VAL  36           HB       VAL  36 -11.738  -7.386   3.925
  293   1HG1  VAL  36          HG11      VAL  36 -10.146  -5.529   4.041
  294   2HG1  VAL  36          HG12      VAL  36 -11.772  -4.995   4.471
  295   3HG1  VAL  36          HG13      VAL  36 -11.113  -4.619   2.878
  296   1HG2  VAL  36          HG21      VAL  36 -13.559  -7.388   2.314
  297   2HG2  VAL  36          HG22      VAL  36 -13.156  -5.739   1.832
  298   3HG2  VAL  36          HG23      VAL  36 -13.747  -6.062   3.462
  299    H    MET  37           HN       MET  37  -8.918  -5.914   0.961
  300    HA   MET  37           HA       MET  37  -6.884  -7.190   2.626
  301   1HB   MET  37          HB2       MET  37  -6.772  -5.491   0.146
  302   2HB   MET  37          HB1       MET  37  -5.341  -5.716   1.143
  303   1HG   MET  37          HG2       MET  37  -5.584  -8.164   0.837
  304   2HG   MET  37          HG1       MET  37  -6.915  -7.847  -0.278
  305   1HE   MET  37          HE1       MET  37  -5.582  -9.308  -2.099
  306   2HE   MET  37          HE2       MET  37  -4.250  -9.536  -0.966
  307   3HE   MET  37          HE3       MET  37  -3.930  -8.957  -2.602
  308    H    ASP  38           HN       ASP  38  -6.630  -6.312   4.538
  309    HA   ASP  38           HA       ASP  38  -6.923  -3.448   4.902
  310   1HB   ASP  38          HB2       ASP  38  -7.591  -5.342   6.572
  311   2HB   ASP  38          HB1       ASP  38  -5.879  -5.377   6.967
  312    H    LEU  39           HN       LEU  39  -5.310  -2.290   4.132
  313    HA   LEU  39           HA       LEU  39  -2.653  -3.369   3.921
  314   1HB   LEU  39          HB2       LEU  39  -3.939  -0.772   3.128
  315   2HB   LEU  39          HB1       LEU  39  -2.192  -0.923   3.128
  316    HG   LEU  39           HG       LEU  39  -2.214  -2.531   1.416
  317   1HD1  LEU  39          HD11      LEU  39  -4.228  -3.515   0.473
  318   2HD1  LEU  39          HD12      LEU  39  -5.202  -2.679   1.683
  319   3HD1  LEU  39          HD13      LEU  39  -4.054  -3.921   2.182
  320   1HD2  LEU  39          HD21      LEU  39  -4.317  -0.479   0.782
  321   2HD2  LEU  39          HD22      LEU  39  -3.374  -1.392  -0.396
  322   3HD2  LEU  39          HD23      LEU  39  -2.574  -0.240   0.675
  323    H    VAL  40           HN       VAL  40  -1.250  -3.355   5.514
  324    HA   VAL  40           HA       VAL  40  -1.775  -1.491   7.729
  325    HB   VAL  40           HB       VAL  40  -0.847  -4.371   7.821
  326   1HG1  VAL  40          HG11      VAL  40  -0.779  -4.132  10.245
  327   2HG1  VAL  40          HG12      VAL  40  -1.137  -2.413  10.091
  328   3HG1  VAL  40          HG13      VAL  40   0.380  -3.058   9.463
  329   1HG2  VAL  40          HG21      VAL  40  -3.248  -4.096   7.521
  330   2HG2  VAL  40          HG22      VAL  40  -3.311  -3.029   8.924
  331   3HG2  VAL  40          HG23      VAL  40  -2.881  -4.731   9.126
  332    H    HIS  41           HN       HIS  41  -0.166  -0.077   7.929
  333    HA   HIS  41           HA       HIS  41   1.872   0.638   8.564
  334   1HB   HIS  41          HB2       HIS  41   2.061  -1.620   9.675
  335   2HB   HIS  41          HB1       HIS  41   2.856  -2.195   8.222
  336    HD1  HIS  41           HD1      HIS  41   4.546  -2.616  10.469
  337    HD2  HIS  41           HD2      HIS  41   4.402   1.138   8.675
  338    HE1  HIS  41           HE1      HIS  41   6.651  -1.439  11.180
  339    HE2  HIS  41           HE2      HIS  41   6.399   0.905  10.310
  340    H    THR  42           HN       THR  42   2.070   1.904   6.769
  341    HA   THR  42           HA       THR  42   3.822   0.923   4.648
  342    HB   THR  42           HB       THR  42   2.079   2.585   4.033
  343    HG1  THR  42           HG1      THR  42   3.526   3.143   2.619
  344   1HG2  THR  42          HG21      THR  42   3.577   4.398   5.927
  345   2HG2  THR  42          HG22      THR  42   1.917   3.823   6.114
  346   3HG2  THR  42          HG23      THR  42   2.329   4.923   4.797
  347    H    TYR  43           HN       TYR  43   6.017   1.309   4.652
  348    HA   TYR  43           HA       TYR  43   7.037   3.223   6.604
  349   1HB   TYR  43          HB2       TYR  43   7.078   0.744   7.443
  350   2HB   TYR  43          HB1       TYR  43   8.455   0.596   6.351
  351    HD1  TYR  43           HD1      TYR  43   7.225   3.103   8.821
  352    HD2  TYR  43           HD2      TYR  43  10.514   0.810   7.402
  353    HE1  TYR  43           HE1      TYR  43   8.646   4.105  10.543
  354    HE2  TYR  43           HE2      TYR  43  11.955   1.805   9.131
  355    HH   TYR  43           HH       TYR  43  10.760   3.473  11.784
  356    H    VAL  44           HN       VAL  44   9.029   4.096   6.098
  357    HA   VAL  44           HA       VAL  44  10.519   3.231   3.807
  358    HB   VAL  44           HB       VAL  44   8.608   4.471   2.763
  359   1HG1  VAL  44          HG11      VAL  44   8.199   6.160   4.433
  360   2HG1  VAL  44          HG12      VAL  44   8.580   6.925   2.890
  361   3HG1  VAL  44          HG13      VAL  44   9.798   6.856   4.166
  362   1HG2  VAL  44          HG21      VAL  44  10.686   4.265   1.561
  363   2HG2  VAL  44          HG22      VAL  44  11.345   5.673   2.393
  364   3HG2  VAL  44          HG23      VAL  44   9.995   5.863   1.276
  365    HA   PRO  45           HA       PRO  45  13.562   5.241   6.374
  366   1HB   PRO  45          HB2       PRO  45  15.647   5.243   4.648
  367   2HB   PRO  45          HB1       PRO  45  15.077   3.774   5.450
  368   1HG   PRO  45          HG2       PRO  45  14.482   4.771   2.686
  369   2HG   PRO  45          HG1       PRO  45  14.930   3.135   3.210
  370   1HD   PRO  45          HD2       PRO  45  12.374   3.826   2.711
  371   2HD   PRO  45          HD1       PRO  45  12.803   2.665   3.983
  372    H    SER  46           HN       SER  46  15.090   7.100   6.294
  373    HA   SER  46           HA       SER  46  13.752   9.438   5.535
  374   1HB   SER  46          HB2       SER  46  16.672   9.095   6.247
  375   2HB   SER  46          HB1       SER  46  15.763  10.606   6.292
  376    HG   SER  46           HG       SER  46  15.388   8.293   7.902
  377    H    PHE  47           HN       PHE  47  15.570   7.373   3.609
  378    HA   PHE  47           HA       PHE  47  16.718   9.257   1.811
  379   1HB   PHE  47          HB2       PHE  47  16.007   6.346   1.382
  380   2HB   PHE  47          HB1       PHE  47  17.011   7.315   0.311
  381    HD1  PHE  47           HD1      PHE  47  16.864   5.433   3.402
  382    HD2  PHE  47           HD2      PHE  47  19.256   8.026   1.023
  383    HE1  PHE  47           HE1      PHE  47  18.850   4.793   4.705
  384    HE2  PHE  47           HE2      PHE  47  21.247   7.389   2.320
  385    HZ   PHE  47           HZ       PHE  47  21.057   5.745   4.133
  386    H    LYS  48           HN       LYS  48  13.566   7.786   2.126
  387    HA   LYS  48           HA       LYS  48  12.704   9.113  -0.342
  388   1HB   LYS  48          HB2       LYS  48  12.266   6.187   0.291
  389   2HB   LYS  48          HB1       LYS  48  11.452   7.056  -1.001
  390   1HG   LYS  48          HG2       LYS  48  13.535   7.436  -2.137
  391   2HG   LYS  48          HG1       LYS  48  14.439   6.730  -0.795
  392   1HD   LYS  48          HD2       LYS  48  12.362   5.199  -2.348
  393   2HD   LYS  48          HD1       LYS  48  14.063   5.242  -2.815
  394   1HE   LYS  48          HE2       LYS  48  13.124   4.392  -0.084
  395   2HE   LYS  48          HE1       LYS  48  13.348   3.262  -1.417
  396   1HZ   LYS  48          HZ1       LYS  48  15.651   3.759  -1.504
  397   2HZ   LYS  48          HZ2       LYS  48  15.282   3.453   0.125
  398   3HZ   LYS  48          HZ3       LYS  48  15.494   5.046  -0.418
  399    H    ARG  49           HN       ARG  49  12.208   9.826   2.389
  400    HA   ARG  49           HA       ARG  49   9.748   8.877   3.387
  401   1HB   ARG  49          HB2       ARG  49  11.105  11.552   3.781
  402   2HB   ARG  49          HB1       ARG  49   9.731  10.982   4.719
  403   1HG   ARG  49          HG2       ARG  49  12.359   9.531   4.573
  404   2HG   ARG  49          HG1       ARG  49  11.964  10.725   5.811
  405   1HD   ARG  49          HD2       ARG  49  10.157   8.395   5.304
  406   2HD   ARG  49          HD1       ARG  49  11.593   8.216   6.312
  407    HE   ARG  49           HE       ARG  49   9.637  10.322   6.933
  408   1HH1  ARG  49          HH11      ARG  49  11.145   7.268   7.744
  409   2HH1  ARG  49          HH12      ARG  49  10.730   7.356   9.428
  410   1HH2  ARG  49          HH21      ARG  49   9.069  10.438   9.166
  411   2HH2  ARG  49          HH22      ARG  49   9.527   9.136  10.225
  412    H    GLY  50           HN       GLY  50  10.412  12.022   1.858
  413   1HA   GLY  50          HA2       GLY  50   7.585  12.218   1.121
  414   2HA   GLY  50          HA1       GLY  50   8.765  13.521   1.060
  415    H    LEU  51           HN       LEU  51   9.365  10.346  -0.191
  416    HA   LEU  51           HA       LEU  51   9.794  11.450  -2.836
  417   1HB   LEU  51          HB2       LEU  51  11.124   9.583  -1.412
  418   2HB   LEU  51          HB1       LEU  51  10.048   8.541  -2.319
  419    HG   LEU  51           HG       LEU  51  12.154   8.690  -3.465
  420   1HD1  LEU  51          HD11      LEU  51  10.217   8.545  -4.895
  421   2HD1  LEU  51          HD12      LEU  51  11.437   9.574  -5.647
  422   3HD1  LEU  51          HD13      LEU  51  10.029  10.299  -4.866
  423   1HD2  LEU  51          HD21      LEU  51  13.022  10.823  -4.306
  424   2HD2  LEU  51          HD22      LEU  51  12.955  10.785  -2.545
  425   3HD2  LEU  51          HD23      LEU  51  11.734  11.676  -3.455
  426    H    GLY  52           HN       GLY  52   7.599   9.260  -1.150
  427   1HA   GLY  52          HA2       GLY  52   5.328   9.089  -2.137
  428   2HA   GLY  52          HA1       GLY  52   6.129   8.927  -3.695
  429    H    LEU  53           HN       LEU  53   8.225   7.275  -2.240
  430    HA   LEU  53           HA       LEU  53   7.474   4.844  -3.293
  431   1HB   LEU  53          HB2       LEU  53   9.776   5.601  -2.678
  432   2HB   LEU  53          HB1       LEU  53   9.392   5.270  -1.001
  433    HG   LEU  53           HG       LEU  53  10.751   3.527  -2.329
  434   1HD1  LEU  53          HD11      LEU  53   9.852   3.121  -0.104
  435   2HD1  LEU  53          HD12      LEU  53   9.730   1.680  -1.112
  436   3HD1  LEU  53          HD13      LEU  53   8.299   2.666  -0.805
  437   1HD2  LEU  53          HD21      LEU  53   7.987   2.825  -3.305
  438   2HD2  LEU  53          HD22      LEU  53   9.468   1.902  -3.575
  439   3HD2  LEU  53          HD23      LEU  53   9.282   3.500  -4.298
  440    H    ALA  54           HN       ALA  54   7.167   5.921   0.086
  441    HA   ALA  54           HA       ALA  54   6.282   3.544   1.221
  442   1HB   ALA  54          HB1       ALA  54   5.397   6.344   1.919
  443   2HB   ALA  54          HB2       ALA  54   6.862   5.555   2.506
  444   3HB   ALA  54          HB3       ALA  54   5.278   4.924   2.959
  445    H    SER  55           HN       SER  55   4.456   6.087  -0.381
  446    HA   SER  55           HA       SER  55   1.915   4.893  -0.121
  447   1HB   SER  55          HB2       SER  55   2.911   6.931  -2.123
  448   2HB   SER  55          HB1       SER  55   1.218   6.567  -1.787
  449    HG   SER  55           HG       SER  55   2.770   8.283  -0.528
  450    H    HIS  56           HN       HIS  56   4.471   4.591  -2.516
  451    HA   HIS  56           HA       HIS  56   2.973   3.289  -4.523
  452   1HB   HIS  56          HB2       HIS  56   5.898   3.311  -3.846
  453   2HB   HIS  56          HB1       HIS  56   5.281   2.240  -5.098
  454    HD1  HIS  56           HD1      HIS  56   4.539   3.290  -7.314
  455    HD2  HIS  56           HD2      HIS  56   5.888   6.046  -4.504
  456    HE1  HIS  56           HE1      HIS  56   4.871   5.447  -8.574
  457    HE2  HIS  56           HE2      HIS  56   5.860   7.043  -6.886
  458    H    LEU  57           HN       LEU  57   4.505   2.158  -1.603
  459    HA   LEU  57           HA       LEU  57   4.283  -0.614  -2.082
  460   1HB   LEU  57          HB2       LEU  57   4.205   0.875   0.545
  461   2HB   LEU  57          HB1       LEU  57   4.532  -0.836   0.344
  462    HG   LEU  57           HG       LEU  57   6.286   1.305  -0.849
  463   1HD1  LEU  57          HD11      LEU  57   7.780   0.953   1.045
  464   2HD1  LEU  57          HD12      LEU  57   6.595  -0.120   1.787
  465   3HD1  LEU  57          HD13      LEU  57   6.222   1.591   1.570
  466   1HD2  LEU  57          HD21      LEU  57   6.475  -0.909  -1.853
  467   2HD2  LEU  57          HD22      LEU  57   6.731  -1.620  -0.258
  468   3HD2  LEU  57          HD23      LEU  57   7.924  -0.509  -0.932
  469    H    CYS  58           HN       CYS  58   2.167   1.714  -0.465
  470    HA   CYS  58           HA       CYS  58   0.049  -0.023   0.147
  471   1HB   CYS  58          HB2       CYS  58   0.230   2.255   1.055
  472   2HB   CYS  58          HB1       CYS  58  -0.035   2.920  -0.557
  473    HG   CYS  58           HG       CYS  58  -2.604   1.178  -0.317
  474    H    VAL  59           HN       VAL  59   0.800   1.813  -2.773
  475    HA   VAL  59           HA       VAL  59  -1.535   1.228  -4.225
  476    HB   VAL  59           HB       VAL  59   1.256   1.893  -5.160
  477   1HG1  VAL  59          HG11      VAL  59  -1.269   1.737  -6.807
  478   2HG1  VAL  59          HG12      VAL  59   0.112   0.646  -6.926
  479   3HG1  VAL  59          HG13      VAL  59   0.289   2.346  -7.361
  480   1HG2  VAL  59          HG21      VAL  59   0.123   3.648  -3.923
  481   2HG2  VAL  59          HG22      VAL  59  -1.275   3.517  -4.993
  482   3HG2  VAL  59          HG23      VAL  59   0.272   4.081  -5.626
  483    H    ALA  60           HN       ALA  60   1.471  -0.558  -3.811
  484    HA   ALA  60           HA       ALA  60   1.127  -2.424  -5.862
  485   1HB   ALA  60          HB1       ALA  60   2.735  -3.794  -4.691
  486   2HB   ALA  60          HB2       ALA  60   2.471  -2.890  -3.199
  487   3HB   ALA  60          HB3       ALA  60   3.218  -2.101  -4.588
  488    H    ALA  61           HN       ALA  61  -0.181  -2.382  -2.546
  489    HA   ALA  61           HA       ALA  61  -1.375  -4.985  -2.803
  490   1HB   ALA  61          HB1       ALA  61  -2.109  -2.723  -0.940
  491   2HB   ALA  61          HB2       ALA  61  -0.907  -3.973  -0.616
  492   3HB   ALA  61          HB3       ALA  61  -2.607  -4.408  -0.788
  493    H    PHE  62           HN       PHE  62  -2.412  -1.676  -3.475
  494    HA   PHE  62           HA       PHE  62  -5.094  -2.166  -4.090
  495   1HB   PHE  62          HB2       PHE  62  -3.127  -0.171  -5.199
  496   2HB   PHE  62          HB1       PHE  62  -4.787  -0.251  -5.769
  497    HD1  PHE  62           HD1      PHE  62  -6.332  -0.635  -3.365
  498    HD2  PHE  62           HD2      PHE  62  -2.886   1.777  -4.003
  499    HE1  PHE  62           HE1      PHE  62  -7.061   0.885  -1.568
  500    HE2  PHE  62           HE2      PHE  62  -3.604   3.294  -2.202
  501    HZ   PHE  62           HZ       PHE  62  -5.694   2.843  -0.980
  502    H    GLU  63           HN       GLU  63  -2.214  -2.322  -6.156
  503    HA   GLU  63           HA       GLU  63  -3.419  -3.021  -8.563
  504   1HB   GLU  63          HB2       GLU  63  -0.798  -4.158  -7.576
  505   2HB   GLU  63          HB1       GLU  63  -1.288  -3.904  -9.244
  506   1HG   GLU  63          HG2       GLU  63  -1.272  -1.460  -8.806
  507   2HG   GLU  63          HG1       GLU  63  -0.629  -1.794  -7.203
  508    H    HIS  64           HN       HIS  64  -2.549  -4.975  -5.801
  509    HA   HIS  64           HA       HIS  64  -2.980  -7.484  -7.113
  510   1HB   HIS  64          HB2       HIS  64  -2.307  -6.594  -4.352
  511   2HB   HIS  64          HB1       HIS  64  -2.902  -8.227  -4.572
  512    HD1  HIS  64           HD1      HIS  64  -0.001  -6.012  -5.478
  513    HD2  HIS  64           HD2      HIS  64  -1.153  -9.995  -5.811
  514    HE1  HIS  64           HE1      HIS  64   2.034  -7.240  -6.292
  515    HE2  HIS  64           HE2      HIS  64   1.225  -9.580  -6.746
  516    H    ALA  65           HN       ALA  65  -4.757  -5.577  -4.728
  517    HA   ALA  65           HA       ALA  65  -6.896  -7.381  -4.445
  518   1HB   ALA  65          HB1       ALA  65  -6.464  -5.605  -2.842
  519   2HB   ALA  65          HB2       ALA  65  -8.108  -5.498  -3.473
  520   3HB   ALA  65          HB3       ALA  65  -6.864  -4.395  -4.060
  521    H    SER  66           HN       SER  66  -6.682  -4.369  -6.357
  522    HA   SER  66           HA       SER  66  -9.176  -4.502  -7.536
  523   1HB   SER  66          HB2       SER  66  -7.585  -2.579  -7.681
  524   2HB   SER  66          HB1       SER  66  -6.671  -3.476  -8.892
  525    HG   SER  66           HG       SER  66  -9.443  -2.918  -9.172
  526    H    SER  67           HN       SER  67  -6.199  -6.104  -8.614
  527    HA   SER  67           HA       SER  67  -7.335  -7.022 -11.071
  528   1HB   SER  67          HB2       SER  67  -4.884  -8.018  -9.599
  529   2HB   SER  67          HB1       SER  67  -5.281  -8.330 -11.290
  530    HG   SER  67           HG       SER  67  -4.249  -6.058 -10.083
  531    H    HIS  68           HN       HIS  68  -7.242  -8.229  -7.813
  532    HA   HIS  68           HA       HIS  68  -8.154 -10.879  -8.688
  533   1HB   HIS  68          HB2       HIS  68  -6.221 -10.522  -7.023
  534   2HB   HIS  68          HB1       HIS  68  -7.468 -10.083  -5.865
  535    HD1  HIS  68           HD1      HIS  68  -6.422 -13.017  -8.022
  536    HD2  HIS  68           HD2      HIS  68  -8.606 -12.208  -4.578
  537    HE1  HIS  68           HE1      HIS  68  -6.972 -15.259  -7.023
  538    HE2  HIS  68           HE2      HIS  68  -8.053 -14.726  -4.811
  539    H    SER  69           HN       SER  69  -9.581  -8.094  -8.208
  540    HA   SER  69           HA       SER  69 -11.672  -7.386  -7.697
  541   1HB   SER  69          HB2       SER  69 -12.297 -10.344  -7.516
  542   2HB   SER  69          HB1       SER  69 -13.486  -9.045  -7.629
  543    HG   SER  69           HG       SER  69 -12.306 -10.291  -9.615
  544    H    ILE  70           HN       ILE  70  -9.753  -7.557  -5.666
  545    HA   ILE  70           HA       ILE  70 -11.283  -8.309  -3.283
  546    HB   ILE  70           HB       ILE  70  -8.331  -7.644  -3.589
  547   1HG1  ILE  70          HG12      ILE  70  -9.768 -10.266  -3.086
  548   2HG1  ILE  70          HG11      ILE  70  -8.927  -9.806  -4.563
  549   1HG2  ILE  70          HG21      ILE  70  -9.846  -8.594  -1.155
  550   2HG2  ILE  70          HG22      ILE  70  -9.167  -6.983  -1.392
  551   3HG2  ILE  70          HG23      ILE  70  -8.098  -8.380  -1.273
  552   1HD1  ILE  70          HD11      ILE  70  -7.600 -11.336  -3.222
  553   2HD1  ILE  70          HD12      ILE  70  -7.656 -10.210  -1.865
  554   3HD1  ILE  70          HD13      ILE  70  -6.813  -9.762  -3.348
  555    H    SER  71           HN       SER  71 -11.794  -6.817  -1.716
  556    HA   SER  71           HA       SER  71 -11.553  -4.001  -2.449
  557   1HB   SER  71          HB2       SER  71 -13.027  -5.320  -0.148
  558   2HB   SER  71          HB1       SER  71 -13.145  -3.622  -0.613
  559    HG   SER  71           HG       SER  71 -13.978  -4.352  -2.649
  560    H    ILE  72           HN       ILE  72 -10.980  -2.499  -0.491
  561    HA   ILE  72           HA       ILE  72  -8.822  -3.748   1.072
  562    HB   ILE  72           HB       ILE  72  -8.514  -1.485  -0.908
  563   1HG1  ILE  72          HG12      ILE  72  -7.209  -4.163  -0.511
  564   2HG1  ILE  72          HG11      ILE  72  -8.076  -3.569  -1.925
  565   1HG2  ILE  72          HG21      ILE  72  -6.256  -1.081  -0.091
  566   2HG2  ILE  72          HG22      ILE  72  -6.542  -2.191   1.253
  567   3HG2  ILE  72          HG23      ILE  72  -7.470  -0.693   1.129
  568   1HD1  ILE  72          HD11      ILE  72  -5.392  -2.600  -0.960
  569   2HD1  ILE  72          HD12      ILE  72  -6.264  -2.002  -2.373
  570   3HD1  ILE  72          HD13      ILE  72  -5.692  -3.669  -2.332
  571    H    ILE  73           HN       ILE  73  -8.069  -2.506   2.822
  572    HA   ILE  73           HA       ILE  73  -9.501  -0.061   3.619
  573    HB   ILE  73           HB       ILE  73  -9.141  -2.583   5.276
  574   1HG1  ILE  73          HG12      ILE  73 -11.243  -2.313   3.953
  575   2HG1  ILE  73          HG11      ILE  73 -11.503  -2.444   5.688
  576   1HG2  ILE  73          HG21      ILE  73  -9.760   0.185   6.303
  577   2HG2  ILE  73          HG22      ILE  73  -8.292  -0.749   6.607
  578   3HG2  ILE  73          HG23      ILE  73  -9.842  -1.300   7.252
  579   1HD1  ILE  73          HD11      ILE  73 -11.812  -0.034   5.829
  580   2HD1  ILE  73          HD12      ILE  73 -12.945  -0.766   4.692
  581   3HD1  ILE  73          HD13      ILE  73 -11.533   0.106   4.093
  582    HA   PRO  74           HA       PRO  74  -5.059   0.391   4.210
  583   1HB   PRO  74          HB2       PRO  74  -5.109   3.136   3.729
  584   2HB   PRO  74          HB1       PRO  74  -4.892   1.867   2.518
  585   1HG   PRO  74          HG2       PRO  74  -7.109   3.631   2.793
  586   2HG   PRO  74          HG1       PRO  74  -6.951   2.270   1.671
  587   1HD   PRO  74          HD2       PRO  74  -8.363   2.420   4.281
  588   2HD   PRO  74          HD1       PRO  74  -8.699   1.396   2.867
  589    H    SER  75           HN       SER  75  -4.771   0.051   6.408
  590    HA   SER  75           HA       SER  75  -5.271   2.120   8.347
  591   1HB   SER  75          HB2       SER  75  -3.440  -0.296   8.459
  592   2HB   SER  75          HB1       SER  75  -3.890   0.708   9.838
  593    HG   SER  75           HG       SER  75  -5.360  -1.225   8.469
  594    H    CYS  76           HN       CYS  76  -2.953   1.334   6.037
  595    HA   CYS  76           HA       CYS  76  -0.818   3.044   6.675
  596   1HB   CYS  76          HB2       CYS  76  -1.745   2.325   3.902
  597   2HB   CYS  76          HB1       CYS  76  -0.119   2.747   4.427
  598    HG   CYS  76           HG       CYS  76   0.621   0.411   5.201
  599    H    SER  77           HN       SER  77  -3.612   4.150   6.882
  600    HA   SER  77           HA       SER  77  -4.477   5.699   4.826
  601   1HB   SER  77          HB2       SER  77  -5.591   7.048   6.705
  602   2HB   SER  77          HB1       SER  77  -5.930   5.320   6.610
  603    HG   SER  77           HG       SER  77  -5.323   5.363   8.628
  604    H    TYR  78           HN       TYR  78  -1.599   6.450   6.604
  605    HA   TYR  78           HA       TYR  78  -1.442   9.201   6.083
  606   1HB   TYR  78          HB2       TYR  78   0.561   8.678   7.028
  607   2HB   TYR  78          HB1       TYR  78   0.487   7.012   6.465
  608    HD1  TYR  78           HD1      TYR  78   1.414  10.466   5.426
  609    HD2  TYR  78           HD2      TYR  78   1.742   6.306   4.592
  610    HE1  TYR  78           HE1      TYR  78   3.117  10.945   3.715
  611    HE2  TYR  78           HE2      TYR  78   3.443   6.765   2.880
  612    HH   TYR  78           HH       TYR  78   4.980   9.786   2.580
  613    H    VAL  79           HN       VAL  79  -0.821   6.396   4.046
  614    HA   VAL  79           HA       VAL  79  -0.238   7.779   1.648
  615    HB   VAL  79           HB       VAL  79  -1.361   4.992   2.023
  616   1HG1  VAL  79          HG11      VAL  79  -0.038   6.258  -0.374
  617   2HG1  VAL  79          HG12      VAL  79  -1.741   5.824  -0.228
  618   3HG1  VAL  79          HG13      VAL  79  -0.508   4.563  -0.236
  619   1HG2  VAL  79          HG21      VAL  79   0.779   5.292   3.153
  620   2HG2  VAL  79          HG22      VAL  79   1.489   5.904   1.659
  621   3HG2  VAL  79          HG23      VAL  79   0.942   4.230   1.755
  622    H    SER  80           HN       SER  80  -3.183   6.219   2.893
  623    HA   SER  80           HA       SER  80  -4.675   6.627   0.531
  624   1HB   SER  80          HB2       SER  80  -6.642   6.018   1.833
  625   2HB   SER  80          HB1       SER  80  -5.293   4.967   2.260
  626    HG   SER  80           HG       SER  80  -6.718   6.149   3.948
  627    H    ASP  81           HN       ASP  81  -4.132   8.622   3.315
  628    HA   ASP  81           HA       ASP  81  -6.265  10.437   2.893
  629   1HB   ASP  81          HB2       ASP  81  -5.269  10.250   5.076
  630   2HB   ASP  81          HB1       ASP  81  -3.679  10.663   4.450
  631    H    THR  82           HN       THR  82  -2.763  10.683   2.151
  632    HA   THR  82           HA       THR  82  -3.292  13.130   0.683
  633    HB   THR  82           HB       THR  82  -1.295  13.120   2.034
  634    HG1  THR  82           HG1      THR  82  -0.348  14.279   0.552
  635   1HG2  THR  82          HG21      THR  82  -0.738  10.759   2.033
  636   2HG2  THR  82          HG22      THR  82   0.646  11.701   1.477
  637   3HG2  THR  82          HG23      THR  82  -0.351  10.826   0.314
  638    H    PHE  83           HN       PHE  83  -2.164   9.849  -0.055
  639    HA   PHE  83           HA       PHE  83  -1.464  10.491  -2.748
  640   1HB   PHE  83          HB2       PHE  83  -0.601   8.634  -1.104
  641   2HB   PHE  83          HB1       PHE  83  -1.889   7.689  -1.836
  642    HD1  PHE  83           HD1      PHE  83  -1.022   6.192  -3.328
  643    HD2  PHE  83           HD2      PHE  83   0.568  10.139  -3.218
  644    HE1  PHE  83           HE1      PHE  83   0.418   5.661  -5.250
  645    HE2  PHE  83           HE2      PHE  83   2.018   9.608  -5.133
  646    HZ   PHE  83           HZ       PHE  83   2.008   7.371  -6.103
  647    H    LEU  84           HN       LEU  84  -4.275   8.937  -1.245
  648    HA   LEU  84           HA       LEU  84  -5.298   7.867  -3.651
  649   1HB   LEU  84          HB2       LEU  84  -6.478   8.427  -0.975
  650   2HB   LEU  84          HB1       LEU  84  -7.534   7.972  -2.300
  651    HG   LEU  84           HG       LEU  84  -5.185   6.342  -1.309
  652   1HD1  LEU  84          HD11      LEU  84  -8.146   5.919  -0.974
  653   2HD1  LEU  84          HD12      LEU  84  -7.017   6.396   0.296
  654   3HD1  LEU  84          HD13      LEU  84  -6.873   4.810  -0.462
  655   1HD2  LEU  84          HD21      LEU  84  -6.094   4.600  -2.768
  656   2HD2  LEU  84          HD22      LEU  84  -5.612   6.031  -3.680
  657   3HD2  LEU  84          HD23      LEU  84  -7.318   5.731  -3.347
  658    HA   PRO  85           HA       PRO  85  -7.827  11.991  -4.067
  659   1HB   PRO  85          HB2       PRO  85  -6.072  13.874  -2.643
  660   2HB   PRO  85          HB1       PRO  85  -7.832  13.758  -2.638
  661   1HG   PRO  85          HG2       PRO  85  -6.334  13.035  -0.522
  662   2HG   PRO  85          HG1       PRO  85  -7.859  12.231  -0.928
  663   1HD   PRO  85          HD2       PRO  85  -5.050  11.304  -1.357
  664   2HD   PRO  85          HD1       PRO  85  -6.507  10.375  -0.939
  665    H    ARG  86           HN       ARG  86  -4.371  11.672  -3.838
  666    HA   ARG  86           HA       ARG  86  -3.728  13.578  -5.870
  667   1HB   ARG  86          HB2       ARG  86  -2.085  13.013  -4.194
  668   2HB   ARG  86          HB1       ARG  86  -2.151  11.311  -4.632
  669   1HG   ARG  86          HG2       ARG  86  -1.124  11.771  -6.758
  670   2HG   ARG  86          HG1       ARG  86  -1.176  13.510  -6.448
  671   1HD   ARG  86          HD2       ARG  86   0.374  13.299  -4.639
  672   2HD   ARG  86          HD1       ARG  86   0.294  11.538  -4.707
  673    HE   ARG  86           HE       ARG  86   1.167  12.275  -7.190
  674   1HH1  ARG  86          HH11      ARG  86   2.259  12.930  -3.928
  675   2HH1  ARG  86          HH12      ARG  86   3.945  12.966  -4.357
  676   1HH2  ARG  86          HH21      ARG  86   3.392  12.322  -7.765
  677   2HH2  ARG  86          HH22      ARG  86   4.583  12.616  -6.530
  678    H    ASN  87           HN       ASN  87  -4.255  10.080  -5.791
  679    HA   ASN  87           HA       ASN  87  -4.819  10.228  -8.646
  680   1HB   ASN  87          HB2       ASN  87  -3.639   8.032  -9.035
  681   2HB   ASN  87          HB1       ASN  87  -2.590   9.416  -8.767
  682   1HD2  ASN  87          HD21      ASN  87  -1.406   9.543  -6.868
  683   2HD2  ASN  87          HD22      ASN  87  -1.144   8.171  -5.854
  684    HA   PRO  88           HA       PRO  88  -8.059   8.010  -6.323
  685   1HB   PRO  88          HB2       PRO  88  -9.929   9.434  -8.027
  686   2HB   PRO  88          HB1       PRO  88  -9.745   9.517  -6.275
  687   1HG   PRO  88          HG2       PRO  88  -9.105  11.574  -7.938
  688   2HG   PRO  88          HG1       PRO  88  -8.299  11.293  -6.384
  689   1HD   PRO  88          HD2       PRO  88  -7.375  10.603  -9.149
  690   2HD   PRO  88          HD1       PRO  88  -6.453  11.267  -7.785
  691    H    SER  89           HN       SER  89  -7.288   6.117  -7.465
  692    HA   SER  89           HA       SER  89  -9.149   5.414  -9.635
  693   1HB   SER  89          HB2       SER  89  -6.773   5.990 -10.444
  694   2HB   SER  89          HB1       SER  89  -6.271   4.502  -9.642
  695    HG   SER  89           HG       SER  89  -6.936   3.490 -11.351
  696    H    TRP  90           HN       TRP  90  -8.258   4.850  -6.602
  697    HA   TRP  90           HA       TRP  90  -8.519   1.919  -6.774
  698   1HB   TRP  90          HB2       TRP  90  -7.414   3.402  -4.399
  699   2HB   TRP  90          HB1       TRP  90  -7.160   1.721  -4.862
  700    HD1  TRP  90           HD1      TRP  90  -5.515   5.000  -4.982
  701    HE1  TRP  90           HE1      TRP  90  -3.495   4.976  -6.559
  702    HE3  TRP  90           HE3      TRP  90  -6.432   0.580  -7.390
  703    HZ2  TRP  90           HZ2      TRP  90  -2.427   3.299  -8.574
  704    HZ3  TRP  90           HZ3      TRP  90  -4.864  -0.159  -9.135
  705    HH2  TRP  90           HH2      TRP  90  -2.902   1.176  -9.713
  706    H    LYS  91           HN       LYS  91 -10.430   4.305  -6.546
  707    HA   LYS  91           HA       LYS  91 -11.673   4.303  -4.041
  708   1HB   LYS  91          HB2       LYS  91 -11.935   6.046  -5.806
  709   2HB   LYS  91          HB1       LYS  91 -12.949   4.930  -6.705
  710   1HG   LYS  91          HG2       LYS  91 -14.606   4.945  -4.971
  711   2HG   LYS  91          HG1       LYS  91 -13.562   5.909  -3.926
  712   1HD   LYS  91          HD2       LYS  91 -13.644   7.743  -5.564
  713   2HD   LYS  91          HD1       LYS  91 -14.724   6.780  -6.574
  714   1HE   LYS  91          HE2       LYS  91 -15.311   7.673  -3.749
  715   2HE   LYS  91          HE1       LYS  91 -15.927   8.443  -5.211
  716   1HZ   LYS  91          HZ1       LYS  91 -16.514   5.692  -4.257
  717   2HZ   LYS  91          HZ2       LYS  91 -16.977   6.287  -5.773
  718   3HZ   LYS  91          HZ3       LYS  91 -17.595   6.999  -4.361
  719    HA   PRO  92           HA       PRO  92 -14.817   1.050  -6.045
  720   1HB   PRO  92          HB2       PRO  92 -12.795  -0.507  -7.560
  721   2HB   PRO  92          HB1       PRO  92 -14.488  -0.180  -7.948
  722   1HG   PRO  92          HG2       PRO  92 -12.556   1.097  -9.237
  723   2HG   PRO  92          HG1       PRO  92 -14.028   1.955  -8.741
  724   1HD   PRO  92          HD2       PRO  92 -11.306   1.991  -7.501
  725   2HD   PRO  92          HD1       PRO  92 -12.448   3.326  -7.752
  726    H    LEU  93           HN       LEU  93 -11.600   0.624  -4.884
  727    HA   LEU  93           HA       LEU  93 -12.085  -2.083  -3.909
  728   1HB   LEU  93          HB2       LEU  93  -9.684  -0.379  -3.323
  729   2HB   LEU  93          HB1       LEU  93  -9.797  -2.129  -3.356
  730    HG   LEU  93           HG       LEU  93 -10.138  -0.446  -5.812
  731   1HD1  LEU  93          HD11      LEU  93  -7.805  -0.903  -6.329
  732   2HD1  LEU  93          HD12      LEU  93  -7.613  -1.727  -4.781
  733   3HD1  LEU  93          HD13      LEU  93  -7.949   0.007  -4.821
  734   1HD2  LEU  93          HD21      LEU  93  -9.466  -3.354  -5.377
  735   2HD2  LEU  93          HD22      LEU  93  -9.583  -2.552  -6.944
  736   3HD2  LEU  93          HD23      LEU  93 -11.016  -2.714  -5.927
  737    H    ILE  94           HN       ILE  94 -11.745   1.187  -2.756
  738    HA   ILE  94           HA       ILE  94 -12.166   0.243  -0.005
  739    HB   ILE  94           HB       ILE  94 -10.663   1.961   0.813
  740   1HG1  ILE  94          HG12      ILE  94  -9.511   2.664  -1.786
  741   2HG1  ILE  94          HG11      ILE  94 -11.144   3.274  -1.550
  742   1HG2  ILE  94          HG21      ILE  94  -9.392   0.378  -1.409
  743   2HG2  ILE  94          HG22      ILE  94  -9.670  -0.176   0.243
  744   3HG2  ILE  94          HG23      ILE  94  -8.538   1.140  -0.067
  745   1HD1  ILE  94          HD11      ILE  94 -10.446   4.324   0.532
  746   2HD1  ILE  94          HD12      ILE  94  -9.463   4.879  -0.825
  747   3HD1  ILE  94          HD13      ILE  94  -8.818   3.685   0.308
  748    H    HIS  95           HN       HIS  95 -12.273   2.755   1.178
  749    HA   HIS  95           HA       HIS  95 -14.839   3.724   0.499
  750   1HB   HIS  95          HB2       HIS  95 -12.644   4.594   2.333
  751   2HB   HIS  95          HB1       HIS  95 -13.977   5.710   2.008
  752    HD1  HIS  95           HD1      HIS  95 -16.447   4.187   2.246
  753    HD2  HIS  95           HD2      HIS  95 -13.141   3.238   4.596
  754    HE1  HIS  95           HE1      HIS  95 -17.357   2.951   4.238
  755    HE2  HIS  95           HE2      HIS  95 -15.365   2.497   5.707
  756    H    SER  96           HN       SER  96 -11.816   5.636   0.439
  757    HA   SER  96           HA       SER  96 -11.858   6.374  -2.236
  758   1HB   SER  96          HB2       SER  96 -14.058   7.424  -1.648
  759   2HB   SER  96          HB1       SER  96 -13.206   8.466  -0.506
  760    HG   SER  96           HG       SER  96 -11.874   8.792  -2.664
  761    H    GLU  97           HN       GLU  97 -11.149   7.172   1.063
  762    HA   GLU  97           HA       GLU  97  -8.545   8.133   0.462
  763   1HB   GLU  97          HB2       GLU  97  -9.988  10.076  -0.094
  764   2HB   GLU  97          HB1       GLU  97 -10.605  10.074   1.553
  765   1HG   GLU  97          HG2       GLU  97  -8.257  10.514   2.318
  766   2HG   GLU  97          HG1       GLU  97  -7.815  10.710   0.622
  767    H    VAL  98           HN       VAL  98  -8.443   9.595   3.055
  768    HA   VAL  98           HA       VAL  98  -7.655   7.433   4.625
  769    HB   VAL  98           HB       VAL  98  -6.651   9.563   4.986
  770   1HG1  VAL  98          HG11      VAL  98  -7.838  11.469   5.949
  771   2HG1  VAL  98          HG12      VAL  98  -9.350  10.563   5.880
  772   3HG1  VAL  98          HG13      VAL  98  -8.514  11.002   4.389
  773   1HG2  VAL  98          HG21      VAL  98  -6.710   8.113   6.926
  774   2HG2  VAL  98          HG22      VAL  98  -8.266   8.789   7.409
  775   3HG2  VAL  98          HG23      VAL  98  -6.822   9.802   7.417
  776    H    PHE  99           HN       PHE  99 -10.586   9.475   5.071
  777    HA   PHE  99           HA       PHE  99 -12.040   7.331   6.254
  778   1HB   PHE  99          HB2       PHE  99 -10.469   8.036   8.111
  779   2HB   PHE  99          HB1       PHE  99 -11.251   9.611   8.088
  780    HD1  PHE  99           HD1      PHE  99 -12.013   5.991   8.485
  781    HD2  PHE  99           HD2      PHE  99 -13.077   9.996   9.444
  782    HE1  PHE  99           HE1      PHE  99 -13.714   5.158  10.055
  783    HE2  PHE  99           HE2      PHE  99 -14.781   9.173  11.014
  784    HZ   PHE  99           HZ       PHE  99 -15.104   6.744  11.315
  785    H    LYS 100           HN       LYS 100 -11.786   9.985   4.503
  786    HA   LYS 100           HA       LYS 100 -14.052  11.511   5.278
  787   1HB   LYS 100          HB2       LYS 100 -13.764  12.649   3.108
  788   2HB   LYS 100          HB1       LYS 100 -12.268  12.561   4.024
  789   1HG   LYS 100          HG2       LYS 100 -11.507  12.012   1.952
  790   2HG   LYS 100          HG1       LYS 100 -11.889  10.406   2.568
  791   1HD   LYS 100          HD2       LYS 100 -12.710  10.667   0.297
  792   2HD   LYS 100          HD1       LYS 100 -14.061  10.495   1.424
  793   1HE   LYS 100          HE2       LYS 100 -14.293  12.963   1.443
  794   2HE   LYS 100          HE1       LYS 100 -13.010  13.063   0.237
  795   1HZ   LYS 100          HZ1       LYS 100 -14.383  11.827  -1.302
  796   2HZ   LYS 100          HZ2       LYS 100 -15.224  13.192  -0.752
  797   3HZ   LYS 100          HZ3       LYS 100 -15.602  11.661  -0.136
  798    H    SER 101           HN       SER 101 -13.848   8.474   4.054
  799    HA   SER 101           HA       SER 101 -15.602   7.041   3.843
  800   1HB   SER 101          HB2       SER 101 -17.056   8.102   5.226
  801   2HB   SER 101          HB1       SER 101 -16.869   9.641   4.387
  802    HG   SER 101           HG       SER 101 -18.860   7.899   4.218
  803    H    SER 102           HN       SER 102 -17.420   6.478   2.285
  804    HA   SER 102           HA       SER 102 -16.855   7.571  -0.393
  805   1HB   SER 102          HB2       SER 102 -17.592   5.203  -1.149
  806   2HB   SER 102          HB1       SER 102 -15.975   5.386  -0.470
  807    HG   SER 102           HG       SER 102 -17.945   3.815   0.375
  808    H    ILE 103           HN       ILE 103 -19.233   5.656   1.403
  809    HA   ILE 103           HA       ILE 103 -21.366   7.352   0.296
  810    HB   ILE 103           HB       ILE 103 -21.488   4.378   0.854
  811   1HG1  ILE 103          HG12      ILE 103 -20.428   4.915  -1.287
  812   2HG1  ILE 103          HG11      ILE 103 -22.004   4.180  -1.544
  813   1HG2  ILE 103          HG21      ILE 103 -23.699   6.210  -0.063
  814   2HG2  ILE 103          HG22      ILE 103 -23.541   5.521   1.554
  815   3HG2  ILE 103          HG23      ILE 103 -23.811   4.464   0.168
  816   1HD1  ILE 103          HD11      ILE 103 -22.964   6.359  -2.014
  817   2HD1  ILE 103          HD12      ILE 103 -21.595   6.033  -3.075
  818   3HD1  ILE 103          HD13      ILE 103 -21.406   7.126  -1.705
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1  14.428  11.318 -13.338
    2   2H    MET   1           HT2      MET   1  12.797  11.717 -13.121
    3   3H    MET   1           HT3      MET   1  13.987  12.902 -12.912
    4    HA   MET   1           HA       MET   1  12.905  13.241 -14.993
    5   1HB   MET   1          HB2       MET   1  15.674  12.059 -15.323
    6   2HB   MET   1          HB1       MET   1  14.852  13.033 -16.532
    7   1HG   MET   1          HG2       MET   1  16.344  14.478 -15.447
    8   2HG   MET   1          HG1       MET   1  14.748  14.872 -14.811
    9   1HE   MET   1          HE1       MET   1  18.271  13.344 -14.071
   10   2HE   MET   1          HE2       MET   1  17.239  11.917 -13.988
   11   3HE   MET   1          HE3       MET   1  18.012  12.532 -12.527
   12    H    ALA   2           HN       ALA   2  14.754  10.202 -15.382
   13    HA   ALA   2           HA       ALA   2  12.933   9.424 -17.503
   14   1HB   ALA   2          HB1       ALA   2  15.347   9.186 -17.816
   15   2HB   ALA   2          HB2       ALA   2  14.518   7.635 -17.943
   16   3HB   ALA   2          HB3       ALA   2  15.406   8.044 -16.474
   17    H    THR   3           HN       THR   3  12.390   9.330 -14.453
   18    HA   THR   3           HA       THR   3  11.383   8.033 -12.904
   19    HB   THR   3           HB       THR   3   9.580   6.500 -13.772
   20    HG1  THR   3           HG1      THR   3  10.957   6.618 -16.000
   21   1HG2  THR   3          HG21      THR   3   9.630   9.319 -14.847
   22   2HG2  THR   3          HG22      THR   3   9.140   8.837 -13.225
   23   3HG2  THR   3          HG23      THR   3   8.187   8.329 -14.619
   24    H    GLU   4           HN       GLU   4  12.911   6.883 -11.874
   25    HA   GLU   4           HA       GLU   4  14.042   4.514 -13.098
   26   1HB   GLU   4          HB2       GLU   4  14.568   5.732 -10.378
   27   2HB   GLU   4          HB1       GLU   4  15.531   4.486 -11.164
   28   1HG   GLU   4          HG2       GLU   4  16.203   6.015 -12.891
   29   2HG   GLU   4          HG1       GLU   4  15.122   7.257 -12.265
   30    HA   PRO   5           HA       PRO   5  10.666   2.209 -11.372
   31   1HB   PRO   5          HB2       PRO   5  11.469  -0.240 -12.246
   32   2HB   PRO   5          HB1       PRO   5  10.702   0.962 -13.292
   33   1HG   PRO   5          HG2       PRO   5  13.606   0.309 -12.967
   34   2HG   PRO   5          HG1       PRO   5  12.686   0.614 -14.453
   35   1HD   PRO   5          HD2       PRO   5  14.249   2.498 -13.324
   36   2HD   PRO   5          HD1       PRO   5  12.743   2.904 -14.170
   37    HA   PRO   6           HA       PRO   6  12.674   0.822  -7.557
   38   1HB   PRO   6          HB2       PRO   6   9.855   0.588  -6.720
   39   2HB   PRO   6          HB1       PRO   6  11.168   1.514  -5.987
   40   1HG   PRO   6          HG2       PRO   6   9.175   2.741  -7.290
   41   2HG   PRO   6          HG1       PRO   6  10.846   3.340  -7.387
   42   1HD   PRO   6          HD2       PRO   6   9.314   1.680  -9.366
   43   2HD   PRO   6          HD1       PRO   6  10.363   3.089  -9.648
   44    H    LYS   7           HN       LYS   7  12.543  -1.236  -6.380
   45    HA   LYS   7           HA       LYS   7  11.417  -3.320  -8.137
   46   1HB   LYS   7          HB2       LYS   7  14.040  -2.905  -7.954
   47   2HB   LYS   7          HB1       LYS   7  13.844  -3.887  -6.507
   48   1HG   LYS   7          HG2       LYS   7  14.487  -5.201  -8.481
   49   2HG   LYS   7          HG1       LYS   7  12.934  -5.699  -7.804
   50   1HD   LYS   7          HD2       LYS   7  12.944  -5.564 -10.290
   51   2HD   LYS   7          HD1       LYS   7  11.738  -4.528  -9.528
   52   1HE   LYS   7          HE2       LYS   7  12.829  -3.331 -11.325
   53   2HE   LYS   7          HE1       LYS   7  13.264  -2.611  -9.776
   54   1HZ   LYS   7          HZ1       LYS   7  14.945  -4.491 -11.346
   55   2HZ   LYS   7          HZ2       LYS   7  15.370  -3.797  -9.856
   56   3HZ   LYS   7          HZ3       LYS   7  15.180  -2.816 -11.227
   57    H    ILE   8           HN       ILE   8   9.585  -3.554  -6.912
   58    HA   ILE   8           HA       ILE   8   9.885  -3.831  -4.051
   59    HB   ILE   8           HB       ILE   8   7.289  -3.958  -5.598
   60   1HG1  ILE   8          HG12      ILE   8   8.623  -1.875  -6.063
   61   2HG1  ILE   8          HG11      ILE   8   7.076  -1.576  -5.269
   62   1HG2  ILE   8          HG21      ILE   8   7.955  -3.319  -2.725
   63   2HG2  ILE   8          HG22      ILE   8   7.156  -4.777  -3.319
   64   3HG2  ILE   8          HG23      ILE   8   6.346  -3.214  -3.444
   65   1HD1  ILE   8          HD11      ILE   8   8.813  -0.188  -4.331
   66   2HD1  ILE   8          HD12      ILE   8   9.787  -1.610  -3.963
   67   3HD1  ILE   8          HD13      ILE   8   8.254  -1.349  -3.129
   68    H    VAL   9           HN       VAL   9   9.804  -5.607  -2.959
   69    HA   VAL   9           HA       VAL   9   9.549  -8.153  -4.401
   70    HB   VAL   9           HB       VAL   9  10.817  -7.564  -1.716
   71   1HG1  VAL   9          HG11      VAL   9  11.030 -10.009  -3.464
   72   2HG1  VAL   9          HG12      VAL   9  10.056  -9.883  -1.998
   73   3HG1  VAL   9          HG13      VAL   9  11.814  -9.761  -1.904
   74   1HG2  VAL   9          HG21      VAL   9  11.990  -6.423  -3.510
   75   2HG2  VAL   9          HG22      VAL   9  12.111  -7.937  -4.406
   76   3HG2  VAL   9          HG23      VAL   9  12.958  -7.751  -2.869
   77    H    TRP  10           HN       TRP  10   8.105  -9.686  -3.698
   78    HA   TRP  10           HA       TRP  10   6.268  -8.837  -1.584
   79   1HB   TRP  10          HB2       TRP  10   5.245  -9.457  -3.708
   80   2HB   TRP  10          HB1       TRP  10   6.031 -11.029  -3.652
   81    HD1  TRP  10           HD1      TRP  10   4.652 -10.059  -0.310
   82    HE1  TRP  10           HE1      TRP  10   2.483 -11.366   0.150
   83    HE3  TRP  10           HE3      TRP  10   3.798 -11.919  -5.001
   84    HZ2  TRP  10           HZ2      TRP  10   0.644 -12.945  -1.280
   85    HZ3  TRP  10           HZ3      TRP  10   1.802 -13.310  -5.367
   86    HH2  TRP  10           HH2      TRP  10   0.258 -13.811  -3.545
   87    H    ASN  11           HN       ASN  11   6.840  -9.471   0.368
   88    HA   ASN  11           HA       ASN  11   8.290 -11.976   0.728
   89   1HB   ASN  11          HB2       ASN  11   8.851  -9.767   1.953
   90   2HB   ASN  11          HB1       ASN  11   7.422 -10.102   2.927
   91   1HD2  ASN  11          HD21      ASN  11   7.442 -11.829   4.356
   92   2HD2  ASN  11          HD22      ASN  11   8.904 -12.641   4.814
   93    H    GLU  12           HN       GLU  12   6.768 -13.490   0.267
   94    HA   GLU  12           HA       GLU  12   4.037 -13.294   0.847
   95   1HB   GLU  12          HB2       GLU  12   5.653 -15.805   0.393
   96   2HB   GLU  12          HB1       GLU  12   3.916 -15.637   0.195
   97   1HG   GLU  12          HG2       GLU  12   4.250 -14.090  -1.643
   98   2HG   GLU  12          HG1       GLU  12   5.996 -14.173  -1.420
   99    H    GLY  13           HN       GLY  13   6.699 -14.591   2.711
  100   1HA   GLY  13          HA2       GLY  13   5.186 -16.083   4.574
  101   2HA   GLY  13          HA1       GLY  13   6.818 -15.481   4.820
  102    H    LYS  14           HN       LYS  14   5.431 -12.712   4.174
  103    HA   LYS  14           HA       LYS  14   4.371 -12.319   6.899
  104   1HB   LYS  14          HB2       LYS  14   6.104 -10.427   5.299
  105   2HB   LYS  14          HB1       LYS  14   5.328 -10.020   6.823
  106   1HG   LYS  14          HG2       LYS  14   7.407 -12.162   6.429
  107   2HG   LYS  14          HG1       LYS  14   7.681 -10.556   7.107
  108   1HD   LYS  14          HD2       LYS  14   6.248 -11.049   8.983
  109   2HD   LYS  14          HD1       LYS  14   5.785 -12.595   8.269
  110   1HE   LYS  14          HE2       LYS  14   7.426 -12.952  10.008
  111   2HE   LYS  14          HE1       LYS  14   8.117 -13.348   8.436
  112   1HZ   LYS  14          HZ1       LYS  14   8.553 -10.793   9.892
  113   2HZ   LYS  14          HZ2       LYS  14   9.265 -11.241   8.419
  114   3HZ   LYS  14          HZ3       LYS  14   9.647 -12.084   9.837
  115    H    ARG  15           HN       ARG  15   3.440 -12.531   3.858
  116    HA   ARG  15           HA       ARG  15   1.788 -11.675   2.534
  117   1HB   ARG  15          HB2       ARG  15   0.771 -10.666   5.198
  118   2HB   ARG  15          HB1       ARG  15  -0.161 -10.676   3.711
  119   1HG   ARG  15          HG2       ARG  15  -0.124 -13.090   3.660
  120   2HG   ARG  15          HG1       ARG  15   0.925 -13.122   5.081
  121   1HD   ARG  15          HD2       ARG  15  -0.781 -12.214   6.467
  122   2HD   ARG  15          HD1       ARG  15  -1.797 -11.837   5.077
  123    HE   ARG  15           HE       ARG  15  -1.370 -14.599   5.086
  124   1HH1  ARG  15          HH11      ARG  15  -2.847 -12.205   7.174
  125   2HH1  ARG  15          HH12      ARG  15  -4.108 -13.276   7.723
  126   1HH2  ARG  15          HH21      ARG  15  -3.028 -16.016   5.825
  127   2HH2  ARG  15          HH22      ARG  15  -4.223 -15.423   6.939
  128    H    ARG  16           HN       ARG  16   4.140 -10.044   2.713
  129    HA   ARG  16           HA       ARG  16   2.959  -7.366   2.556
  130   1HB   ARG  16          HB2       ARG  16   4.448  -6.403   4.063
  131   2HB   ARG  16          HB1       ARG  16   4.016  -7.919   4.823
  132   1HG   ARG  16          HG2       ARG  16   6.103  -8.908   4.153
  133   2HG   ARG  16          HG1       ARG  16   6.538  -7.443   3.260
  134   1HD   ARG  16          HD2       ARG  16   6.382  -6.171   5.386
  135   2HD   ARG  16          HD1       ARG  16   6.100  -7.692   6.232
  136    HE   ARG  16           HE       ARG  16   8.560  -7.377   4.655
  137   1HH1  ARG  16          HH11      ARG  16   6.958  -7.691   7.759
  138   2HH1  ARG  16          HH12      ARG  16   8.435  -7.973   8.636
  139   1HH2  ARG  16          HH21      ARG  16  10.488  -7.704   5.783
  140   2HH2  ARG  16          HH22      ARG  16  10.462  -7.968   7.505
  141    H    PHE  17           HN       PHE  17   4.313  -5.779   1.517
  142    HA   PHE  17           HA       PHE  17   6.197  -6.953  -0.422
  143   1HB   PHE  17          HB2       PHE  17   4.764  -4.294  -0.645
  144   2HB   PHE  17          HB1       PHE  17   5.743  -5.073  -1.879
  145    HD1  PHE  17           HD1      PHE  17   2.517  -4.327  -0.963
  146    HD2  PHE  17           HD2      PHE  17   4.852  -7.573  -2.423
  147    HE1  PHE  17           HE1      PHE  17   0.488  -5.368  -1.897
  148    HE2  PHE  17           HE2      PHE  17   2.832  -8.615  -3.361
  149    HZ   PHE  17           HZ       PHE  17   0.645  -7.510  -3.100
  150    H    GLU  18           HN       GLU  18   8.217  -6.004  -0.652
  151    HA   GLU  18           HA       GLU  18   8.820  -3.675   1.032
  152   1HB   GLU  18          HB2       GLU  18  11.154  -5.270   0.949
  153   2HB   GLU  18          HB1       GLU  18  10.197  -4.822   2.356
  154   1HG   GLU  18          HG2       GLU  18   8.752  -6.811   1.878
  155   2HG   GLU  18          HG1       GLU  18   9.937  -7.281   0.658
  156    H    THR  19           HN       THR  19  10.269  -2.259   0.213
  157    HA   THR  19           HA       THR  19  10.687  -2.219  -2.587
  158    HB   THR  19           HB       THR  19  10.564  -0.160  -1.290
  159    HG1  THR  19           HG1      THR  19  12.088  -0.309  -3.197
  160   1HG2  THR  19          HG21      THR  19  13.082  -1.128   0.046
  161   2HG2  THR  19          HG22      THR  19  11.492  -0.947   0.787
  162   3HG2  THR  19          HG23      THR  19  12.378   0.477   0.245
  163    H    GLU  20           HN       GLU  20  13.018  -1.876  -3.480
  164    HA   GLU  20           HA       GLU  20  14.567  -4.209  -3.139
  165   1HB   GLU  20          HB2       GLU  20  16.219  -3.053  -4.553
  166   2HB   GLU  20          HB1       GLU  20  14.586  -2.889  -5.180
  167   1HG   GLU  20          HG2       GLU  20  15.431  -0.724  -3.409
  168   2HG   GLU  20          HG1       GLU  20  16.324  -0.851  -4.925
  169    H    ASP  21           HN       ASP  21  14.157  -1.698  -1.152
  170    HA   ASP  21           HA       ASP  21  16.872  -1.651  -0.077
  171   1HB   ASP  21          HB2       ASP  21  16.278   0.526  -0.282
  172   2HB   ASP  21          HB1       ASP  21  14.566   0.177  -0.194
  173    H    HIS  22           HN       HIS  22  13.697  -2.775   0.512
  174    HA   HIS  22           HA       HIS  22  12.829  -4.255   1.958
  175   1HB   HIS  22          HB2       HIS  22  15.727  -4.702   2.650
  176   2HB   HIS  22          HB1       HIS  22  14.413  -5.656   3.326
  177    HD1  HIS  22           HD1      HIS  22  13.201  -7.326   1.745
  178    HD2  HIS  22           HD2      HIS  22  16.369  -5.264  -0.021
  179    HE1  HIS  22           HE1      HIS  22  13.684  -8.526  -0.415
  180    HE2  HIS  22           HE2      HIS  22  15.569  -7.249  -1.494
  181    H    GLU  23           HN       GLU  23  14.417  -1.514   3.096
  182    HA   GLU  23           HA       GLU  23  13.632  -1.931   5.862
  183   1HB   GLU  23          HB2       GLU  23  14.695   0.561   4.518
  184   2HB   GLU  23          HB1       GLU  23  14.542   0.299   6.250
  185   1HG   GLU  23          HG2       GLU  23  16.109  -1.731   5.802
  186   2HG   GLU  23          HG1       GLU  23  16.504  -0.855   4.314
  187    H    ALA  24           HN       ALA  24  12.578  -0.319   2.976
  188    HA   ALA  24           HA       ALA  24  10.170   0.678   4.288
  189   1HB   ALA  24          HB1       ALA  24  11.285   2.077   2.587
  190   2HB   ALA  24          HB2       ALA  24   9.628   1.670   2.142
  191   3HB   ALA  24          HB3       ALA  24  10.979   0.824   1.384
  192    H    PHE  25           HN       PHE  25   8.299  -0.431   4.285
  193    HA   PHE  25           HA       PHE  25   7.772  -2.414   2.264
  194   1HB   PHE  25          HB2       PHE  25   7.397  -4.251   3.891
  195   2HB   PHE  25          HB1       PHE  25   9.087  -3.789   3.737
  196    HD1  PHE  25           HD1      PHE  25   6.171  -3.856   5.921
  197    HD2  PHE  25           HD2      PHE  25  10.251  -2.707   5.568
  198    HE1  PHE  25           HE1      PHE  25   6.290  -3.552   8.360
  199    HE2  PHE  25           HE2      PHE  25  10.382  -2.408   8.006
  200    HZ   PHE  25           HZ       PHE  25   8.431  -2.904   9.411
  201    H    ILE  26           HN       ILE  26   5.667  -3.416   2.512
  202    HA   ILE  26           HA       ILE  26   3.791  -1.841   4.128
  203    HB   ILE  26           HB       ILE  26   4.003  -1.692   1.330
  204   1HG1  ILE  26          HG12      ILE  26   3.136  -0.036   2.984
  205   2HG1  ILE  26          HG11      ILE  26   2.160  -0.178   1.521
  206   1HG2  ILE  26          HG21      ILE  26   2.812  -3.835   1.103
  207   2HG2  ILE  26          HG22      ILE  26   1.858  -2.486   0.484
  208   3HG2  ILE  26          HG23      ILE  26   1.477  -3.185   2.058
  209   1HD1  ILE  26          HD11      ILE  26   0.569  -1.567   2.698
  210   2HD1  ILE  26          HD12      ILE  26   0.791  -0.028   3.531
  211   3HD1  ILE  26          HD13      ILE  26   1.557  -1.490   4.155
  212    H    GLU  27           HN       GLU  27   2.458  -3.086   5.323
  213    HA   GLU  27           HA       GLU  27   2.418  -5.967   4.701
  214   1HB   GLU  27          HB2       GLU  27   3.207  -5.307   6.959
  215   2HB   GLU  27          HB1       GLU  27   1.653  -4.540   7.262
  216   1HG   GLU  27          HG2       GLU  27   0.554  -6.734   7.015
  217   2HG   GLU  27          HG1       GLU  27   2.137  -7.478   6.791
  218    H    TYR  28           HN       TYR  28   0.367  -7.105   4.803
  219    HA   TYR  28           HA       TYR  28  -2.028  -5.589   5.255
  220   1HB   TYR  28          HB2       TYR  28  -3.073  -5.981   3.082
  221   2HB   TYR  28          HB1       TYR  28  -1.610  -5.025   2.889
  222    HD1  TYR  28           HD1      TYR  28  -3.105  -8.361   2.382
  223    HD2  TYR  28           HD2      TYR  28   0.229  -5.832   1.597
  224    HE1  TYR  28           HE1      TYR  28  -2.288  -9.964   0.708
  225    HE2  TYR  28           HE2      TYR  28   1.053  -7.430  -0.085
  226    HH   TYR  28           HH       TYR  28  -0.858 -10.032  -1.232
  227    H    LYS  29           HN       LYS  29  -3.902  -6.897   5.373
  228    HA   LYS  29           HA       LYS  29  -3.437  -9.781   5.311
  229   1HB   LYS  29          HB2       LYS  29  -4.808 -10.004   7.421
  230   2HB   LYS  29          HB1       LYS  29  -3.180  -9.378   7.633
  231   1HG   LYS  29          HG2       LYS  29  -5.635  -7.642   7.515
  232   2HG   LYS  29          HG1       LYS  29  -4.963  -8.287   9.012
  233   1HD   LYS  29          HD2       LYS  29  -3.619  -6.413   7.071
  234   2HD   LYS  29          HD1       LYS  29  -4.197  -6.022   8.687
  235   1HE   LYS  29          HE2       LYS  29  -2.028  -8.037   8.106
  236   2HE   LYS  29          HE1       LYS  29  -1.723  -6.350   8.511
  237   1HZ   LYS  29          HZ1       LYS  29  -3.026  -6.790  10.604
  238   2HZ   LYS  29          HZ2       LYS  29  -1.515  -7.550  10.493
  239   3HZ   LYS  29          HZ3       LYS  29  -2.927  -8.445  10.225
  240    H    MET  30           HN       MET  30  -5.018 -10.885   4.404
  241    HA   MET  30           HA       MET  30  -7.194  -9.373   3.243
  242   1HB   MET  30          HB2       MET  30  -6.543 -12.329   3.019
  243   2HB   MET  30          HB1       MET  30  -7.638 -11.418   1.995
  244   1HG   MET  30          HG2       MET  30  -5.821 -10.139   1.091
  245   2HG   MET  30          HG1       MET  30  -4.687 -10.910   2.201
  246   1HE   MET  30          HE1       MET  30  -4.669 -14.606   0.908
  247   2HE   MET  30          HE2       MET  30  -5.750 -13.950   2.137
  248   3HE   MET  30          HE3       MET  30  -4.053 -13.473   2.111
  249    H    ARG  31           HN       ARG  31  -8.938  -9.047   4.371
  250    HA   ARG  31           HA       ARG  31  -9.688 -10.818   6.567
  251   1HB   ARG  31          HB2       ARG  31 -10.775  -8.142   5.676
  252   2HB   ARG  31          HB1       ARG  31 -11.300  -9.012   7.107
  253   1HG   ARG  31          HG2       ARG  31  -9.142  -8.711   8.133
  254   2HG   ARG  31          HG1       ARG  31  -8.502  -7.990   6.652
  255   1HD   ARG  31          HD2       ARG  31 -10.088  -6.152   6.844
  256   2HD   ARG  31          HD1       ARG  31 -10.770  -6.875   8.289
  257    HE   ARG  31           HE       ARG  31  -7.974  -5.972   8.197
  258   1HH1  ARG  31          HH11      ARG  31 -11.094  -6.096   9.758
  259   2HH1  ARG  31          HH12      ARG  31 -10.651  -5.008  11.040
  260   1HH2  ARG  31          HH21      ARG  31  -7.368  -4.534   9.863
  261   2HH2  ARG  31          HH22      ARG  31  -8.522  -4.120  11.108
  262    H    ASN  32           HN       ASN  32 -11.903 -11.521   6.765
  263    HA   ASN  32           HA       ASN  32 -13.810 -12.529   6.037
  264   1HB   ASN  32          HB2       ASN  32 -14.213 -10.041   5.432
  265   2HB   ASN  32          HB1       ASN  32 -13.877 -10.534   3.778
  266   1HD2  ASN  32          HD21      ASN  32 -16.327  -9.493   4.995
  267   2HD2  ASN  32          HD22      ASN  32 -17.555 -10.677   4.671
  268    H    ASN  33           HN       ASN  33 -11.882 -14.071   5.358
  269    HA   ASN  33           HA       ASN  33 -11.211 -15.752   3.993
  270   1HB   ASN  33          HB2       ASN  33 -13.638 -16.078   3.635
  271   2HB   ASN  33          HB1       ASN  33 -13.576 -14.970   2.270
  272   1HD2  ASN  33          HD21      ASN  33 -12.807 -15.687   0.322
  273   2HD2  ASN  33          HD22      ASN  33 -12.390 -17.332   0.008
  274    H    GLY  34           HN       GLY  34 -11.070 -12.592   3.132
  275   1HA   GLY  34          HA2       GLY  34  -9.175 -11.796   1.898
  276   2HA   GLY  34          HA1       GLY  34  -9.318 -13.190   0.839
  277    H    LYS  35           HN       LYS  35 -12.073 -11.327   1.879
  278    HA   LYS  35           HA       LYS  35 -12.503 -10.415  -0.864
  279   1HB   LYS  35          HB2       LYS  35 -14.269 -10.248   1.589
  280   2HB   LYS  35          HB1       LYS  35 -14.720  -9.668  -0.009
  281   1HG   LYS  35          HG2       LYS  35 -14.081 -12.521   0.706
  282   2HG   LYS  35          HG1       LYS  35 -15.697 -11.848   0.476
  283   1HD   LYS  35          HD2       LYS  35 -15.138 -11.309  -1.846
  284   2HD   LYS  35          HD1       LYS  35 -13.524 -11.987  -1.615
  285   1HE   LYS  35          HE2       LYS  35 -14.492 -14.171  -1.153
  286   2HE   LYS  35          HE1       LYS  35 -16.115 -13.503  -1.327
  287   1HZ   LYS  35          HZ1       LYS  35 -15.462 -14.626  -3.335
  288   2HZ   LYS  35          HZ2       LYS  35 -14.056 -13.692  -3.460
  289   3HZ   LYS  35          HZ3       LYS  35 -15.573 -12.961  -3.642
  290    H    VAL  36           HN       VAL  36 -11.447  -9.326   2.199
  291    HA   VAL  36           HA       VAL  36 -11.250  -6.575   1.179
  292    HB   VAL  36           HB       VAL  36 -11.992  -7.483   3.966
  293   1HG1  VAL  36          HG11      VAL  36 -11.240  -4.692   3.071
  294   2HG1  VAL  36          HG12      VAL  36 -10.279  -5.724   4.129
  295   3HG1  VAL  36          HG13      VAL  36 -11.856  -5.142   4.662
  296   1HG2  VAL  36          HG21      VAL  36 -13.827  -7.268   2.365
  297   2HG2  VAL  36          HG22      VAL  36 -13.332  -5.610   2.013
  298   3HG2  VAL  36          HG23      VAL  36 -13.926  -6.032   3.619
  299    H    MET  37           HN       MET  37  -9.195  -5.936   1.005
  300    HA   MET  37           HA       MET  37  -7.177  -7.360   2.581
  301   1HB   MET  37          HB2       MET  37  -7.076  -5.758   0.046
  302   2HB   MET  37          HB1       MET  37  -5.616  -5.970   1.010
  303   1HG   MET  37          HG2       MET  37  -5.809  -8.379   0.811
  304   2HG   MET  37          HG1       MET  37  -7.311  -8.202  -0.090
  305   1HE   MET  37          HE1       MET  37  -3.307  -6.603  -1.737
  306   2HE   MET  37          HE2       MET  37  -3.447  -7.320  -0.133
  307   3HE   MET  37          HE3       MET  37  -4.263  -5.798  -0.493
  308    H    ASP  38           HN       ASP  38  -6.554  -6.514   4.367
  309    HA   ASP  38           HA       ASP  38  -6.976  -3.670   4.869
  310   1HB   ASP  38          HB2       ASP  38  -7.749  -5.367   6.511
  311   2HB   ASP  38          HB1       ASP  38  -6.088  -5.914   6.700
  312    H    LEU  39           HN       LEU  39  -5.431  -2.438   4.159
  313    HA   LEU  39           HA       LEU  39  -2.710  -3.395   3.912
  314   1HB   LEU  39          HB2       LEU  39  -4.171  -0.928   3.028
  315   2HB   LEU  39          HB1       LEU  39  -2.418  -0.954   3.032
  316    HG   LEU  39           HG       LEU  39  -2.335  -2.639   1.385
  317   1HD1  LEU  39          HD11      LEU  39  -5.321  -2.912   1.607
  318   2HD1  LEU  39          HD12      LEU  39  -4.131  -4.077   2.186
  319   3HD1  LEU  39          HD13      LEU  39  -4.279  -3.753   0.459
  320   1HD2  LEU  39          HD21      LEU  39  -2.780  -0.386   0.578
  321   2HD2  LEU  39          HD22      LEU  39  -4.514  -0.695   0.662
  322   3HD2  LEU  39          HD23      LEU  39  -3.511  -1.598  -0.474
  323    H    VAL  40           HN       VAL  40  -1.381  -3.270   5.546
  324    HA   VAL  40           HA       VAL  40  -1.954  -1.270   7.623
  325    HB   VAL  40           HB       VAL  40  -1.119  -4.156   7.927
  326   1HG1  VAL  40          HG11      VAL  40   0.187  -2.856   9.495
  327   2HG1  VAL  40          HG12      VAL  40  -1.077  -3.736  10.353
  328   3HG1  VAL  40          HG13      VAL  40  -1.259  -2.010  10.040
  329   1HG2  VAL  40          HG21      VAL  40  -3.505  -2.604   8.919
  330   2HG2  VAL  40          HG22      VAL  40  -3.163  -4.298   9.274
  331   3HG2  VAL  40          HG23      VAL  40  -3.498  -3.794   7.616
  332    H    HIS  41           HN       HIS  41  -0.398   0.161   7.680
  333    HA   HIS  41           HA       HIS  41   1.576   1.012   8.332
  334   1HB   HIS  41          HB2       HIS  41   1.749  -1.255   9.593
  335   2HB   HIS  41          HB1       HIS  41   2.905  -1.670   8.333
  336    HD1  HIS  41           HD1      HIS  41   3.884  -1.516  11.192
  337    HD2  HIS  41           HD2      HIS  41   3.952   1.717   8.576
  338    HE1  HIS  41           HE1      HIS  41   5.563   0.089  12.143
  339    HE2  HIS  41           HE2      HIS  41   5.356   2.148  10.707
  340    H    THR  42           HN       THR  42   2.034   2.149   6.592
  341    HA   THR  42           HA       THR  42   3.737   0.995   4.531
  342    HB   THR  42           HB       THR  42   2.106   2.578   3.714
  343    HG1  THR  42           HG1      THR  42   3.608   3.298   2.442
  344   1HG2  THR  42          HG21      THR  42   2.071   4.931   4.487
  345   2HG2  THR  42          HG22      THR  42   3.231   4.504   5.748
  346   3HG2  THR  42          HG23      THR  42   1.617   3.790   5.753
  347    H    TYR  43           HN       TYR  43   5.894   0.994   4.780
  348    HA   TYR  43           HA       TYR  43   7.046   2.978   6.621
  349   1HB   TYR  43          HB2       TYR  43   7.199   0.132   6.749
  350   2HB   TYR  43          HB1       TYR  43   8.804   0.747   6.372
  351    HD1  TYR  43           HD1      TYR  43   7.985   3.451   7.976
  352    HD2  TYR  43           HD2      TYR  43   8.180  -0.701   8.882
  353    HE1  TYR  43           HE1      TYR  43   8.322   3.991  10.339
  354    HE2  TYR  43           HE2      TYR  43   8.530  -0.170  11.254
  355    HH   TYR  43           HH       TYR  43   9.348   1.677  12.624
  356    H    VAL  44           HN       VAL  44   8.997   3.898   6.071
  357    HA   VAL  44           HA       VAL  44  10.544   3.011   3.853
  358    HB   VAL  44           HB       VAL  44   8.741   4.159   2.613
  359   1HG1  VAL  44          HG11      VAL  44   9.627   6.631   4.084
  360   2HG1  VAL  44          HG12      VAL  44   8.068   5.819   4.237
  361   3HG1  VAL  44          HG13      VAL  44   8.517   6.592   2.715
  362   1HG2  VAL  44          HG21      VAL  44  11.386   5.595   2.497
  363   2HG2  VAL  44          HG22      VAL  44  10.160   5.575   1.229
  364   3HG2  VAL  44          HG23      VAL  44  10.985   4.084   1.680
  365    HA   PRO  45           HA       PRO  45  13.329   5.256   6.530
  366   1HB   PRO  45          HB2       PRO  45  15.627   4.493   5.382
  367   2HB   PRO  45          HB1       PRO  45  14.645   3.367   6.327
  368   1HG   PRO  45          HG2       PRO  45  14.853   3.668   3.360
  369   2HG   PRO  45          HG1       PRO  45  14.776   2.189   4.334
  370   1HD   PRO  45          HD2       PRO  45  12.628   3.291   3.019
  371   2HD   PRO  45          HD1       PRO  45  12.495   2.243   4.444
  372    H    SER  46           HN       SER  46  15.558   6.519   5.920
  373    HA   SER  46           HA       SER  46  14.609   8.834   4.582
  374   1HB   SER  46          HB2       SER  46  17.410   8.188   5.531
  375   2HB   SER  46          HB1       SER  46  16.795   9.790   5.119
  376    HG   SER  46           HG       SER  46  16.795   9.042   7.445
  377    H    PHE  47           HN       PHE  47  15.992   6.020   3.420
  378    HA   PHE  47           HA       PHE  47  17.532   6.846   1.256
  379   1HB   PHE  47          HB2       PHE  47  15.713   4.455   1.577
  380   2HB   PHE  47          HB1       PHE  47  16.773   4.680   0.192
  381    HD1  PHE  47           HD1      PHE  47  16.703   4.159   3.846
  382    HD2  PHE  47           HD2      PHE  47  19.067   4.176   0.312
  383    HE1  PHE  47           HE1      PHE  47  18.534   3.064   5.070
  384    HE2  PHE  47           HE2      PHE  47  20.905   3.084   1.527
  385    HZ   PHE  47           HZ       PHE  47  20.636   2.524   3.909
  386    H    LYS  48           HN       LYS  48  14.052   6.778   1.682
  387    HA   LYS  48           HA       LYS  48  13.728   8.008  -0.953
  388   1HB   LYS  48          HB2       LYS  48  12.311   5.523   0.002
  389   2HB   LYS  48          HB1       LYS  48  11.696   6.516  -1.313
  390   1HG   LYS  48          HG2       LYS  48  13.585   6.049  -2.667
  391   2HG   LYS  48          HG1       LYS  48  14.457   5.320  -1.319
  392   1HD   LYS  48          HD2       LYS  48  11.867   4.218  -2.390
  393   2HD   LYS  48          HD1       LYS  48  13.449   3.712  -2.990
  394   1HE   LYS  48          HE2       LYS  48  12.543   3.532  -0.117
  395   2HE   LYS  48          HE1       LYS  48  12.542   2.193  -1.263
  396   1HZ   LYS  48          HZ1       LYS  48  14.943   3.702  -0.384
  397   2HZ   LYS  48          HZ2       LYS  48  14.938   2.416  -1.485
  398   3HZ   LYS  48          HZ3       LYS  48  14.509   2.151   0.135
  399    H    ARG  49           HN       ARG  49  13.646   9.586   1.124
  400    HA   ARG  49           HA       ARG  49  11.107   9.805   2.407
  401   1HB   ARG  49          HB2       ARG  49  13.337  11.810   2.045
  402   2HB   ARG  49          HB1       ARG  49  11.904  12.102   3.018
  403   1HG   ARG  49          HG2       ARG  49  13.807   9.831   3.509
  404   2HG   ARG  49          HG1       ARG  49  13.946  11.410   4.283
  405   1HD   ARG  49          HD2       ARG  49  11.694  11.130   5.231
  406   2HD   ARG  49          HD1       ARG  49  11.586   9.538   4.479
  407    HE   ARG  49           HE       ARG  49  13.826  10.012   6.287
  408   1HH1  ARG  49          HH11      ARG  49  10.609   8.694   5.881
  409   2HH1  ARG  49          HH12      ARG  49  10.790   7.520   7.139
  410   1HH2  ARG  49          HH21      ARG  49  14.063   8.479   7.958
  411   2HH2  ARG  49          HH22      ARG  49  12.753   7.400   8.337
  412    H    GLY  50           HN       GLY  50   9.346  10.080   1.174
  413   1HA   GLY  50          HA2       GLY  50   7.801  11.277  -0.053
  414   2HA   GLY  50          HA1       GLY  50   8.972  12.584  -0.155
  415    H    LEU  51           HN       LEU  51  10.014   9.480  -1.209
  416    HA   LEU  51           HA       LEU  51  10.294  10.448  -3.910
  417   1HB   LEU  51          HB2       LEU  51  11.245   8.118  -2.364
  418   2HB   LEU  51          HB1       LEU  51  11.040   7.865  -4.085
  419    HG   LEU  51           HG       LEU  51  13.348   8.463  -3.513
  420   1HD1  LEU  51          HD11      LEU  51  12.488   9.057  -5.704
  421   2HD1  LEU  51          HD12      LEU  51  13.639  10.265  -5.133
  422   3HD1  LEU  51          HD13      LEU  51  11.908  10.599  -5.075
  423   1HD2  LEU  51          HD21      LEU  51  12.147  11.049  -2.533
  424   2HD2  LEU  51          HD22      LEU  51  13.870  10.745  -2.755
  425   3HD2  LEU  51          HD23      LEU  51  12.959   9.828  -1.554
  426    H    GLY  52           HN       GLY  52   7.790   9.008  -2.271
  427   1HA   GLY  52          HA2       GLY  52   5.724   8.553  -3.425
  428   2HA   GLY  52          HA1       GLY  52   6.676   7.972  -4.790
  429    H    LEU  53           HN       LEU  53   8.466   6.550  -2.891
  430    HA   LEU  53           HA       LEU  53   7.553   4.020  -3.389
  431   1HB   LEU  53          HB2       LEU  53   9.872   4.857  -2.720
  432   2HB   LEU  53          HB1       LEU  53   9.332   4.683  -1.062
  433    HG   LEU  53           HG       LEU  53  10.706   2.774  -2.129
  434   1HD1  LEU  53          HD11      LEU  53   9.466   1.075  -0.887
  435   2HD1  LEU  53          HD12      LEU  53   8.090   2.173  -0.761
  436   3HD1  LEU  53          HD13      LEU  53   9.615   2.573   0.034
  437   1HD2  LEU  53          HD21      LEU  53   9.406   1.116  -3.344
  438   2HD2  LEU  53          HD22      LEU  53   9.414   2.653  -4.209
  439   3HD2  LEU  53          HD23      LEU  53   7.990   2.165  -3.288
  440    H    ALA  54           HN       ALA  54   7.222   5.810  -0.334
  441    HA   ALA  54           HA       ALA  54   6.208   3.783   1.244
  442   1HB   ALA  54          HB1       ALA  54   5.270   5.529   2.641
  443   2HB   ALA  54          HB2       ALA  54   5.443   6.691   1.327
  444   3HB   ALA  54          HB3       ALA  54   6.876   5.986   2.076
  445    H    SER  55           HN       SER  55   4.359   6.182  -0.601
  446    HA   SER  55           HA       SER  55   1.857   4.921  -0.124
  447   1HB   SER  55          HB2       SER  55   1.284   6.544  -2.152
  448   2HB   SER  55          HB1       SER  55   1.598   7.177  -0.535
  449    HG   SER  55           HG       SER  55   3.005   7.525  -2.831
  450    H    HIS  56           HN       HIS  56   4.285   4.765  -2.573
  451    HA   HIS  56           HA       HIS  56   3.001   3.421  -4.639
  452   1HB   HIS  56          HB2       HIS  56   5.493   4.293  -4.174
  453   2HB   HIS  56          HB1       HIS  56   5.740   2.579  -3.879
  454    HD1  HIS  56           HD1      HIS  56   4.169   1.292  -6.150
  455    HD2  HIS  56           HD2      HIS  56   6.408   4.765  -6.563
  456    HE1  HIS  56           HE1      HIS  56   4.717   1.445  -8.601
  457    HE2  HIS  56           HE2      HIS  56   5.918   3.650  -8.861
  458    H    LEU  57           HN       LEU  57   4.514   2.249  -1.708
  459    HA   LEU  57           HA       LEU  57   4.249  -0.514  -2.109
  460   1HB   LEU  57          HB2       LEU  57   4.222   1.099   0.442
  461   2HB   LEU  57          HB1       LEU  57   4.318  -0.650   0.392
  462    HG   LEU  57           HG       LEU  57   6.369   1.186  -0.843
  463   1HD1  LEU  57          HD11      LEU  57   6.327   1.471   1.570
  464   2HD1  LEU  57          HD12      LEU  57   7.769   0.581   1.079
  465   3HD1  LEU  57          HD13      LEU  57   6.404  -0.278   1.794
  466   1HD2  LEU  57          HD21      LEU  57   6.398  -1.779  -0.276
  467   2HD2  LEU  57          HD22      LEU  57   7.736  -0.840  -0.938
  468   3HD2  LEU  57          HD23      LEU  57   6.250  -1.032  -1.867
  469    H    CYS  58           HN       CYS  58   2.093   1.782  -0.486
  470    HA   CYS  58           HA       CYS  58   0.018   0.000   0.125
  471   1HB   CYS  58          HB2       CYS  58   0.124   2.289   1.024
  472   2HB   CYS  58          HB1       CYS  58  -0.162   2.939  -0.592
  473    HG   CYS  58           HG       CYS  58  -2.655   1.078  -0.325
  474    H    VAL  59           HN       VAL  59   0.691   1.865  -2.794
  475    HA   VAL  59           HA       VAL  59  -1.615   1.136  -4.238
  476    HB   VAL  59           HB       VAL  59   1.119   1.985  -5.196
  477   1HG1  VAL  59          HG11      VAL  59   0.052   0.726  -6.985
  478   2HG1  VAL  59          HG12      VAL  59   0.054   2.447  -7.369
  479   3HG1  VAL  59          HG13      VAL  59  -1.425   1.675  -6.796
  480   1HG2  VAL  59          HG21      VAL  59  -0.075   3.662  -3.921
  481   2HG2  VAL  59          HG22      VAL  59  -1.500   3.451  -4.941
  482   3HG2  VAL  59          HG23      VAL  59  -0.016   4.116  -5.623
  483    H    ALA  60           HN       ALA  60   1.488  -0.473  -3.807
  484    HA   ALA  60           HA       ALA  60   1.231  -2.421  -5.803
  485   1HB   ALA  60          HB1       ALA  60   3.326  -2.056  -4.602
  486   2HB   ALA  60          HB2       ALA  60   2.832  -3.745  -4.497
  487   3HB   ALA  60          HB3       ALA  60   2.592  -2.668  -3.120
  488    H    ALA  61           HN       ALA  61  -0.131  -2.256  -2.534
  489    HA   ALA  61           HA       ALA  61  -1.267  -4.880  -2.692
  490   1HB   ALA  61          HB1       ALA  61  -2.008  -2.584  -0.889
  491   2HB   ALA  61          HB2       ALA  61  -0.784  -3.807  -0.547
  492   3HB   ALA  61          HB3       ALA  61  -2.482  -4.268  -0.682
  493    H    PHE  62           HN       PHE  62  -2.373  -1.598  -3.405
  494    HA   PHE  62           HA       PHE  62  -5.048  -2.143  -3.999
  495   1HB   PHE  62          HB2       PHE  62  -3.130  -0.105  -5.104
  496   2HB   PHE  62          HB1       PHE  62  -4.778  -0.225  -5.702
  497    HD1  PHE  62           HD1      PHE  62  -6.354  -0.638  -3.317
  498    HD2  PHE  62           HD2      PHE  62  -2.954   1.851  -3.911
  499    HE1  PHE  62           HE1      PHE  62  -7.144   0.864  -1.533
  500    HE2  PHE  62           HE2      PHE  62  -3.738   3.359  -2.126
  501    HZ   PHE  62           HZ       PHE  62  -5.833   2.861  -0.933
  502    H    GLU  63           HN       GLU  63  -2.231  -2.130  -6.146
  503    HA   GLU  63           HA       GLU  63  -3.411  -2.875  -8.532
  504   1HB   GLU  63          HB2       GLU  63  -0.708  -3.685  -7.432
  505   2HB   GLU  63          HB1       GLU  63  -1.189  -3.833  -9.117
  506   1HG   GLU  63          HG2       GLU  63  -1.270  -1.185  -7.733
  507   2HG   GLU  63          HG1       GLU  63   0.239  -1.823  -8.383
  508    H    HIS  64           HN       HIS  64  -2.451  -4.849  -5.806
  509    HA   HIS  64           HA       HIS  64  -2.751  -7.363  -7.119
  510   1HB   HIS  64          HB2       HIS  64  -1.284  -6.984  -5.153
  511   2HB   HIS  64          HB1       HIS  64  -2.711  -6.721  -4.161
  512    HD1  HIS  64           HD1      HIS  64  -0.853  -9.426  -6.001
  513    HD2  HIS  64           HD2      HIS  64  -3.965  -9.021  -3.268
  514    HE1  HIS  64           HE1      HIS  64  -1.320 -11.749  -5.150
  515    HE2  HIS  64           HE2      HIS  64  -3.096 -11.455  -3.380
  516    H    ALA  65           HN       ALA  65  -4.736  -5.581  -4.763
  517    HA   ALA  65           HA       ALA  65  -6.776  -7.556  -4.657
  518   1HB   ALA  65          HB1       ALA  65  -6.939  -4.653  -3.886
  519   2HB   ALA  65          HB2       ALA  65  -6.365  -5.957  -2.846
  520   3HB   ALA  65          HB3       ALA  65  -8.042  -5.937  -3.393
  521    H    SER  66           HN       SER  66  -6.585  -4.385  -6.273
  522    HA   SER  66           HA       SER  66  -9.125  -4.323  -7.360
  523   1HB   SER  66          HB2       SER  66  -7.497  -2.451  -7.414
  524   2HB   SER  66          HB1       SER  66  -6.598  -3.294  -8.674
  525    HG   SER  66           HG       SER  66  -9.348  -2.785  -9.016
  526    H    SER  67           HN       SER  67  -6.240  -5.933  -8.673
  527    HA   SER  67           HA       SER  67  -7.596  -6.657 -11.096
  528   1HB   SER  67          HB2       SER  67  -5.522  -8.009 -11.528
  529   2HB   SER  67          HB1       SER  67  -5.228  -6.295 -11.227
  530    HG   SER  67           HG       SER  67  -4.256  -6.757  -9.393
  531    H    HIS  68           HN       HIS  68  -7.417  -7.980  -7.948
  532    HA   HIS  68           HA       HIS  68  -8.325 -10.604  -8.918
  533   1HB   HIS  68          HB2       HIS  68  -6.402 -10.329  -7.205
  534   2HB   HIS  68          HB1       HIS  68  -7.674  -9.949  -6.050
  535    HD1  HIS  68           HD1      HIS  68  -9.118 -11.909  -5.195
  536    HD2  HIS  68           HD2      HIS  68  -6.344 -13.007  -8.090
  537    HE1  HIS  68           HE1      HIS  68  -9.060 -14.419  -5.156
  538    HE2  HIS  68           HE2      HIS  68  -7.228 -15.052  -6.773
  539    H    SER  69           HN       SER  69  -9.743  -7.827  -8.393
  540    HA   SER  69           HA       SER  69 -11.848  -7.135  -7.895
  541   1HB   SER  69          HB2       SER  69 -12.453 -10.101  -7.826
  542   2HB   SER  69          HB1       SER  69 -13.662  -8.818  -7.867
  543    HG   SER  69           HG       SER  69 -11.697  -8.772  -9.856
  544    H    ILE  70           HN       ILE  70  -9.994  -7.344  -5.794
  545    HA   ILE  70           HA       ILE  70 -11.602  -8.220  -3.493
  546    HB   ILE  70           HB       ILE  70  -8.667  -7.470  -3.545
  547   1HG1  ILE  70          HG12      ILE  70  -9.926 -10.222  -3.562
  548   2HG1  ILE  70          HG11      ILE  70  -9.093  -9.472  -4.921
  549   1HG2  ILE  70          HG21      ILE  70 -10.317  -8.887  -1.458
  550   2HG2  ILE  70          HG22      ILE  70  -9.696  -7.240  -1.354
  551   3HG2  ILE  70          HG23      ILE  70  -8.578  -8.605  -1.378
  552   1HD1  ILE  70          HD11      ILE  70  -7.869 -10.233  -2.277
  553   2HD1  ILE  70          HD12      ILE  70  -7.022  -9.430  -3.598
  554   3HD1  ILE  70          HD13      ILE  70  -7.649 -11.063  -3.817
  555    H    SER  71           HN       SER  71 -12.016  -6.788  -1.775
  556    HA   SER  71           HA       SER  71 -11.750  -3.950  -2.409
  557   1HB   SER  71          HB2       SER  71 -13.179  -5.342  -0.123
  558   2HB   SER  71          HB1       SER  71 -13.241  -3.612  -0.468
  559    HG   SER  71           HG       SER  71 -13.883  -5.325  -2.557
  560    H    ILE  72           HN       ILE  72 -11.107  -2.528  -0.427
  561    HA   ILE  72           HA       ILE  72  -8.913  -3.795   1.061
  562    HB   ILE  72           HB       ILE  72  -8.595  -1.533  -0.929
  563   1HG1  ILE  72          HG12      ILE  72  -7.384  -4.269  -0.620
  564   2HG1  ILE  72          HG11      ILE  72  -8.278  -3.613  -1.989
  565   1HG2  ILE  72          HG21      ILE  72  -6.622  -2.347   1.197
  566   2HG2  ILE  72          HG22      ILE  72  -7.451  -0.796   1.057
  567   3HG2  ILE  72          HG23      ILE  72  -6.270  -1.280  -0.161
  568   1HD1  ILE  72          HD11      ILE  72  -5.916  -3.789  -2.495
  569   2HD1  ILE  72          HD12      ILE  72  -5.527  -2.761  -1.115
  570   3HD1  ILE  72          HD13      ILE  72  -6.430  -2.103  -2.481
  571    H    ILE  73           HN       ILE  73  -8.199  -2.610   2.839
  572    HA   ILE  73           HA       ILE  73  -9.486  -0.044   3.500
  573    HB   ILE  73           HB       ILE  73  -9.353  -2.511   5.259
  574   1HG1  ILE  73          HG12      ILE  73 -11.363  -2.236   3.875
  575   2HG1  ILE  73          HG11      ILE  73 -11.734  -2.106   5.594
  576   1HG2  ILE  73          HG21      ILE  73  -8.441  -0.669   6.554
  577   2HG2  ILE  73          HG22      ILE  73 -10.039  -1.118   7.157
  578   3HG2  ILE  73          HG23      ILE  73  -9.846   0.325   6.160
  579   1HD1  ILE  73          HD11      ILE  73 -12.956  -0.460   4.293
  580   2HD1  ILE  73          HD12      ILE  73 -11.438   0.192   3.673
  581   3HD1  ILE  73          HD13      ILE  73 -11.818   0.324   5.391
  582    HA   PRO  74           HA       PRO  74  -5.090   0.320   4.263
  583   1HB   PRO  74          HB2       PRO  74  -5.039   3.036   3.751
  584   2HB   PRO  74          HB1       PRO  74  -4.958   1.767   2.529
  585   1HG   PRO  74          HG2       PRO  74  -7.074   3.649   2.992
  586   2HG   PRO  74          HG1       PRO  74  -6.991   2.381   1.759
  587   1HD   PRO  74          HD2       PRO  74  -8.378   2.383   4.371
  588   2HD   PRO  74          HD1       PRO  74  -8.713   1.424   2.914
  589    H    SER  75           HN       SER  75  -4.805  -0.003   6.479
  590    HA   SER  75           HA       SER  75  -5.163   2.088   8.418
  591   1HB   SER  75          HB2       SER  75  -3.082  -0.122   8.448
  592   2HB   SER  75          HB1       SER  75  -3.700   0.776   9.834
  593    HG   SER  75           HG       SER  75  -5.813  -0.234   8.723
  594    H    CYS  76           HN       CYS  76  -3.077   1.421   5.892
  595    HA   CYS  76           HA       CYS  76  -0.845   3.032   6.361
  596   1HB   CYS  76          HB2       CYS  76  -2.118   2.479   3.689
  597   2HB   CYS  76          HB1       CYS  76  -0.434   2.863   4.021
  598    HG   CYS  76           HG       CYS  76  -2.056   0.014   4.960
  599    H    SER  77           HN       SER  77  -3.510   4.255   6.984
  600    HA   SER  77           HA       SER  77  -4.631   5.876   5.132
  601   1HB   SER  77          HB2       SER  77  -4.403   6.675   8.016
  602   2HB   SER  77          HB1       SER  77  -5.776   6.858   6.921
  603    HG   SER  77           HG       SER  77  -5.899   4.523   6.897
  604    H    TYR  78           HN       TYR  78  -1.530   6.565   6.625
  605    HA   TYR  78           HA       TYR  78  -1.360   9.303   6.047
  606   1HB   TYR  78          HB2       TYR  78   0.650   8.714   6.946
  607   2HB   TYR  78          HB1       TYR  78   0.543   7.068   6.337
  608    HD1  TYR  78           HD1      TYR  78   1.500  10.537   5.392
  609    HD2  TYR  78           HD2      TYR  78   1.719   6.408   4.408
  610    HE1  TYR  78           HE1      TYR  78   3.177  11.039   3.662
  611    HE2  TYR  78           HE2      TYR  78   3.391   6.887   2.677
  612    HH   TYR  78           HH       TYR  78   4.044   8.881   1.260
  613    H    VAL  79           HN       VAL  79  -0.798   6.479   3.993
  614    HA   VAL  79           HA       VAL  79  -0.317   7.831   1.570
  615    HB   VAL  79           HB       VAL  79  -1.465   5.064   2.011
  616   1HG1  VAL  79          HG11      VAL  79  -0.216   6.294  -0.443
  617   2HG1  VAL  79          HG12      VAL  79  -1.914   5.867  -0.239
  618   3HG1  VAL  79          HG13      VAL  79  -0.685   4.603  -0.272
  619   1HG2  VAL  79          HG21      VAL  79   0.828   4.284   1.651
  620   2HG2  VAL  79          HG22      VAL  79   0.715   5.338   3.061
  621   3HG2  VAL  79          HG23      VAL  79   1.377   5.956   1.548
  622    H    SER  80           HN       SER  80  -3.251   6.426   2.973
  623    HA   SER  80           HA       SER  80  -4.827   6.748   0.674
  624   1HB   SER  80          HB2       SER  80  -6.760   6.377   2.163
  625   2HB   SER  80          HB1       SER  80  -5.466   5.221   2.467
  626    HG   SER  80           HG       SER  80  -5.945   7.582   3.961
  627    H    ASP  81           HN       ASP  81  -4.147   8.903   3.338
  628    HA   ASP  81           HA       ASP  81  -6.264  10.726   2.831
  629   1HB   ASP  81          HB2       ASP  81  -5.275  10.694   5.025
  630   2HB   ASP  81          HB1       ASP  81  -3.672  11.012   4.369
  631    H    THR  82           HN       THR  82  -2.766  10.867   2.092
  632    HA   THR  82           HA       THR  82  -3.207  13.285   0.558
  633    HB   THR  82           HB       THR  82  -1.230  13.238   1.935
  634    HG1  THR  82           HG1      THR  82  -0.604  14.446   0.311
  635   1HG2  THR  82          HG21      THR  82  -0.803  10.834   1.987
  636   2HG2  THR  82          HG22      THR  82   0.643  11.718   1.495
  637   3HG2  THR  82          HG23      THR  82  -0.327  10.872   0.289
  638    H    PHE  83           HN       PHE  83  -2.175   9.947  -0.095
  639    HA   PHE  83           HA       PHE  83  -1.464  10.532  -2.796
  640   1HB   PHE  83          HB2       PHE  83  -0.595   8.683  -1.172
  641   2HB   PHE  83          HB1       PHE  83  -1.933   7.753  -1.830
  642    HD1  PHE  83           HD1      PHE  83  -1.140   6.202  -3.338
  643    HD2  PHE  83           HD2      PHE  83   0.488  10.134  -3.360
  644    HE1  PHE  83           HE1      PHE  83   0.220   5.634  -5.312
  645    HE2  PHE  83           HE2      PHE  83   1.847   9.570  -5.331
  646    HZ   PHE  83           HZ       PHE  83   1.713   7.316  -6.309
  647    H    LEU  84           HN       LEU  84  -4.287   9.031  -1.264
  648    HA   LEU  84           HA       LEU  84  -5.327   7.927  -3.637
  649   1HB   LEU  84          HB2       LEU  84  -6.503   8.629  -0.994
  650   2HB   LEU  84          HB1       LEU  84  -7.568   8.165  -2.310
  651    HG   LEU  84           HG       LEU  84  -5.243   6.473  -1.395
  652   1HD1  LEU  84          HD11      LEU  84  -6.799   6.725   0.450
  653   2HD1  LEU  84          HD12      LEU  84  -6.886   5.096  -0.223
  654   3HD1  LEU  84          HD13      LEU  84  -8.139   6.278  -0.604
  655   1HD2  LEU  84          HD21      LEU  84  -6.387   4.711  -2.609
  656   2HD2  LEU  84          HD22      LEU  84  -6.064   6.079  -3.675
  657   3HD2  LEU  84          HD23      LEU  84  -7.688   5.824  -3.036
  658    HA   PRO  85           HA       PRO  85  -7.706  12.178  -4.188
  659   1HB   PRO  85          HB2       PRO  85  -5.691  13.872  -2.806
  660   2HB   PRO  85          HB1       PRO  85  -7.446  14.065  -2.903
  661   1HG   PRO  85          HG2       PRO  85  -6.309  13.207  -0.664
  662   2HG   PRO  85          HG1       PRO  85  -7.839  12.507  -1.228
  663   1HD   PRO  85          HD2       PRO  85  -5.062  11.383  -1.400
  664   2HD   PRO  85          HD1       PRO  85  -6.599  10.564  -1.039
  665    H    ARG  86           HN       ARG  86  -4.243  11.708  -3.948
  666    HA   ARG  86           HA       ARG  86  -3.524  13.468  -6.078
  667   1HB   ARG  86          HB2       ARG  86  -2.031  12.685  -4.176
  668   2HB   ARG  86          HB1       ARG  86  -1.888  11.154  -5.029
  669   1HG   ARG  86          HG2       ARG  86  -0.926  12.346  -6.954
  670   2HG   ARG  86          HG1       ARG  86  -1.024  13.858  -6.046
  671   1HD   ARG  86          HD2       ARG  86   0.650  11.430  -5.429
  672   2HD   ARG  86          HD1       ARG  86   1.208  13.051  -5.838
  673    HE   ARG  86           HE       ARG  86  -0.334  13.278  -3.529
  674   1HH1  ARG  86          HH11      ARG  86   2.714  11.849  -4.533
  675   2HH1  ARG  86          HH12      ARG  86   3.387  11.849  -2.932
  676   1HH2  ARG  86          HH21      ARG  86   0.549  13.238  -1.406
  677   2HH2  ARG  86          HH22      ARG  86   2.159  12.621  -1.159
  678    H    ASN  87           HN       ASN  87  -4.316  10.044  -5.857
  679    HA   ASN  87           HA       ASN  87  -4.750  10.040  -8.720
  680   1HB   ASN  87          HB2       ASN  87  -3.536   7.998  -9.208
  681   2HB   ASN  87          HB1       ASN  87  -2.433   9.199  -8.565
  682   1HD2  ASN  87          HD21      ASN  87  -3.047   8.811  -5.797
  683   2HD2  ASN  87          HD22      ASN  87  -2.443   7.254  -5.358
  684    HA   PRO  88           HA       PRO  88  -8.049   7.949  -6.426
  685   1HB   PRO  88          HB2       PRO  88  -9.958   9.298  -8.055
  686   2HB   PRO  88          HB1       PRO  88  -9.545   9.631  -6.375
  687   1HG   PRO  88          HG2       PRO  88  -9.032  11.309  -8.525
  688   2HG   PRO  88          HG1       PRO  88  -8.250  11.402  -6.939
  689   1HD   PRO  88          HD2       PRO  88  -7.249  10.228  -9.486
  690   2HD   PRO  88          HD1       PRO  88  -6.360  11.061  -8.193
  691    H    SER  89           HN       SER  89  -7.771   5.895  -7.257
  692    HA   SER  89           HA       SER  89  -9.637   5.232  -9.384
  693   1HB   SER  89          HB2       SER  89  -7.461   5.623 -10.554
  694   2HB   SER  89          HB1       SER  89  -6.731   4.368  -9.554
  695    HG   SER  89           HG       SER  89  -8.432   2.959 -10.447
  696    H    TRP  90           HN       TRP  90  -8.970   4.823  -6.402
  697    HA   TRP  90           HA       TRP  90  -9.029   1.878  -6.421
  698   1HB   TRP  90          HB2       TRP  90  -7.856   3.500  -4.175
  699   2HB   TRP  90          HB1       TRP  90  -7.625   1.791  -4.530
  700    HD1  TRP  90           HD1      TRP  90  -5.956   5.036  -4.919
  701    HE1  TRP  90           HE1      TRP  90  -3.981   4.880  -6.551
  702    HE3  TRP  90           HE3      TRP  90  -6.994   0.477  -7.005
  703    HZ2  TRP  90           HZ2      TRP  90  -2.988   3.059  -8.470
  704    HZ3  TRP  90           HZ3      TRP  90  -5.478  -0.394  -8.735
  705    HH2  TRP  90           HH2      TRP  90  -3.519   0.872  -9.452
  706    H    LYS  91           HN       LYS  91 -10.990   4.342  -6.048
  707    HA   LYS  91           HA       LYS  91 -12.099   4.089  -3.483
  708   1HB   LYS  91          HB2       LYS  91 -12.540   5.937  -5.194
  709   2HB   LYS  91          HB1       LYS  91 -13.718   4.842  -5.907
  710   1HG   LYS  91          HG2       LYS  91 -14.830   4.705  -3.679
  711   2HG   LYS  91          HG1       LYS  91 -13.730   5.962  -3.115
  712   1HD   LYS  91          HD2       LYS  91 -14.590   7.371  -5.043
  713   2HD   LYS  91          HD1       LYS  91 -15.857   6.157  -5.231
  714   1HE   LYS  91          HE2       LYS  91 -15.309   7.888  -2.824
  715   2HE   LYS  91          HE1       LYS  91 -16.726   7.924  -3.871
  716   1HZ   LYS  91          HZ1       LYS  91 -15.947   5.708  -2.051
  717   2HZ   LYS  91          HZ2       LYS  91 -17.275   5.678  -3.105
  718   3HZ   LYS  91          HZ3       LYS  91 -17.232   6.786  -1.827
  719    HA   PRO  92           HA       PRO  92 -15.168   0.829  -5.670
  720   1HB   PRO  92          HB2       PRO  92 -13.007  -0.443  -7.274
  721   2HB   PRO  92          HB1       PRO  92 -14.732  -0.294  -7.628
  722   1HG   PRO  92          HG2       PRO  92 -12.971   1.263  -8.864
  723   2HG   PRO  92          HG1       PRO  92 -14.534   1.910  -8.329
  724   1HD   PRO  92          HD2       PRO  92 -11.825   2.266  -7.131
  725   2HD   PRO  92          HD1       PRO  92 -13.171   3.417  -7.249
  726    H    LEU  93           HN       LEU  93 -11.930   0.641  -4.526
  727    HA   LEU  93           HA       LEU  93 -12.299  -2.093  -3.557
  728   1HB   LEU  93          HB2       LEU  93  -9.857  -0.374  -3.202
  729   2HB   LEU  93          HB1       LEU  93  -9.968  -2.125  -3.156
  730    HG   LEU  93           HG       LEU  93 -10.390  -0.455  -5.628
  731   1HD1  LEU  93          HD11      LEU  93  -8.081  -0.303  -4.822
  732   2HD1  LEU  93          HD12      LEU  93  -8.184  -1.224  -6.323
  733   3HD1  LEU  93          HD13      LEU  93  -7.977  -2.063  -4.784
  734   1HD2  LEU  93          HD21      LEU  93 -11.556  -2.566  -5.731
  735   2HD2  LEU  93          HD22      LEU  93 -10.107  -3.430  -5.216
  736   3HD2  LEU  93          HD23      LEU  93 -10.142  -2.624  -6.784
  737    H    ILE  94           HN       ILE  94 -11.930   1.218  -2.450
  738    HA   ILE  94           HA       ILE  94 -12.040   0.271   0.340
  739    HB   ILE  94           HB       ILE  94 -10.496   2.002   0.990
  740   1HG1  ILE  94          HG12      ILE  94 -10.262   2.779  -1.918
  741   2HG1  ILE  94          HG11      ILE  94 -11.280   3.642  -0.766
  742   1HG2  ILE  94          HG21      ILE  94  -9.482   0.506  -1.420
  743   2HG2  ILE  94          HG22      ILE  94  -9.473  -0.059   0.251
  744   3HG2  ILE  94          HG23      ILE  94  -8.469   1.311  -0.222
  745   1HD1  ILE  94          HD11      ILE  94  -9.104   4.704  -1.103
  746   2HD1  ILE  94          HD12      ILE  94  -8.318   3.245  -0.494
  747   3HD1  ILE  94          HD13      ILE  94  -9.361   4.195   0.565
  748    H    HIS  95           HN       HIS  95 -11.951   2.807   1.481
  749    HA   HIS  95           HA       HIS  95 -14.582   3.808   1.366
  750   1HB   HIS  95          HB2       HIS  95 -12.003   4.993   2.416
  751   2HB   HIS  95          HB1       HIS  95 -13.582   5.737   2.663
  752    HD1  HIS  95           HD1      HIS  95 -11.999   5.024   5.106
  753    HD2  HIS  95           HD2      HIS  95 -14.617   2.353   3.281
  754    HE1  HIS  95           HE1      HIS  95 -12.613   3.359   6.884
  755    HE2  HIS  95           HE2      HIS  95 -14.317   1.845   5.806
  756    H    SER  96           HN       SER  96 -11.775   5.855   0.758
  757    HA   SER  96           HA       SER  96 -12.025   6.219  -2.000
  758   1HB   SER  96          HB2       SER  96 -14.168   7.369  -1.322
  759   2HB   SER  96          HB1       SER  96 -13.194   8.520  -0.405
  760    HG   SER  96           HG       SER  96 -13.493   9.456  -2.362
  761    H    GLU  97           HN       GLU  97 -11.532   8.147   0.904
  762    HA   GLU  97           HA       GLU  97  -8.686   8.375   0.265
  763   1HB   GLU  97          HB2       GLU  97  -9.805  10.501  -0.156
  764   2HB   GLU  97          HB1       GLU  97 -10.554  10.481   1.428
  765   1HG   GLU  97          HG2       GLU  97  -7.967  10.381   2.141
  766   2HG   GLU  97          HG1       GLU  97  -7.825  11.233   0.602
  767    H    VAL  98           HN       VAL  98  -8.361   9.696   2.983
  768    HA   VAL  98           HA       VAL  98  -8.003   7.307   4.450
  769    HB   VAL  98           HB       VAL  98  -6.551   9.207   4.860
  770   1HG1  VAL  98          HG11      VAL  98  -8.119  11.025   4.495
  771   2HG1  VAL  98          HG12      VAL  98  -7.333  11.191   6.064
  772   3HG1  VAL  98          HG13      VAL  98  -8.989  10.592   5.964
  773   1HG2  VAL  98          HG21      VAL  98  -6.609   9.241   7.312
  774   2HG2  VAL  98          HG22      VAL  98  -6.824   7.616   6.665
  775   3HG2  VAL  98          HG23      VAL  98  -8.216   8.512   7.273
  776    H    PHE  99           HN       PHE  99 -10.530   9.785   4.503
  777    HA   PHE  99           HA       PHE  99 -12.111   8.075   6.241
  778   1HB   PHE  99          HB2       PHE  99 -10.673   9.565   7.694
  779   2HB   PHE  99          HB1       PHE  99 -11.561  10.936   7.040
  780    HD1  PHE  99           HD1      PHE  99 -11.999   7.751   8.903
  781    HD2  PHE  99           HD2      PHE  99 -13.576  11.595   7.981
  782    HE1  PHE  99           HE1      PHE  99 -13.732   7.451  10.621
  783    HE2  PHE  99           HE2      PHE  99 -15.313  11.299   9.699
  784    HZ   PHE  99           HZ       PHE  99 -15.373   9.203  11.033
  785    H    LYS 100           HN       LYS 100 -11.861  10.912   4.180
  786    HA   LYS 100           HA       LYS 100 -14.670  11.479   4.396
  787   1HB   LYS 100          HB2       LYS 100 -14.299  13.257   2.791
  788   2HB   LYS 100          HB1       LYS 100 -13.088  13.314   4.054
  789   1HG   LYS 100          HG2       LYS 100 -11.928  13.801   2.094
  790   2HG   LYS 100          HG1       LYS 100 -11.552  12.107   2.407
  791   1HD   LYS 100          HD2       LYS 100 -12.686  11.379   0.582
  792   2HD   LYS 100          HD1       LYS 100 -13.916  12.633   0.711
  793   1HE   LYS 100          HE2       LYS 100 -12.596  12.896  -1.300
  794   2HE   LYS 100          HE1       LYS 100 -12.365  14.266  -0.222
  795   1HZ   LYS 100          HZ1       LYS 100 -10.286  13.612  -1.163
  796   2HZ   LYS 100          HZ2       LYS 100 -10.503  12.002  -0.688
  797   3HZ   LYS 100          HZ3       LYS 100 -10.258  13.206   0.486
  798    H    SER 101           HN       SER 101 -16.158  11.458   2.624
  799    HA   SER 101           HA       SER 101 -17.248  10.517   0.875
  800   1HB   SER 101          HB2       SER 101 -15.213  11.230  -0.404
  801   2HB   SER 101          HB1       SER 101 -14.508   9.644  -0.092
  802    HG   SER 101           HG       SER 101 -17.063   9.679  -1.209
  803    H    SER 102           HN       SER 102 -16.639   9.109   3.358
  804    HA   SER 102           HA       SER 102 -16.827   6.326   2.406
  805   1HB   SER 102          HB2       SER 102 -14.747   6.794   3.676
  806   2HB   SER 102          HB1       SER 102 -15.721   7.301   5.054
  807    HG   SER 102           HG       SER 102 -16.148   5.275   5.516
  808    H    ILE 103           HN       ILE 103 -18.473   5.099   3.156
  809    HA   ILE 103           HA       ILE 103 -20.649   6.430   4.512
  810    HB   ILE 103           HB       ILE 103 -20.428   3.546   3.619
  811   1HG1  ILE 103          HG12      ILE 103 -21.741   5.893   2.225
  812   2HG1  ILE 103          HG11      ILE 103 -20.211   5.164   1.749
  813   1HG2  ILE 103          HG21      ILE 103 -22.872   3.541   3.774
  814   2HG2  ILE 103          HG22      ILE 103 -22.834   5.195   4.383
  815   3HG2  ILE 103          HG23      ILE 103 -22.125   3.889   5.334
  816   1HD1  ILE 103          HD11      ILE 103 -21.349   3.073   1.253
  817   2HD1  ILE 103          HD12      ILE 103 -22.048   4.411   0.342
  818   3HD1  ILE 103          HD13      ILE 103 -22.884   3.779   1.761
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1  13.397   8.241 -14.940
    2   2H    MET   1           HT2      MET   1  14.649   7.289 -14.300
    3   3H    MET   1           HT3      MET   1  14.615   7.639 -15.953
    4    HA   MET   1           HA       MET   1  16.260   8.938 -14.706
    5   1HB   MET   1          HB2       MET   1  15.398   9.736 -16.837
    6   2HB   MET   1          HB1       MET   1  14.005  10.449 -16.038
    7   1HG   MET   1          HG2       MET   1  15.633  12.138 -16.623
    8   2HG   MET   1          HG1       MET   1  15.459  12.012 -14.873
    9   1HE   MET   1          HE1       MET   1  17.833  13.558 -16.177
   10   2HE   MET   1          HE2       MET   1  19.214  12.971 -15.247
   11   3HE   MET   1          HE3       MET   1  17.687  13.332 -14.438
   12    H    ALA   2           HN       ALA   2  13.171  10.676 -14.272
   13    HA   ALA   2           HA       ALA   2  14.172  11.745 -11.774
   14   1HB   ALA   2          HB1       ALA   2  11.519  12.225 -13.126
   15   2HB   ALA   2          HB2       ALA   2  12.981  13.177 -13.382
   16   3HB   ALA   2          HB3       ALA   2  12.207  13.159 -11.797
   17    H    THR   3           HN       THR   3  11.711   9.456 -12.814
   18    HA   THR   3           HA       THR   3  11.291   8.778  -9.977
   19    HB   THR   3           HB       THR   3   9.101   8.671 -12.055
   20    HG1  THR   3           HG1      THR   3   9.910  10.733 -10.306
   21   1HG2  THR   3          HG21      THR   3   8.795   7.150 -10.183
   22   2HG2  THR   3          HG22      THR   3   7.648   8.486 -10.064
   23   3HG2  THR   3          HG23      THR   3   9.086   8.460  -9.041
   24    H    GLU   4           HN       GLU   4  12.636   7.036 -10.036
   25    HA   GLU   4           HA       GLU   4  12.428   5.041 -12.106
   26   1HB   GLU   4          HB2       GLU   4  13.983   5.052  -9.511
   27   2HB   GLU   4          HB1       GLU   4  14.142   3.848 -10.782
   28   1HG   GLU   4          HG2       GLU   4  14.950   5.551 -12.314
   29   2HG   GLU   4          HG1       GLU   4  14.744   6.780 -11.065
   30    HA   PRO   5           HA       PRO   5   9.178   2.795  -9.992
   31   1HB   PRO   5          HB2       PRO   5   9.301   0.595 -11.615
   32   2HB   PRO   5          HB1       PRO   5   8.430   2.074 -12.034
   33   1HG   PRO   5          HG2       PRO   5  11.151   1.169 -12.879
   34   2HG   PRO   5          HG1       PRO   5   9.877   1.942 -13.842
   35   1HD   PRO   5          HD2       PRO   5  11.995   3.323 -12.908
   36   2HD   PRO   5          HD1       PRO   5  10.383   4.055 -13.047
   37    HA   PRO   6           HA       PRO   6  12.178   0.557  -7.449
   38   1HB   PRO   6          HB2       PRO   6   9.812   0.207  -5.728
   39   2HB   PRO   6          HB1       PRO   6  11.371   0.946  -5.356
   40   1HG   PRO   6          HG2       PRO   6   9.151   2.420  -5.637
   41   2HG   PRO   6          HG1       PRO   6  10.736   3.010  -6.167
   42   1HD   PRO   6          HD2       PRO   6   8.498   1.866  -7.793
   43   2HD   PRO   6          HD1       PRO   6   9.561   3.248  -8.151
   44    H    LYS   7           HN       LYS   7  12.239  -1.645  -6.530
   45    HA   LYS   7           HA       LYS   7  10.642  -3.444  -8.220
   46   1HB   LYS   7          HB2       LYS   7  13.294  -4.020  -6.872
   47   2HB   LYS   7          HB1       LYS   7  12.419  -5.098  -7.940
   48   1HG   LYS   7          HG2       LYS   7  13.559  -2.440  -8.780
   49   2HG   LYS   7          HG1       LYS   7  14.373  -3.991  -8.986
   50   1HD   LYS   7          HD2       LYS   7  13.393  -3.829 -11.034
   51   2HD   LYS   7          HD1       LYS   7  12.073  -4.607 -10.160
   52   1HE   LYS   7          HE2       LYS   7  11.147  -2.321  -9.712
   53   2HE   LYS   7          HE1       LYS   7  12.372  -1.679 -10.805
   54   1HZ   LYS   7          HZ1       LYS   7  11.443  -3.156 -12.546
   55   2HZ   LYS   7          HZ2       LYS   7  10.350  -1.979 -12.008
   56   3HZ   LYS   7          HZ3       LYS   7  10.198  -3.580 -11.475
   57    H    ILE   8           HN       ILE   8   8.887  -3.605  -6.878
   58    HA   ILE   8           HA       ILE   8   9.344  -3.926  -4.054
   59    HB   ILE   8           HB       ILE   8   6.649  -4.042  -5.402
   60   1HG1  ILE   8          HG12      ILE   8   7.830  -1.979  -6.137
   61   2HG1  ILE   8          HG11      ILE   8   6.466  -1.621  -5.085
   62   1HG2  ILE   8          HG21      ILE   8   5.910  -3.166  -3.215
   63   2HG2  ILE   8          HG22      ILE   8   7.581  -3.232  -2.648
   64   3HG2  ILE   8          HG23      ILE   8   6.733  -4.721  -3.071
   65   1HD1  ILE   8          HD11      ILE   8   8.382  -0.230  -4.559
   66   2HD1  ILE   8          HD12      ILE   8   9.358  -1.668  -4.260
   67   3HD1  ILE   8          HD13      ILE   8   7.989  -1.299  -3.212
   68    H    VAL   9           HN       VAL   9   9.576  -5.773  -3.107
   69    HA   VAL   9           HA       VAL   9   9.028  -8.255  -4.560
   70    HB   VAL   9           HB       VAL   9  10.607  -7.833  -2.017
   71   1HG1  VAL   9          HG11      VAL   9  10.511 -10.164  -3.928
   72   2HG1  VAL   9          HG12      VAL   9   9.843 -10.120  -2.295
   73   3HG1  VAL   9          HG13      VAL   9  11.587 -10.016  -2.536
   74   1HG2  VAL   9          HG21      VAL   9  11.542  -7.957  -4.871
   75   2HG2  VAL   9          HG22      VAL   9  12.599  -8.010  -3.458
   76   3HG2  VAL   9          HG23      VAL   9  11.625  -6.573  -3.781
   77    H    TRP  10           HN       TRP  10   7.542  -9.691  -3.875
   78    HA   TRP  10           HA       TRP  10   5.881  -8.881  -1.639
   79   1HB   TRP  10          HB2       TRP  10   4.727  -9.529  -3.632
   80   2HB   TRP  10          HB1       TRP  10   5.582 -11.070  -3.695
   81    HD1  TRP  10           HD1      TRP  10   3.995  -9.738  -0.458
   82    HE1  TRP  10           HE1      TRP  10   2.099 -11.320   0.244
   83    HE3  TRP  10           HE3      TRP  10   3.926 -12.769  -4.568
   84    HZ2  TRP  10           HZ2      TRP  10   0.741 -13.562  -0.817
   85    HZ3  TRP  10           HZ3      TRP  10   2.293 -14.604  -4.651
   86    HH2  TRP  10           HH2      TRP  10   0.734 -14.995  -2.815
   87    H    ASN  11           HN       ASN  11   6.383  -9.461   0.292
   88    HA   ASN  11           HA       ASN  11   7.887 -11.889   0.853
   89   1HB   ASN  11          HB2       ASN  11   8.375  -9.688   1.974
   90   2HB   ASN  11          HB1       ASN  11   6.813  -9.814   2.775
   91   1HD2  ASN  11          HD21      ASN  11   9.555  -9.726   3.788
   92   2HD2  ASN  11          HD22      ASN  11   9.728 -11.129   4.800
   93    H    GLU  12           HN       GLU  12   6.416 -13.503   0.380
   94    HA   GLU  12           HA       GLU  12   3.684 -13.414   0.952
   95   1HB   GLU  12          HB2       GLU  12   3.619 -15.755   0.374
   96   2HB   GLU  12          HB1       GLU  12   4.708 -14.917  -0.722
   97   1HG   GLU  12          HG2       GLU  12   6.625 -15.777   0.445
   98   2HG   GLU  12          HG1       GLU  12   5.597 -16.501   1.679
   99    H    GLY  13           HN       GLY  13   6.388 -14.419   2.958
  100   1HA   GLY  13          HA2       GLY  13   4.856 -16.036   4.738
  101   2HA   GLY  13          HA1       GLY  13   6.459 -15.384   5.050
  102    H    LYS  14           HN       LYS  14   5.564 -12.641   4.556
  103    HA   LYS  14           HA       LYS  14   4.313 -12.198   7.174
  104   1HB   LYS  14          HB2       LYS  14   6.069 -10.467   5.440
  105   2HB   LYS  14          HB1       LYS  14   5.167  -9.812   6.795
  106   1HG   LYS  14          HG2       LYS  14   7.468 -10.252   7.404
  107   2HG   LYS  14          HG1       LYS  14   6.368 -11.280   8.323
  108   1HD   LYS  14          HD2       LYS  14   6.891 -13.177   6.941
  109   2HD   LYS  14          HD1       LYS  14   7.828 -12.171   5.835
  110   1HE   LYS  14          HE2       LYS  14   9.462 -11.750   7.536
  111   2HE   LYS  14          HE1       LYS  14   8.500 -12.605   8.740
  112   1HZ   LYS  14          HZ1       LYS  14   8.807 -14.641   7.419
  113   2HZ   LYS  14          HZ2       LYS  14  10.279 -13.997   7.962
  114   3HZ   LYS  14          HZ3       LYS  14   9.808 -13.789   6.344
  115    H    ARG  15           HN       ARG  15   3.453 -12.413   4.046
  116    HA   ARG  15           HA       ARG  15   1.881 -11.531   2.653
  117   1HB   ARG  15          HB2       ARG  15   0.477 -10.631   5.172
  118   2HB   ARG  15          HB1       ARG  15  -0.248 -10.964   3.607
  119   1HG   ARG  15          HG2       ARG  15   0.201 -13.323   3.861
  120   2HG   ARG  15          HG1       ARG  15   1.045 -13.020   5.384
  121   1HD   ARG  15          HD2       ARG  15  -1.878 -12.657   4.772
  122   2HD   ARG  15          HD1       ARG  15  -1.142 -13.738   5.958
  123    HE   ARG  15           HE       ARG  15  -0.691 -10.887   6.331
  124   1HH1  ARG  15          HH11      ARG  15  -2.560 -13.717   7.233
  125   2HH1  ARG  15          HH12      ARG  15  -3.098 -13.025   8.739
  126   1HH2  ARG  15          HH21      ARG  15  -1.426  -9.986   8.287
  127   2HH2  ARG  15          HH22      ARG  15  -2.493 -10.894   9.315
  128    H    ARG  16           HN       ARG  16   3.892  -9.927   2.556
  129    HA   ARG  16           HA       ARG  16   2.750  -7.255   2.656
  130   1HB   ARG  16          HB2       ARG  16   4.307  -6.317   4.110
  131   2HB   ARG  16          HB1       ARG  16   3.916  -7.852   4.863
  132   1HG   ARG  16          HG2       ARG  16   5.972  -8.818   4.107
  133   2HG   ARG  16          HG1       ARG  16   6.344  -7.372   3.160
  134   1HD   ARG  16          HD2       ARG  16   6.316  -6.059   5.264
  135   2HD   ARG  16          HD1       ARG  16   6.112  -7.563   6.157
  136    HE   ARG  16           HE       ARG  16   8.404  -7.652   4.457
  137   1HH1  ARG  16          HH11      ARG  16   7.208  -6.367   7.490
  138   2HH1  ARG  16          HH12      ARG  16   8.784  -6.330   8.234
  139   1HH2  ARG  16          HH21      ARG  16  10.470  -7.565   5.406
  140   2HH2  ARG  16          HH22      ARG  16  10.648  -6.973   7.033
  141    H    PHE  17           HN       PHE  17   4.178  -5.634   1.612
  142    HA   PHE  17           HA       PHE  17   5.876  -6.904  -0.440
  143   1HB   PHE  17          HB2       PHE  17   4.487  -4.226  -0.639
  144   2HB   PHE  17          HB1       PHE  17   5.401  -5.032  -1.907
  145    HD1  PHE  17           HD1      PHE  17   2.206  -4.333  -0.741
  146    HD2  PHE  17           HD2      PHE  17   4.509  -7.489  -2.436
  147    HE1  PHE  17           HE1      PHE  17   0.139  -5.406  -1.530
  148    HE2  PHE  17           HE2      PHE  17   2.441  -8.563  -3.233
  149    HZ   PHE  17           HZ       PHE  17   0.251  -7.502  -2.795
  150    H    GLU  18           HN       GLU  18   7.912  -6.232  -0.675
  151    HA   GLU  18           HA       GLU  18   8.888  -4.099   1.110
  152   1HB   GLU  18          HB2       GLU  18   9.805  -6.847   0.581
  153   2HB   GLU  18          HB1       GLU  18  11.078  -5.640   0.647
  154   1HG   GLU  18          HG2       GLU  18  10.525  -5.054   2.858
  155   2HG   GLU  18          HG1       GLU  18   9.003  -5.944   2.790
  156    H    THR  19           HN       THR  19  10.127  -2.522   0.214
  157    HA   THR  19           HA       THR  19  10.258  -2.330  -2.619
  158    HB   THR  19           HB       THR  19  10.212  -0.348  -1.089
  159    HG1  THR  19           HG1      THR  19  10.915   0.362  -2.983
  160   1HG2  THR  19          HG21      THR  19  12.364   0.380  -0.096
  161   2HG2  THR  19          HG22      THR  19  13.039  -1.201  -0.500
  162   3HG2  THR  19          HG23      THR  19  11.700  -1.077   0.639
  163    H    GLU  20           HN       GLU  20  12.499  -1.856  -3.677
  164    HA   GLU  20           HA       GLU  20  13.995  -4.260  -3.623
  165   1HB   GLU  20          HB2       GLU  20  15.459  -3.139  -5.238
  166   2HB   GLU  20          HB1       GLU  20  13.766  -2.896  -5.633
  167   1HG   GLU  20          HG2       GLU  20  13.850  -0.663  -4.645
  168   2HG   GLU  20          HG1       GLU  20  15.560  -0.902  -4.283
  169    H    ASP  21           HN       ASP  21  13.910  -1.903  -1.475
  170    HA   ASP  21           HA       ASP  21  16.756  -1.977  -0.788
  171   1HB   ASP  21          HB2       ASP  21  16.242   0.250  -1.052
  172   2HB   ASP  21          HB1       ASP  21  14.581   0.041  -0.530
  173    H    HIS  22           HN       HIS  22  13.582  -2.809   0.183
  174    HA   HIS  22           HA       HIS  22  12.772  -4.233   1.713
  175   1HB   HIS  22          HB2       HIS  22  15.688  -4.856   2.097
  176   2HB   HIS  22          HB1       HIS  22  14.408  -5.700   2.965
  177    HD1  HIS  22           HD1      HIS  22  12.967  -7.356   1.657
  178    HD2  HIS  22           HD2      HIS  22  15.843  -5.435  -0.657
  179    HE1  HIS  22           HE1      HIS  22  13.024  -8.601  -0.534
  180    HE2  HIS  22           HE2      HIS  22  14.851  -7.490  -1.878
  181    H    GLU  23           HN       GLU  23  14.709  -1.635   2.700
  182    HA   GLU  23           HA       GLU  23  14.136  -1.955   5.517
  183   1HB   GLU  23          HB2       GLU  23  15.091   0.539   4.096
  184   2HB   GLU  23          HB1       GLU  23  15.250   0.152   5.807
  185   1HG   GLU  23          HG2       GLU  23  16.726  -1.730   5.208
  186   2HG   GLU  23          HG1       GLU  23  16.617  -1.244   3.517
  187    H    ALA  24           HN       ALA  24  12.622  -0.839   2.738
  188    HA   ALA  24           HA       ALA  24  10.460   0.405   4.294
  189   1HB   ALA  24          HB1       ALA  24  11.454   1.924   2.646
  190   2HB   ALA  24          HB2       ALA  24   9.785   1.529   2.232
  191   3HB   ALA  24          HB3       ALA  24  11.115   0.757   1.369
  192    H    PHE  25           HN       PHE  25   8.472  -0.497   4.194
  193    HA   PHE  25           HA       PHE  25   7.789  -2.490   2.226
  194   1HB   PHE  25          HB2       PHE  25   7.370  -4.266   3.920
  195   2HB   PHE  25          HB1       PHE  25   9.079  -3.918   3.669
  196    HD1  PHE  25           HD1      PHE  25   6.241  -3.578   5.979
  197    HD2  PHE  25           HD2      PHE  25  10.423  -3.011   5.432
  198    HE1  PHE  25           HE1      PHE  25   6.507  -3.226   8.400
  199    HE2  PHE  25           HE2      PHE  25  10.693  -2.663   7.849
  200    HZ   PHE  25           HZ       PHE  25   8.735  -2.768   9.336
  201    H    ILE  26           HN       ILE  26   5.627  -3.384   2.612
  202    HA   ILE  26           HA       ILE  26   3.993  -1.891   4.525
  203    HB   ILE  26           HB       ILE  26   3.893  -1.355   1.807
  204   1HG1  ILE  26          HG12      ILE  26   1.910  -0.954   4.032
  205   2HG1  ILE  26          HG11      ILE  26   3.163   0.150   3.472
  206   1HG2  ILE  26          HG21      ILE  26   1.526  -3.108   2.479
  207   2HG2  ILE  26          HG22      ILE  26   2.790  -3.474   1.304
  208   3HG2  ILE  26          HG23      ILE  26   1.696  -2.119   1.028
  209   1HD1  ILE  26          HD11      ILE  26   0.685  -0.644   1.970
  210   2HD1  ILE  26          HD12      ILE  26   1.956   0.416   1.359
  211   3HD1  ILE  26          HD13      ILE  26   0.993   0.907   2.753
  212    H    GLU  27           HN       GLU  27   2.617  -3.192   5.649
  213    HA   GLU  27           HA       GLU  27   2.534  -6.022   4.869
  214   1HB   GLU  27          HB2       GLU  27   2.147  -4.551   7.431
  215   2HB   GLU  27          HB1       GLU  27   1.236  -6.037   7.207
  216   1HG   GLU  27          HG2       GLU  27   3.016  -7.090   8.004
  217   2HG   GLU  27          HG1       GLU  27   3.783  -6.752   6.456
  218    H    TYR  28           HN       TYR  28   0.396  -7.146   5.259
  219    HA   TYR  28           HA       TYR  28  -1.961  -5.543   5.369
  220   1HB   TYR  28          HB2       TYR  28  -2.895  -6.005   3.200
  221   2HB   TYR  28          HB1       TYR  28  -1.304  -5.309   2.948
  222    HD1  TYR  28           HD1      TYR  28  -3.230  -8.475   2.854
  223    HD2  TYR  28           HD2      TYR  28   0.385  -6.504   1.772
  224    HE1  TYR  28           HE1      TYR  28  -2.641 -10.369   1.403
  225    HE2  TYR  28           HE2      TYR  28   0.986  -8.400   0.322
  226    HH   TYR  28           HH       TYR  28  -1.206 -10.797  -0.594
  227    H    LYS  29           HN       LYS  29  -3.932  -6.875   5.179
  228    HA   LYS  29           HA       LYS  29  -3.582  -9.707   5.748
  229   1HB   LYS  29          HB2       LYS  29  -5.178  -9.245   7.793
  230   2HB   LYS  29          HB1       LYS  29  -3.431  -9.093   7.960
  231   1HG   LYS  29          HG2       LYS  29  -3.784  -6.632   7.353
  232   2HG   LYS  29          HG1       LYS  29  -5.486  -6.931   7.691
  233   1HD   LYS  29          HD2       LYS  29  -4.023  -5.995   9.541
  234   2HD   LYS  29          HD1       LYS  29  -5.082  -7.347   9.952
  235   1HE   LYS  29          HE2       LYS  29  -3.183  -8.877   9.719
  236   2HE   LYS  29          HE1       LYS  29  -2.138  -7.524   9.286
  237   1HZ   LYS  29          HZ1       LYS  29  -2.040  -8.295  11.665
  238   2HZ   LYS  29          HZ2       LYS  29  -3.596  -7.646  11.868
  239   3HZ   LYS  29          HZ3       LYS  29  -2.299  -6.639  11.439
  240    H    MET  30           HN       MET  30  -5.224 -10.871   4.914
  241    HA   MET  30           HA       MET  30  -7.326  -9.426   3.536
  242   1HB   MET  30          HB2       MET  30  -6.784 -12.410   3.709
  243   2HB   MET  30          HB1       MET  30  -7.886 -11.619   2.589
  244   1HG   MET  30          HG2       MET  30  -6.070 -10.521   1.481
  245   2HG   MET  30          HG1       MET  30  -4.924 -11.116   2.680
  246   1HE   MET  30          HE1       MET  30  -7.308 -12.051  -0.275
  247   2HE   MET  30          HE2       MET  30  -7.913 -13.106   1.003
  248   3HE   MET  30          HE3       MET  30  -7.088 -13.796  -0.395
  249    H    ARG  31           HN       ARG  31  -9.006  -8.805   4.642
  250    HA   ARG  31           HA       ARG  31  -9.955 -10.317   6.974
  251   1HB   ARG  31          HB2       ARG  31 -10.455  -7.489   6.017
  252   2HB   ARG  31          HB1       ARG  31 -11.274  -8.204   7.397
  253   1HG   ARG  31          HG2       ARG  31  -9.238  -8.356   8.624
  254   2HG   ARG  31          HG1       ARG  31  -8.281  -7.940   7.201
  255   1HD   ARG  31          HD2       ARG  31  -8.522  -6.044   8.755
  256   2HD   ARG  31          HD1       ARG  31  -9.223  -5.710   7.173
  257    HE   ARG  31           HE       ARG  31 -11.162  -6.726   8.994
  258   1HH1  ARG  31          HH11      ARG  31  -9.377  -3.809   8.182
  259   2HH1  ARG  31          HH12      ARG  31 -10.630  -2.743   8.762
  260   1HH2  ARG  31          HH21      ARG  31 -12.802  -5.321   9.741
  261   2HH2  ARG  31          HH22      ARG  31 -12.570  -3.599   9.642
  262    H    ASN  32           HN       ASN  32 -12.380 -10.303   7.253
  263    HA   ASN  32           HA       ASN  32 -14.498 -10.757   6.561
  264   1HB   ASN  32          HB2       ASN  32 -14.130  -8.437   5.531
  265   2HB   ASN  32          HB1       ASN  32 -13.829  -9.274   4.012
  266   1HD2  ASN  32          HD21      ASN  32 -15.596  -8.172   3.129
  267   2HD2  ASN  32          HD22      ASN  32 -17.220  -8.670   3.455
  268    H    ASN  33           HN       ASN  33 -12.797 -12.796   6.257
  269    HA   ASN  33           HA       ASN  33 -12.497 -14.808   5.256
  270   1HB   ASN  33          HB2       ASN  33 -14.885 -13.881   3.673
  271   2HB   ASN  33          HB1       ASN  33 -14.108 -15.428   3.360
  272   1HD2  ASN  33          HD21      ASN  33 -16.790 -14.796   4.335
  273   2HD2  ASN  33          HD22      ASN  33 -16.954 -15.652   5.832
  274    H    GLY  34           HN       GLY  34 -11.338 -12.206   4.235
  275   1HA   GLY  34          HA2       GLY  34  -9.470 -11.965   2.873
  276   2HA   GLY  34          HA1       GLY  34  -9.886 -13.462   2.061
  277    H    LYS  35           HN       LYS  35 -12.369 -11.112   2.458
  278    HA   LYS  35           HA       LYS  35 -12.320 -10.589  -0.415
  279   1HB   LYS  35          HB2       LYS  35 -14.381  -9.766   1.637
  280   2HB   LYS  35          HB1       LYS  35 -14.543  -9.648  -0.111
  281   1HG   LYS  35          HG2       LYS  35 -14.329 -12.170   1.512
  282   2HG   LYS  35          HG1       LYS  35 -15.773 -11.549   0.707
  283   1HD   LYS  35          HD2       LYS  35 -14.705 -11.819  -1.462
  284   2HD   LYS  35          HD1       LYS  35 -13.228 -12.386  -0.683
  285   1HE   LYS  35          HE2       LYS  35 -14.524 -14.256  -1.539
  286   2HE   LYS  35          HE1       LYS  35 -14.440 -14.304   0.221
  287   1HZ   LYS  35          HZ1       LYS  35 -16.654 -13.435   0.357
  288   2HZ   LYS  35          HZ2       LYS  35 -16.667 -14.788  -0.668
  289   3HZ   LYS  35          HZ3       LYS  35 -16.733 -13.227  -1.324
  290    H    VAL  36           HN       VAL  36 -11.384  -9.144   2.501
  291    HA   VAL  36           HA       VAL  36 -11.013  -6.570   1.127
  292    HB   VAL  36           HB       VAL  36 -11.689  -6.985   4.043
  293   1HG1  VAL  36          HG11      VAL  36 -11.081  -4.441   2.534
  294   2HG1  VAL  36          HG12      VAL  36 -10.104  -5.162   3.813
  295   3HG1  VAL  36          HG13      VAL  36 -11.703  -4.518   4.182
  296   1HG2  VAL  36          HG21      VAL  36 -13.241  -5.636   1.837
  297   2HG2  VAL  36          HG22      VAL  36 -13.727  -5.745   3.529
  298   3HG2  VAL  36          HG23      VAL  36 -13.612  -7.207   2.551
  299    H    MET  37           HN       MET  37  -8.950  -6.030   0.926
  300    HA   MET  37           HA       MET  37  -6.982  -7.364   2.618
  301   1HB   MET  37          HB2       MET  37  -6.798  -5.798   0.058
  302   2HB   MET  37          HB1       MET  37  -5.364  -6.125   1.031
  303   1HG   MET  37          HG2       MET  37  -5.921  -8.555   0.883
  304   2HG   MET  37          HG1       MET  37  -7.194  -8.132  -0.259
  305   1HE   MET  37          HE1       MET  37  -6.051  -9.893  -1.949
  306   2HE   MET  37          HE2       MET  37  -4.773 -10.196  -0.773
  307   3HE   MET  37          HE3       MET  37  -4.360  -9.799  -2.441
  308    H    ASP  38           HN       ASP  38  -6.517  -6.441   4.447
  309    HA   ASP  38           HA       ASP  38  -6.800  -3.567   4.768
  310   1HB   ASP  38          HB2       ASP  38  -7.499  -5.378   6.476
  311   2HB   ASP  38          HB1       ASP  38  -5.783  -5.514   6.834
  312    H    LEU  39           HN       LEU  39  -5.197  -2.418   3.988
  313    HA   LEU  39           HA       LEU  39  -2.498  -3.431   3.849
  314   1HB   LEU  39          HB2       LEU  39  -3.833  -0.871   2.996
  315   2HB   LEU  39          HB1       LEU  39  -2.086  -1.011   2.996
  316    HG   LEU  39           HG       LEU  39  -2.106  -2.643   1.297
  317   1HD1  LEU  39          HD11      LEU  39  -3.952  -4.022   2.072
  318   2HD1  LEU  39          HD12      LEU  39  -4.121  -3.628   0.362
  319   3HD1  LEU  39          HD13      LEU  39  -5.096  -2.781   1.563
  320   1HD2  LEU  39          HD21      LEU  39  -3.284  -1.499  -0.519
  321   2HD2  LEU  39          HD22      LEU  39  -2.445  -0.359   0.533
  322   3HD2  LEU  39          HD23      LEU  39  -4.191  -0.563   0.668
  323    H    VAL  40           HN       VAL  40  -1.251  -3.409   5.579
  324    HA   VAL  40           HA       VAL  40  -1.869  -1.426   7.666
  325    HB   VAL  40           HB       VAL  40  -0.617  -4.146   8.080
  326   1HG1  VAL  40          HG11      VAL  40  -1.202  -3.753  10.433
  327   2HG1  VAL  40          HG12      VAL  40  -1.788  -2.146  10.005
  328   3HG1  VAL  40          HG13      VAL  40  -0.081  -2.543   9.812
  329   1HG2  VAL  40          HG21      VAL  40  -2.774  -4.891   8.911
  330   2HG2  VAL  40          HG22      VAL  40  -2.897  -4.384   7.226
  331   3HG2  VAL  40          HG23      VAL  40  -3.483  -3.328   8.511
  332    H    HIS  41           HN       HIS  41  -0.320   0.080   7.804
  333    HA   HIS  41           HA       HIS  41   1.656   0.873   8.583
  334   1HB   HIS  41          HB2       HIS  41   1.798  -1.319   9.818
  335   2HB   HIS  41          HB1       HIS  41   2.709  -1.955   8.458
  336    HD1  HIS  41           HD1      HIS  41   3.187  -0.525  11.670
  337    HD2  HIS  41           HD2      HIS  41   5.200  -0.269   8.040
  338    HE1  HIS  41           HE1      HIS  41   5.514   0.240  12.242
  339    HE2  HIS  41           HE2      HIS  41   6.776   0.090  10.066
  340    H    THR  42           HN       THR  42   2.062   2.084   6.791
  341    HA   THR  42           HA       THR  42   3.827   0.988   4.763
  342    HB   THR  42           HB       THR  42   2.150   2.733   4.102
  343    HG1  THR  42           HG1      THR  42   3.547   3.289   2.634
  344   1HG2  THR  42          HG21      THR  42   3.841   4.519   5.863
  345   2HG2  THR  42          HG22      THR  42   2.148   4.088   6.121
  346   3HG2  THR  42          HG23      THR  42   2.601   5.083   4.737
  347    H    TYR  43           HN       TYR  43   6.030   1.175   4.861
  348    HA   TYR  43           HA       TYR  43   7.105   3.149   6.723
  349   1HB   TYR  43          HB2       TYR  43   6.985   0.820   7.797
  350   2HB   TYR  43          HB1       TYR  43   8.269   0.372   6.672
  351    HD1  TYR  43           HD1      TYR  43   7.579   3.356   8.842
  352    HD2  TYR  43           HD2      TYR  43  10.316   0.338   7.638
  353    HE1  TYR  43           HE1      TYR  43   9.258   4.268  10.393
  354    HE2  TYR  43           HE2      TYR  43  12.000   1.228   9.168
  355    HH   TYR  43           HH       TYR  43  12.547   3.288  10.332
  356    H    VAL  44           HN       VAL  44   9.016   4.018   6.163
  357    HA   VAL  44           HA       VAL  44  10.603   2.986   4.002
  358    HB   VAL  44           HB       VAL  44   8.738   4.081   2.784
  359   1HG1  VAL  44          HG11      VAL  44   9.687   6.588   4.160
  360   2HG1  VAL  44          HG12      VAL  44   8.124   5.798   4.358
  361   3HG1  VAL  44          HG13      VAL  44   8.546   6.538   2.815
  362   1HG2  VAL  44          HG21      VAL  44  11.395   5.474   2.521
  363   2HG2  VAL  44          HG22      VAL  44  10.119   5.454   1.302
  364   3HG2  VAL  44          HG23      VAL  44  10.928   3.955   1.758
  365    HA   PRO  45           HA       PRO  45  13.511   5.236   6.564
  366   1HB   PRO  45          HB2       PRO  45  15.391   4.878   4.330
  367   2HB   PRO  45          HB1       PRO  45  15.489   4.276   5.987
  368   1HG   PRO  45          HG2       PRO  45  15.005   2.638   3.920
  369   2HG   PRO  45          HG1       PRO  45  14.263   2.381   5.512
  370   1HD   PRO  45          HD2       PRO  45  13.075   3.592   3.040
  371   2HD   PRO  45          HD1       PRO  45  12.355   2.444   4.190
  372    H    SER  46           HN       SER  46  15.077   7.042   6.328
  373    HA   SER  46           HA       SER  46  13.825   9.322   5.338
  374   1HB   SER  46          HB2       SER  46  16.262  10.253   5.731
  375   2HB   SER  46          HB1       SER  46  15.277   9.710   7.092
  376    HG   SER  46           HG       SER  46  17.174   8.659   7.360
  377    H    PHE  47           HN       PHE  47  15.968   7.123   3.784
  378    HA   PHE  47           HA       PHE  47  17.038   8.722   1.745
  379   1HB   PHE  47          HB2       PHE  47  17.713   6.362   2.383
  380   2HB   PHE  47          HB1       PHE  47  16.284   5.805   1.528
  381    HD1  PHE  47           HD1      PHE  47  16.176   5.880  -0.897
  382    HD2  PHE  47           HD2      PHE  47  19.637   7.201   1.196
  383    HE1  PHE  47           HE1      PHE  47  17.466   5.801  -2.990
  384    HE2  PHE  47           HE2      PHE  47  20.933   7.120  -0.891
  385    HZ   PHE  47           HZ       PHE  47  19.848   6.421  -2.990
  386    H    LYS  48           HN       LYS  48  13.880   7.237   2.114
  387    HA   LYS  48           HA       LYS  48  13.123   8.207  -0.563
  388   1HB   LYS  48          HB2       LYS  48  12.458   5.483   0.572
  389   2HB   LYS  48          HB1       LYS  48  11.851   6.130  -0.945
  390   1HG   LYS  48          HG2       LYS  48  14.068   6.138  -1.879
  391   2HG   LYS  48          HG1       LYS  48  14.754   5.631  -0.335
  392   1HD   LYS  48          HD2       LYS  48  12.725   4.017  -1.871
  393   2HD   LYS  48          HD1       LYS  48  14.466   3.800  -2.029
  394   1HE   LYS  48          HE2       LYS  48  12.910   3.544   0.542
  395   2HE   LYS  48          HE1       LYS  48  13.420   2.191  -0.466
  396   1HZ   LYS  48          HZ1       LYS  48  14.981   2.427   1.291
  397   2HZ   LYS  48          HZ2       LYS  48  15.167   4.084   1.006
  398   3HZ   LYS  48          HZ3       LYS  48  15.748   2.968  -0.124
  399    H    ARG  49           HN       ARG  49  12.600   8.918   2.392
  400    HA   ARG  49           HA       ARG  49   9.969   8.200   3.046
  401   1HB   ARG  49          HB2       ARG  49  10.088  10.152   4.640
  402   2HB   ARG  49          HB1       ARG  49  11.365   8.956   4.799
  403   1HG   ARG  49          HG2       ARG  49  12.899  10.398   3.592
  404   2HG   ARG  49          HG1       ARG  49  11.613  11.594   3.368
  405   1HD   ARG  49          HD2       ARG  49  11.429  11.827   5.804
  406   2HD   ARG  49          HD1       ARG  49  12.737  10.662   6.006
  407    HE   ARG  49           HE       ARG  49  13.359  13.003   4.406
  408   1HH1  ARG  49          HH11      ARG  49  13.460  11.447   7.543
  409   2HH1  ARG  49          HH12      ARG  49  14.701  12.499   8.168
  410   1HH2  ARG  49          HH21      ARG  49  14.989  14.400   5.230
  411   2HH2  ARG  49          HH22      ARG  49  15.550  14.185   6.861
  412    H    GLY  50           HN       GLY  50  11.192  11.216   1.572
  413   1HA   GLY  50          HA2       GLY  50   8.406  11.957   0.987
  414   2HA   GLY  50          HA1       GLY  50   9.790  13.042   0.928
  415    H    LEU  51           HN       LEU  51  10.010   9.877  -0.432
  416    HA   LEU  51           HA       LEU  51  10.413  11.082  -3.059
  417   1HB   LEU  51          HB2       LEU  51  12.070   9.479  -2.059
  418   2HB   LEU  51          HB1       LEU  51  10.853   8.224  -2.214
  419    HG   LEU  51           HG       LEU  51  10.855   8.542  -4.665
  420   1HD1  LEU  51          HD11      LEU  51  13.127  10.443  -4.102
  421   2HD1  LEU  51          HD12      LEU  51  11.546  10.867  -4.758
  422   3HD1  LEU  51          HD13      LEU  51  12.648   9.860  -5.694
  423   1HD2  LEU  51          HD21      LEU  51  12.248   6.821  -3.666
  424   2HD2  LEU  51          HD22      LEU  51  13.554   7.984  -3.436
  425   3HD2  LEU  51          HD23      LEU  51  13.052   7.530  -5.066
  426    H    GLY  52           HN       GLY  52   8.120   9.102  -1.342
  427   1HA   GLY  52          HA2       GLY  52   5.899   8.979  -2.436
  428   2HA   GLY  52          HA1       GLY  52   6.765   8.612  -3.920
  429    H    LEU  53           HN       LEU  53   8.636   6.940  -2.177
  430    HA   LEU  53           HA       LEU  53   7.762   4.507  -3.130
  431   1HB   LEU  53          HB2       LEU  53  10.081   5.086  -2.394
  432   2HB   LEU  53          HB1       LEU  53   9.543   4.950  -0.734
  433    HG   LEU  53           HG       LEU  53  10.834   2.984  -1.759
  434   1HD1  LEU  53          HD11      LEU  53   9.559   1.345  -0.516
  435   2HD1  LEU  53          HD12      LEU  53   8.167   2.429  -0.470
  436   3HD1  LEU  53          HD13      LEU  53   9.651   2.861   0.382
  437   1HD2  LEU  53          HD21      LEU  53   9.469   1.358  -2.968
  438   2HD2  LEU  53          HD22      LEU  53   9.625   2.871  -3.861
  439   3HD2  LEU  53          HD23      LEU  53   8.129   2.506  -3.000
  440    H    ALA  54           HN       ALA  54   7.289   5.839   0.141
  441    HA   ALA  54           HA       ALA  54   6.158   3.652   1.390
  442   1HB   ALA  54          HB1       ALA  54   5.061   5.248   2.881
  443   2HB   ALA  54          HB2       ALA  54   5.388   6.549   1.735
  444   3HB   ALA  54          HB3       ALA  54   6.724   5.728   2.543
  445    H    SER  55           HN       SER  55   4.480   6.198  -0.402
  446    HA   SER  55           HA       SER  55   1.923   5.055  -0.295
  447   1HB   SER  55          HB2       SER  55   3.067   6.965  -2.344
  448   2HB   SER  55          HB1       SER  55   1.354   6.679  -2.032
  449    HG   SER  55           HG       SER  55   2.551   8.543  -0.953
  450    H    HIS  56           HN       HIS  56   4.610   4.577  -2.504
  451    HA   HIS  56           HA       HIS  56   3.158   3.261  -4.553
  452   1HB   HIS  56          HB2       HIS  56   6.065   3.297  -3.796
  453   2HB   HIS  56          HB1       HIS  56   5.484   2.175  -5.017
  454    HD1  HIS  56           HD1      HIS  56   5.893   3.047  -7.282
  455    HD2  HIS  56           HD2      HIS  56   4.991   6.095  -4.588
  456    HE1  HIS  56           HE1      HIS  56   5.970   5.184  -8.614
  457    HE2  HIS  56           HE2      HIS  56   5.378   7.016  -6.981
  458    H    LEU  57           HN       LEU  57   4.508   2.198  -1.518
  459    HA   LEU  57           HA       LEU  57   4.284  -0.594  -1.946
  460   1HB   LEU  57          HB2       LEU  57   4.042   0.926   0.661
  461   2HB   LEU  57          HB1       LEU  57   4.389  -0.784   0.484
  462    HG   LEU  57           HG       LEU  57   6.209   1.366  -0.587
  463   1HD1  LEU  57          HD11      LEU  57   6.334  -0.080   2.055
  464   2HD1  LEU  57          HD12      LEU  57   6.012   1.638   1.820
  465   3HD1  LEU  57          HD13      LEU  57   7.588   0.969   1.396
  466   1HD2  LEU  57          HD21      LEU  57   6.627  -1.565  -0.001
  467   2HD2  LEU  57          HD22      LEU  57   7.853  -0.444  -0.590
  468   3HD2  LEU  57          HD23      LEU  57   6.464  -0.839  -1.601
  469    H    CYS  58           HN       CYS  58   2.118   1.845  -0.615
  470    HA   CYS  58           HA       CYS  58  -0.061   0.154  -0.043
  471   1HB   CYS  58          HB2       CYS  58   0.210   2.493   0.788
  472   2HB   CYS  58          HB1       CYS  58  -0.141   3.074  -0.841
  473    HG   CYS  58           HG       CYS  58  -2.685   1.443  -0.581
  474    H    VAL  59           HN       VAL  59   0.833   1.977  -2.929
  475    HA   VAL  59           HA       VAL  59  -1.453   1.454  -4.466
  476    HB   VAL  59           HB       VAL  59   1.392   1.996  -5.319
  477   1HG1  VAL  59          HG11      VAL  59   0.241   0.859  -7.133
  478   2HG1  VAL  59          HG12      VAL  59   0.466   2.564  -7.525
  479   3HG1  VAL  59          HG13      VAL  59  -1.114   1.979  -7.000
  480   1HG2  VAL  59          HG21      VAL  59   0.334   3.794  -4.067
  481   2HG2  VAL  59          HG22      VAL  59  -1.036   3.773  -5.178
  482   3HG2  VAL  59          HG23      VAL  59   0.560   4.248  -5.756
  483    H    ALA  60           HN       ALA  60   1.531  -0.405  -4.033
  484    HA   ALA  60           HA       ALA  60   1.044  -2.284  -6.078
  485   1HB   ALA  60          HB1       ALA  60   3.240  -1.968  -5.029
  486   2HB   ALA  60          HB2       ALA  60   2.732  -3.656  -4.988
  487   3HB   ALA  60          HB3       ALA  60   2.622  -2.665  -3.532
  488    H    ALA  61           HN       ALA  61  -0.010  -2.187  -2.682
  489    HA   ALA  61           HA       ALA  61  -1.134  -4.805  -2.776
  490   1HB   ALA  61          HB1       ALA  61  -0.572  -3.732  -0.663
  491   2HB   ALA  61          HB2       ALA  61  -2.281  -4.167  -0.716
  492   3HB   ALA  61          HB3       ALA  61  -1.787  -2.490  -0.960
  493    H    PHE  62           HN       PHE  62  -2.260  -1.548  -3.473
  494    HA   PHE  62           HA       PHE  62  -4.951  -2.113  -4.001
  495   1HB   PHE  62          HB2       PHE  62  -3.068  -0.053  -5.139
  496   2HB   PHE  62          HB1       PHE  62  -4.735  -0.177  -5.680
  497    HD1  PHE  62           HD1      PHE  62  -6.148  -0.680  -3.177
  498    HD2  PHE  62           HD2      PHE  62  -2.930   1.964  -4.020
  499    HE1  PHE  62           HE1      PHE  62  -6.896   0.805  -1.362
  500    HE2  PHE  62           HE2      PHE  62  -3.669   3.459  -2.205
  501    HZ   PHE  62           HZ       PHE  62  -5.651   2.869  -0.868
  502    H    GLU  63           HN       GLU  63  -2.145  -2.068  -6.195
  503    HA   GLU  63           HA       GLU  63  -3.405  -2.751  -8.568
  504   1HB   GLU  63          HB2       GLU  63  -0.696  -3.764  -7.693
  505   2HB   GLU  63          HB1       GLU  63  -1.262  -3.583  -9.345
  506   1HG   GLU  63          HG2       GLU  63  -1.385  -1.121  -8.935
  507   2HG   GLU  63          HG1       GLU  63  -0.607  -1.405  -7.382
  508    H    HIS  64           HN       HIS  64  -2.377  -4.777  -5.917
  509    HA   HIS  64           HA       HIS  64  -2.641  -7.243  -7.317
  510   1HB   HIS  64          HB2       HIS  64  -1.168  -6.827  -5.313
  511   2HB   HIS  64          HB1       HIS  64  -2.627  -6.831  -4.328
  512    HD1  HIS  64           HD1      HIS  64  -0.497  -9.109  -6.460
  513    HD2  HIS  64           HD2      HIS  64  -3.614  -9.352  -3.710
  514    HE1  HIS  64           HE1      HIS  64  -0.743 -11.549  -5.924
  515    HE2  HIS  64           HE2      HIS  64  -2.762 -11.686  -4.436
  516    H    ALA  65           HN       ALA  65  -4.618  -5.595  -4.864
  517    HA   ALA  65           HA       ALA  65  -6.608  -7.630  -4.834
  518   1HB   ALA  65          HB1       ALA  65  -6.785  -4.801  -3.828
  519   2HB   ALA  65          HB2       ALA  65  -6.175  -6.182  -2.916
  520   3HB   ALA  65          HB3       ALA  65  -7.865  -6.131  -3.414
  521    H    SER  66           HN       SER  66  -6.500  -4.359  -6.272
  522    HA   SER  66           HA       SER  66  -9.063  -4.231  -7.276
  523   1HB   SER  66          HB2       SER  66  -8.118  -2.725  -9.046
  524   2HB   SER  66          HB1       SER  66  -7.609  -2.320  -7.407
  525    HG   SER  66           HG       SER  66  -5.610  -3.046  -7.820
  526    H    SER  67           HN       SER  67  -6.243  -5.731  -8.832
  527    HA   SER  67           HA       SER  67  -7.555  -6.342 -11.253
  528   1HB   SER  67          HB2       SER  67  -5.038  -6.275 -10.796
  529   2HB   SER  67          HB1       SER  67  -5.227  -7.891 -10.118
  530    HG   SER  67           HG       SER  67  -5.497  -8.700 -12.063
  531    H    HIS  68           HN       HIS  68  -7.284  -8.062  -8.192
  532    HA   HIS  68           HA       HIS  68  -8.518 -10.452  -9.316
  533   1HB   HIS  68          HB2       HIS  68  -6.669 -10.451  -7.547
  534   2HB   HIS  68          HB1       HIS  68  -7.903  -9.943  -6.403
  535    HD1  HIS  68           HD1      HIS  68  -9.897 -11.717  -6.002
  536    HD2  HIS  68           HD2      HIS  68  -6.567 -13.133  -8.041
  537    HE1  HIS  68           HE1      HIS  68 -10.017 -14.222  -5.836
  538    HE2  HIS  68           HE2      HIS  68  -7.889 -15.042  -6.907
  539    H    SER  69           HN       SER  69  -9.707  -7.565  -8.477
  540    HA   SER  69           HA       SER  69 -11.745  -6.741  -7.924
  541   1HB   SER  69          HB2       SER  69 -12.638  -8.423  -9.483
  542   2HB   SER  69          HB1       SER  69 -12.663  -9.618  -8.191
  543    HG   SER  69           HG       SER  69 -14.056  -7.942  -7.093
  544    H    ILE  70           HN       ILE  70  -9.926  -7.317  -5.901
  545    HA   ILE  70           HA       ILE  70 -11.603  -8.244  -3.670
  546    HB   ILE  70           HB       ILE  70  -8.604  -7.768  -3.761
  547   1HG1  ILE  70          HG12      ILE  70 -10.183 -10.355  -3.725
  548   2HG1  ILE  70          HG11      ILE  70  -9.325  -9.698  -5.116
  549   1HG2  ILE  70          HG21      ILE  70  -9.470  -7.420  -1.528
  550   2HG2  ILE  70          HG22      ILE  70  -8.574  -8.938  -1.594
  551   3HG2  ILE  70          HG23      ILE  70 -10.339  -8.955  -1.593
  552   1HD1  ILE  70          HD11      ILE  70  -8.036 -11.456  -4.094
  553   2HD1  ILE  70          HD12      ILE  70  -8.095 -10.633  -2.535
  554   3HD1  ILE  70          HD13      ILE  70  -7.213  -9.910  -3.880
  555    H    SER  71           HN       SER  71 -11.866  -6.921  -1.820
  556    HA   SER  71           HA       SER  71 -11.643  -4.067  -2.394
  557   1HB   SER  71          HB2       SER  71 -12.991  -5.456  -0.062
  558   2HB   SER  71          HB1       SER  71 -13.178  -3.767  -0.538
  559    HG   SER  71           HG       SER  71 -13.724  -5.739  -2.440
  560    H    ILE  72           HN       ILE  72 -11.006  -2.679  -0.400
  561    HA   ILE  72           HA       ILE  72  -8.775  -3.916   1.053
  562    HB   ILE  72           HB       ILE  72  -8.524  -1.637  -0.930
  563   1HG1  ILE  72          HG12      ILE  72  -7.240  -4.349  -0.667
  564   2HG1  ILE  72          HG11      ILE  72  -8.234  -3.746  -1.987
  565   1HG2  ILE  72          HG21      ILE  72  -6.186  -1.373  -0.208
  566   2HG2  ILE  72          HG22      ILE  72  -6.504  -2.462   1.145
  567   3HG2  ILE  72          HG23      ILE  72  -7.346  -0.914   1.040
  568   1HD1  ILE  72          HD11      ILE  72  -5.500  -2.716  -1.290
  569   2HD1  ILE  72          HD12      ILE  72  -6.496  -2.227  -2.660
  570   3HD1  ILE  72          HD13      ILE  72  -5.864  -3.870  -2.570
  571    H    ILE  73           HN       ILE  73  -8.094  -2.754   2.856
  572    HA   ILE  73           HA       ILE  73  -9.341  -0.163   3.479
  573    HB   ILE  73           HB       ILE  73  -9.248  -2.588   5.293
  574   1HG1  ILE  73          HG12      ILE  73 -11.241  -2.354   3.890
  575   2HG1  ILE  73          HG11      ILE  73 -11.634  -2.135   5.594
  576   1HG2  ILE  73          HG21      ILE  73  -8.331  -0.726   6.540
  577   2HG2  ILE  73          HG22      ILE  73  -9.947  -1.121   7.135
  578   3HG2  ILE  73          HG23      ILE  73  -9.710   0.281   6.091
  579   1HD1  ILE  73          HD11      ILE  73 -11.277   0.065   3.571
  580   2HD1  ILE  73          HD12      ILE  73 -11.689   0.283   5.272
  581   3HD1  ILE  73          HD13      ILE  73 -12.814  -0.537   4.190
  582    HA   PRO  74           HA       PRO  74  -4.923   0.081   4.207
  583   1HB   PRO  74          HB2       PRO  74  -4.861   2.800   3.544
  584   2HB   PRO  74          HB1       PRO  74  -4.620   1.448   2.437
  585   1HG   PRO  74          HG2       PRO  74  -6.777   3.275   2.440
  586   2HG   PRO  74          HG1       PRO  74  -6.640   1.793   1.480
  587   1HD   PRO  74          HD2       PRO  74  -8.100   2.275   4.029
  588   2HD   PRO  74          HD1       PRO  74  -8.482   1.163   2.695
  589    H    SER  75           HN       SER  75  -4.605  -0.061   6.402
  590    HA   SER  75           HA       SER  75  -5.111   2.097   8.220
  591   1HB   SER  75          HB2       SER  75  -4.774  -0.220   9.005
  592   2HB   SER  75          HB1       SER  75  -3.126  -0.197   8.380
  593    HG   SER  75           HG       SER  75  -4.087   1.631  10.334
  594    H    CYS  76           HN       CYS  76  -2.827   1.334   5.849
  595    HA   CYS  76           HA       CYS  76  -0.774   3.190   6.383
  596   1HB   CYS  76          HB2       CYS  76  -1.666   2.276   3.650
  597   2HB   CYS  76          HB1       CYS  76  -0.073   2.827   4.146
  598    HG   CYS  76           HG       CYS  76  -0.319  -0.043   3.669
  599    H    SER  77           HN       SER  77  -3.667   4.080   6.519
  600    HA   SER  77           HA       SER  77  -4.567   5.571   4.427
  601   1HB   SER  77          HB2       SER  77  -5.834   6.823   6.260
  602   2HB   SER  77          HB1       SER  77  -6.034   5.072   6.181
  603    HG   SER  77           HG       SER  77  -4.982   6.621   8.166
  604    H    TYR  78           HN       TYR  78  -1.795   6.476   6.303
  605    HA   TYR  78           HA       TYR  78  -1.813   9.241   5.837
  606   1HB   TYR  78          HB2       TYR  78   0.202   8.909   6.805
  607   2HB   TYR  78          HB1       TYR  78   0.198   7.206   6.371
  608    HD1  TYR  78           HD1      TYR  78   1.121  10.591   5.203
  609    HD2  TYR  78           HD2      TYR  78   1.539   6.406   4.538
  610    HE1  TYR  78           HE1      TYR  78   2.953  11.037   3.630
  611    HE2  TYR  78           HE2      TYR  78   3.370   6.841   2.950
  612    HH   TYR  78           HH       TYR  78   4.320   8.534   1.637
  613    H    VAL  79           HN       VAL  79  -0.930   6.531   3.765
  614    HA   VAL  79           HA       VAL  79  -0.460   7.970   1.386
  615    HB   VAL  79           HB       VAL  79  -1.462   5.135   1.743
  616   1HG1  VAL  79          HG11      VAL  79  -0.175   6.433  -0.654
  617   2HG1  VAL  79          HG12      VAL  79  -1.873   5.980  -0.508
  618   3HG1  VAL  79          HG13      VAL  79  -0.625   4.734  -0.504
  619   1HG2  VAL  79          HG21      VAL  79   0.869   4.472   1.432
  620   2HG2  VAL  79          HG22      VAL  79   0.667   5.488   2.859
  621   3HG2  VAL  79          HG23      VAL  79   1.345   6.169   1.381
  622    H    SER  80           HN       SER  80  -3.312   6.403   2.755
  623    HA   SER  80           HA       SER  80  -5.018   6.729   0.556
  624   1HB   SER  80          HB2       SER  80  -5.849   6.777   3.459
  625   2HB   SER  80          HB1       SER  80  -6.808   6.241   2.076
  626    HG   SER  80           HG       SER  80  -5.138   4.612   1.769
  627    H    ASP  81           HN       ASP  81  -4.302   8.880   3.228
  628    HA   ASP  81           HA       ASP  81  -6.426  10.696   2.770
  629   1HB   ASP  81          HB2       ASP  81  -5.473  10.671   4.934
  630   2HB   ASP  81          HB1       ASP  81  -3.835  10.833   4.318
  631    H    THR  82           HN       THR  82  -2.928  10.886   1.990
  632    HA   THR  82           HA       THR  82  -3.427  13.310   0.472
  633    HB   THR  82           HB       THR  82  -1.441  13.391   1.778
  634    HG1  THR  82           HG1      THR  82  -0.887  14.458  -0.004
  635   1HG2  THR  82          HG21      THR  82   0.437  11.833   1.478
  636   2HG2  THR  82          HG22      THR  82  -0.539  10.884   0.356
  637   3HG2  THR  82          HG23      THR  82  -1.013  11.008   2.050
  638    H    PHE  83           HN       PHE  83  -2.229  10.035  -0.203
  639    HA   PHE  83           HA       PHE  83  -1.562  10.649  -2.910
  640   1HB   PHE  83          HB2       PHE  83  -0.622   8.872  -1.214
  641   2HB   PHE  83          HB1       PHE  83  -1.858   7.853  -1.936
  642    HD1  PHE  83           HD1      PHE  83  -1.056   6.429  -3.539
  643    HD2  PHE  83           HD2      PHE  83   0.649  10.315  -3.193
  644    HE1  PHE  83           HE1      PHE  83   0.446   5.939  -5.426
  645    HE2  PHE  83           HE2      PHE  83   2.157   9.826  -5.072
  646    HZ   PHE  83           HZ       PHE  83   2.055   7.635  -6.193
  647    H    LEU  84           HN       LEU  84  -4.330   9.166  -1.330
  648    HA   LEU  84           HA       LEU  84  -5.289   7.959  -3.734
  649   1HB   LEU  84          HB2       LEU  84  -6.288   8.223  -0.973
  650   2HB   LEU  84          HB1       LEU  84  -7.473   7.881  -2.222
  651    HG   LEU  84           HG       LEU  84  -4.967   6.258  -1.729
  652   1HD1  LEU  84          HD11      LEU  84  -6.502   5.995   0.126
  653   2HD1  LEU  84          HD12      LEU  84  -6.467   4.535  -0.865
  654   3HD1  LEU  84          HD13      LEU  84  -7.823   5.657  -0.992
  655   1HD2  LEU  84          HD21      LEU  84  -7.350   5.759  -3.504
  656   2HD2  LEU  84          HD22      LEU  84  -6.011   4.642  -3.236
  657   3HD2  LEU  84          HD23      LEU  84  -5.725   6.190  -4.036
  658    HA   PRO  85           HA       PRO  85  -8.171  11.915  -3.998
  659   1HB   PRO  85          HB2       PRO  85  -6.154  13.821  -2.961
  660   2HB   PRO  85          HB1       PRO  85  -7.911  13.847  -2.791
  661   1HG   PRO  85          HG2       PRO  85  -6.299  13.195  -0.752
  662   2HG   PRO  85          HG1       PRO  85  -7.891  12.447  -0.969
  663   1HD   PRO  85          HD2       PRO  85  -5.175  11.322  -1.484
  664   2HD   PRO  85          HD1       PRO  85  -6.663  10.510  -0.949
  665    H    ARG  86           HN       ARG  86  -4.678  11.817  -3.999
  666    HA   ARG  86           HA       ARG  86  -4.321  13.346  -6.386
  667   1HB   ARG  86          HB2       ARG  86  -2.540  13.292  -4.796
  668   2HB   ARG  86          HB1       ARG  86  -2.507  11.533  -4.792
  669   1HG   ARG  86          HG2       ARG  86  -1.699  11.552  -7.103
  670   2HG   ARG  86          HG1       ARG  86  -1.717  13.317  -7.087
  671   1HD   ARG  86          HD2       ARG  86  -0.011  13.417  -5.461
  672   2HD   ARG  86          HD1       ARG  86  -0.171  11.701  -5.084
  673    HE   ARG  86           HE       ARG  86   0.541  11.965  -7.787
  674   1HH1  ARG  86          HH11      ARG  86   1.906  12.567  -4.610
  675   2HH1  ARG  86          HH12      ARG  86   3.534  12.179  -5.094
  676   1HH2  ARG  86          HH21      ARG  86   2.692  11.468  -8.429
  677   2HH2  ARG  86          HH22      ARG  86   3.983  11.582  -7.261
  678    H    ASN  87           HN       ASN  87  -4.720   9.944  -5.652
  679    HA   ASN  87           HA       ASN  87  -4.784   9.384  -8.544
  680   1HB   ASN  87          HB2       ASN  87  -3.658   7.558  -6.401
  681   2HB   ASN  87          HB1       ASN  87  -3.833   7.149  -8.103
  682   1HD2  ASN  87          HD21      ASN  87  -2.087   9.036  -5.774
  683   2HD2  ASN  87          HD22      ASN  87  -0.750   9.424  -6.800
  684    HA   PRO  88           HA       PRO  88  -8.706   8.117  -6.481
  685   1HB   PRO  88          HB2       PRO  88 -10.058   9.325  -8.745
  686   2HB   PRO  88          HB1       PRO  88 -10.139   9.779  -7.043
  687   1HG   PRO  88          HG2       PRO  88  -8.970  11.328  -8.950
  688   2HG   PRO  88          HG1       PRO  88  -8.465  11.334  -7.249
  689   1HD   PRO  88          HD2       PRO  88  -7.226   9.929  -9.592
  690   2HD   PRO  88          HD1       PRO  88  -6.442  10.801  -8.258
  691    H    SER  89           HN       SER  89  -7.438   6.120  -7.501
  692    HA   SER  89           HA       SER  89  -9.251   5.042  -9.561
  693   1HB   SER  89          HB2       SER  89  -7.171   3.707 -10.321
  694   2HB   SER  89          HB1       SER  89  -7.269   5.410 -10.769
  695    HG   SER  89           HG       SER  89  -5.602   4.140  -8.914
  696    H    TRP  90           HN       TRP  90  -8.341   4.780  -6.440
  697    HA   TRP  90           HA       TRP  90  -8.637   1.848  -6.433
  698   1HB   TRP  90          HB2       TRP  90  -7.170   3.397  -4.312
  699   2HB   TRP  90          HB1       TRP  90  -7.110   1.669  -4.639
  700    HD1  TRP  90           HD1      TRP  90  -5.177   4.721  -5.200
  701    HE1  TRP  90           HE1      TRP  90  -3.370   4.374  -6.992
  702    HE3  TRP  90           HE3      TRP  90  -6.836   0.302  -7.169
  703    HZ2  TRP  90           HZ2      TRP  90  -2.732   2.475  -8.985
  704    HZ3  TRP  90           HZ3      TRP  90  -5.568  -0.709  -9.018
  705    HH2  TRP  90           HH2      TRP  90  -3.560   0.355  -9.908
  706    H    LYS  91           HN       LYS  91 -10.344   4.449  -5.969
  707    HA   LYS  91           HA       LYS  91 -11.345   4.269  -3.346
  708   1HB   LYS  91          HB2       LYS  91 -12.622   5.376  -5.846
  709   2HB   LYS  91          HB1       LYS  91 -13.268   5.581  -4.223
  710   1HG   LYS  91          HG2       LYS  91 -11.131   6.688  -3.586
  711   2HG   LYS  91          HG1       LYS  91 -10.650   6.613  -5.281
  712   1HD   LYS  91          HD2       LYS  91 -12.448   8.041  -5.930
  713   2HD   LYS  91          HD1       LYS  91 -13.184   7.937  -4.328
  714   1HE   LYS  91          HE2       LYS  91 -11.178   9.044  -3.389
  715   2HE   LYS  91          HE1       LYS  91 -10.551   9.232  -5.025
  716   1HZ   LYS  91          HZ1       LYS  91 -12.327  10.673  -5.581
  717   2HZ   LYS  91          HZ2       LYS  91 -11.706  11.215  -4.094
  718   3HZ   LYS  91          HZ3       LYS  91 -13.157  10.336  -4.140
  719    HA   PRO  92           HA       PRO  92 -14.775   1.360  -5.403
  720   1HB   PRO  92          HB2       PRO  92 -13.543  -0.379  -7.168
  721   2HB   PRO  92          HB1       PRO  92 -14.574   0.978  -7.626
  722   1HG   PRO  92          HG2       PRO  92 -11.593   0.823  -7.496
  723   2HG   PRO  92          HG1       PRO  92 -12.626   1.602  -8.711
  724   1HD   PRO  92          HD2       PRO  92 -11.392   3.046  -6.848
  725   2HD   PRO  92          HD1       PRO  92 -13.051   3.438  -7.346
  726    H    LEU  93           HN       LEU  93 -11.574   0.902  -4.370
  727    HA   LEU  93           HA       LEU  93 -12.010  -1.891  -3.632
  728   1HB   LEU  93          HB2       LEU  93  -9.548  -0.200  -3.227
  729   2HB   LEU  93          HB1       LEU  93  -9.664  -1.949  -3.140
  730    HG   LEU  93           HG       LEU  93 -10.119  -0.342  -5.650
  731   1HD1  LEU  93          HD11      LEU  93  -7.913  -1.150  -6.340
  732   2HD1  LEU  93          HD12      LEU  93  -7.694  -1.917  -4.768
  733   3HD1  LEU  93          HD13      LEU  93  -7.800  -0.160  -4.885
  734   1HD2  LEU  93          HD21      LEU  93 -11.284  -2.477  -5.623
  735   2HD2  LEU  93          HD22      LEU  93  -9.796  -3.307  -5.166
  736   3HD2  LEU  93          HD23      LEU  93  -9.925  -2.536  -6.747
  737    H    ILE  94           HN       ILE  94 -11.268   1.240  -2.183
  738    HA   ILE  94           HA       ILE  94 -11.685   0.061   0.479
  739    HB   ILE  94           HB       ILE  94 -10.334   1.811   1.396
  740   1HG1  ILE  94          HG12      ILE  94  -9.886   3.012  -1.324
  741   2HG1  ILE  94          HG11      ILE  94 -11.221   3.547  -0.306
  742   1HG2  ILE  94          HG21      ILE  94  -8.194   1.478   0.229
  743   2HG2  ILE  94          HG22      ILE  94  -9.067   0.751  -1.121
  744   3HG2  ILE  94          HG23      ILE  94  -9.081  -0.027   0.461
  745   1HD1  ILE  94          HD11      ILE  94  -8.310   3.595   0.443
  746   2HD1  ILE  94          HD12      ILE  94  -9.651   4.141   1.451
  747   3HD1  ILE  94          HD13      ILE  94  -9.280   4.981  -0.057
  748    H    HIS  95           HN       HIS  95 -12.033   2.515   1.829
  749    HA   HIS  95           HA       HIS  95 -14.673   3.327   1.433
  750   1HB   HIS  95          HB2       HIS  95 -12.293   4.729   2.657
  751   2HB   HIS  95          HB1       HIS  95 -13.921   5.409   2.697
  752    HD1  HIS  95           HD1      HIS  95 -15.722   3.470   3.815
  753    HD2  HIS  95           HD2      HIS  95 -11.707   3.414   4.911
  754    HE1  HIS  95           HE1      HIS  95 -15.629   2.234   6.001
  755    HE2  HIS  95           HE2      HIS  95 -13.238   2.443   6.759
  756    H    SER  96           HN       SER  96 -12.278   5.899   1.042
  757    HA   SER  96           HA       SER  96 -12.141   5.633  -1.821
  758   1HB   SER  96          HB2       SER  96 -13.522   8.037  -0.600
  759   2HB   SER  96          HB1       SER  96 -12.863   8.024  -2.234
  760    HG   SER  96           HG       SER  96 -14.463   5.868  -1.740
  761    H    GLU  97           HN       GLU  97 -11.748   8.253   0.540
  762    HA   GLU  97           HA       GLU  97  -8.853   8.072   0.249
  763   1HB   GLU  97          HB2       GLU  97 -10.510  10.590   0.602
  764   2HB   GLU  97          HB1       GLU  97  -8.763  10.496   0.428
  765   1HG   GLU  97          HG2       GLU  97  -8.894   9.948  -1.835
  766   2HG   GLU  97          HG1       GLU  97 -10.602   9.524  -1.719
  767    H    VAL  98           HN       VAL  98  -8.787  10.273   2.382
  768    HA   VAL  98           HA       VAL  98  -9.788   8.592   4.569
  769    HB   VAL  98           HB       VAL  98  -7.178   9.645   4.144
  770   1HG1  VAL  98          HG11      VAL  98  -7.840  11.621   5.375
  771   2HG1  VAL  98          HG12      VAL  98  -6.739  10.640   6.345
  772   3HG1  VAL  98          HG13      VAL  98  -8.470  10.624   6.687
  773   1HG2  VAL  98          HG21      VAL  98  -7.706   7.411   4.901
  774   2HG2  VAL  98          HG22      VAL  98  -8.393   8.054   6.391
  775   3HG2  VAL  98          HG23      VAL  98  -6.666   8.224   6.071
  776    H    PHE  99           HN       PHE  99  -9.353  11.971   3.554
  777    HA   PHE  99           HA       PHE  99 -10.763  12.853   5.939
  778   1HB   PHE  99          HB2       PHE  99 -10.057  15.097   5.319
  779   2HB   PHE  99          HB1       PHE  99  -8.686  13.994   5.276
  780    HD1  PHE  99           HD1      PHE  99  -7.873  13.154   3.054
  781    HD2  PHE  99           HD2      PHE  99 -10.693  16.322   3.421
  782    HE1  PHE  99           HE1      PHE  99  -7.372  13.861   0.753
  783    HE2  PHE  99           HE2      PHE  99 -10.196  17.030   1.118
  784    HZ   PHE  99           HZ       PHE  99  -8.545  15.810  -0.217
  785    H    LYS 100           HN       LYS 100 -11.830  11.786   3.047
  786    HA   LYS 100           HA       LYS 100 -13.861  13.906   2.816
  787   1HB   LYS 100          HB2       LYS 100 -14.358  12.806   0.589
  788   2HB   LYS 100          HB1       LYS 100 -12.798  13.603   0.731
  789   1HG   LYS 100          HG2       LYS 100 -12.403  11.586  -0.397
  790   2HG   LYS 100          HG1       LYS 100 -11.819  11.345   1.249
  791   1HD   LYS 100          HD2       LYS 100 -12.976   9.377   0.704
  792   2HD   LYS 100          HD1       LYS 100 -14.082  10.291   1.748
  793   1HE   LYS 100          HE2       LYS 100 -14.147  10.281  -1.275
  794   2HE   LYS 100          HE1       LYS 100 -15.158   9.256  -0.262
  795   1HZ   LYS 100          HZ1       LYS 100 -16.057  11.354   0.724
  796   2HZ   LYS 100          HZ2       LYS 100 -16.440  11.116  -0.905
  797   3HZ   LYS 100          HZ3       LYS 100 -15.228  12.218  -0.477
  798    H    SER 101           HN       SER 101 -13.335  10.629   3.588
  799    HA   SER 101           HA       SER 101 -14.623   8.910   4.264
  800   1HB   SER 101          HB2       SER 101 -16.103   9.533   6.124
  801   2HB   SER 101          HB1       SER 101 -14.537  10.341   6.158
  802    HG   SER 101           HG       SER 101 -16.737  11.607   4.955
  803    H    SER 102           HN       SER 102 -15.596   8.005   2.516
  804    HA   SER 102           HA       SER 102 -18.110   8.908   1.492
  805   1HB   SER 102          HB2       SER 102 -16.832   6.172   1.211
  806   2HB   SER 102          HB1       SER 102 -18.070   6.880   0.166
  807    HG   SER 102           HG       SER 102 -16.161   7.222  -0.862
  808    H    ILE 103           HN       ILE 103 -17.313   5.810   3.032
  809    HA   ILE 103           HA       ILE 103 -19.099   6.199   5.197
  810    HB   ILE 103           HB       ILE 103 -20.853   5.681   3.640
  811   1HG1  ILE 103          HG12      ILE 103 -20.227   3.214   5.273
  812   2HG1  ILE 103          HG11      ILE 103 -20.981   4.679   5.894
  813   1HG2  ILE 103          HG21      ILE 103 -19.569   4.629   1.875
  814   2HG2  ILE 103          HG22      ILE 103 -20.924   3.602   2.344
  815   3HG2  ILE 103          HG23      ILE 103 -19.292   3.215   2.892
  816   1HD1  ILE 103          HD11      ILE 103 -22.615   2.934   5.475
  817   2HD1  ILE 103          HD12      ILE 103 -22.128   2.875   3.782
  818   3HD1  ILE 103          HD13      ILE 103 -22.890   4.328   4.429
  Start of MODEL    5
    1   1H    MET   1           HT1      MET   1  14.521   8.021 -14.246
    2   2H    MET   1           HT2      MET   1  15.867   9.046 -14.334
    3   3H    MET   1           HT3      MET   1  14.653   9.142 -15.514
    4    HA   MET   1           HA       MET   1  14.443  10.970 -13.983
    5   1HB   MET   1          HB2       MET   1  12.424   9.907 -14.978
    6   2HB   MET   1          HB1       MET   1  12.310   8.856 -13.576
    7   1HG   MET   1          HG2       MET   1  10.714  10.667 -13.437
    8   2HG   MET   1          HG1       MET   1  11.907  10.785 -12.146
    9   1HE   MET   1          HE1       MET   1  11.954  13.440 -15.923
   10   2HE   MET   1          HE2       MET   1  10.731  12.208 -15.615
   11   3HE   MET   1          HE3       MET   1  12.399  11.734 -15.933
   12    H    ALA   2           HN       ALA   2  13.845  11.613 -11.726
   13    HA   ALA   2           HA       ALA   2  15.394  10.249  -9.775
   14   1HB   ALA   2          HB1       ALA   2  14.491  11.848  -8.190
   15   2HB   ALA   2          HB2       ALA   2  13.240  12.320  -9.340
   16   3HB   ALA   2          HB3       ALA   2  14.935  12.671  -9.685
   17    H    THR   3           HN       THR   3  11.931  10.470 -10.412
   18    HA   THR   3           HA       THR   3  11.304   8.521  -8.368
   19    HB   THR   3           HB       THR   3   8.955   8.843  -9.534
   20    HG1  THR   3           HG1      THR   3   8.873  10.440 -10.941
   21   1HG2  THR   3          HG21      THR   3  10.294  10.991  -7.887
   22   2HG2  THR   3          HG22      THR   3   9.485   9.555  -7.260
   23   3HG2  THR   3          HG23      THR   3   8.554  10.799  -8.096
   24    H    GLU   4           HN       GLU   4  12.659   6.870  -9.403
   25    HA   GLU   4           HA       GLU   4  11.743   5.694 -11.875
   26   1HB   GLU   4          HB2       GLU   4  13.787   4.797  -9.835
   27   2HB   GLU   4          HB1       GLU   4  13.441   3.927 -11.322
   28   1HG   GLU   4          HG2       GLU   4  14.430   6.764 -11.190
   29   2HG   GLU   4          HG1       GLU   4  15.455   5.352 -11.435
   30    HA   PRO   5           HA       PRO   5   8.851   2.775 -10.108
   31   1HB   PRO   5          HB2       PRO   5   9.750   0.932 -12.234
   32   2HB   PRO   5          HB1       PRO   5   8.135   1.574 -11.916
   33   1HG   PRO   5          HG2       PRO   5   9.586   2.403 -14.015
   34   2HG   PRO   5          HG1       PRO   5   8.519   3.503 -13.124
   35   1HD   PRO   5          HD2       PRO   5  11.495   3.216 -12.978
   36   2HD   PRO   5          HD1       PRO   5  10.502   4.689 -12.947
   37    HA   PRO   6           HA       PRO   6  12.128   0.782  -7.772
   38   1HB   PRO   6          HB2       PRO   6   9.993   0.067  -5.901
   39   2HB   PRO   6          HB1       PRO   6  11.385   1.124  -5.656
   40   1HG   PRO   6          HG2       PRO   6   8.865   2.072  -5.804
   41   2HG   PRO   6          HG1       PRO   6  10.264   2.992  -6.388
   42   1HD   PRO   6          HD2       PRO   6   8.270   1.386  -7.943
   43   2HD   PRO   6          HD1       PRO   6   8.976   2.976  -8.316
   44    H    LYS   7           HN       LYS   7  12.362  -1.384  -6.620
   45    HA   LYS   7           HA       LYS   7  11.075  -3.454  -8.274
   46   1HB   LYS   7          HB2       LYS   7  13.673  -3.691  -6.741
   47   2HB   LYS   7          HB1       LYS   7  13.008  -4.860  -7.860
   48   1HG   LYS   7          HG2       LYS   7  13.835  -2.104  -8.711
   49   2HG   LYS   7          HG1       LYS   7  14.952  -3.465  -8.667
   50   1HD   LYS   7          HD2       LYS   7  14.229  -3.450 -10.872
   51   2HD   LYS   7          HD1       LYS   7  13.196  -4.668 -10.122
   52   1HE   LYS   7          HE2       LYS   7  11.407  -3.026  -9.902
   53   2HE   LYS   7          HE1       LYS   7  12.444  -1.789 -10.609
   54   1HZ   LYS   7          HZ1       LYS   7  11.426  -4.232 -11.952
   55   2HZ   LYS   7          HZ2       LYS   7  12.547  -3.159 -12.639
   56   3HZ   LYS   7          HZ3       LYS   7  10.978  -2.626 -12.273
   57    H    ILE   8           HN       ILE   8   9.274  -3.705  -6.968
   58    HA   ILE   8           HA       ILE   8   9.747  -3.928  -4.112
   59    HB   ILE   8           HB       ILE   8   7.070  -3.916  -5.512
   60   1HG1  ILE   8          HG12      ILE   8   8.429  -1.865  -6.013
   61   2HG1  ILE   8          HG11      ILE   8   6.965  -1.529  -5.091
   62   1HG2  ILE   8          HG21      ILE   8   6.265  -3.196  -3.300
   63   2HG2  ILE   8          HG22      ILE   8   7.908  -3.351  -2.669
   64   3HG2  ILE   8          HG23      ILE   8   7.042  -4.779  -3.240
   65   1HD1  ILE   8          HD11      ILE   8   8.325  -1.429  -3.040
   66   2HD1  ILE   8          HD12      ILE   8   8.804  -0.229  -4.240
   67   3HD1  ILE   8          HD13      ILE   8   9.773  -1.687  -4.016
   68    H    VAL   9           HN       VAL   9   9.896  -5.782  -3.132
   69    HA   VAL   9           HA       VAL   9   9.304  -8.232  -4.625
   70    HB   VAL   9           HB       VAL   9  10.805  -7.900  -2.025
   71   1HG1  VAL   9          HG11      VAL   9   9.927 -10.143  -2.358
   72   2HG1  VAL   9          HG12      VAL   9  11.684 -10.132  -2.523
   73   3HG1  VAL   9          HG13      VAL   9  10.663 -10.209  -3.960
   74   1HG2  VAL   9          HG21      VAL   9  11.889  -6.677  -3.818
   75   2HG2  VAL   9          HG22      VAL   9  11.865  -8.123  -4.828
   76   3HG2  VAL   9          HG23      VAL   9  12.835  -8.092  -3.355
   77    H    TRP  10           HN       TRP  10   7.637  -9.483  -4.096
   78    HA   TRP  10           HA       TRP  10   6.009  -8.727  -1.836
   79   1HB   TRP  10          HB2       TRP  10   4.900  -9.242  -3.930
   80   2HB   TRP  10          HB1       TRP  10   5.627 -10.847  -3.952
   81    HD1  TRP  10           HD1      TRP  10   4.054  -9.336  -0.792
   82    HE1  TRP  10           HE1      TRP  10   2.018 -10.752  -0.120
   83    HE3  TRP  10           HE3      TRP  10   3.884 -12.447  -4.845
   84    HZ2  TRP  10           HZ2      TRP  10   0.530 -12.907  -1.183
   85    HZ3  TRP  10           HZ3      TRP  10   2.120 -14.156  -4.942
   86    HH2  TRP  10           HH2      TRP  10   0.479 -14.382  -3.149
   87    H    ASN  11           HN       ASN  11   6.302  -9.516   0.089
   88    HA   ASN  11           HA       ASN  11   7.645 -12.107   0.412
   89   1HB   ASN  11          HB2       ASN  11   8.453  -9.966   1.607
   90   2HB   ASN  11          HB1       ASN  11   7.022 -10.154   2.616
   91   1HD2  ASN  11          HD21      ASN  11   9.867 -10.311   3.256
   92   2HD2  ASN  11          HD22      ASN  11  10.103 -11.856   4.005
   93    H    GLU  12           HN       GLU  12   5.855 -13.435  -0.036
   94    HA   GLU  12           HA       GLU  12   3.275 -12.927   1.042
   95   1HB   GLU  12          HB2       GLU  12   2.669 -15.124   0.172
   96   2HB   GLU  12          HB1       GLU  12   3.554 -14.189  -1.021
   97   1HG   GLU  12          HG2       GLU  12   5.567 -15.463  -0.557
   98   2HG   GLU  12          HG1       GLU  12   4.714 -16.375   0.690
   99    H    GLY  13           HN       GLY  13   6.073 -14.552   2.232
  100   1HA   GLY  13          HA2       GLY  13   4.805 -16.114   4.238
  101   2HA   GLY  13          HA1       GLY  13   6.494 -15.623   4.224
  102    H    LYS  14           HN       LYS  14   5.362 -12.760   3.939
  103    HA   LYS  14           HA       LYS  14   4.764 -12.384   6.804
  104   1HB   LYS  14          HB2       LYS  14   6.016 -10.353   4.952
  105   2HB   LYS  14          HB1       LYS  14   5.831 -10.229   6.692
  106   1HG   LYS  14          HG2       LYS  14   7.613 -12.159   5.231
  107   2HG   LYS  14          HG1       LYS  14   8.125 -10.704   6.086
  108   1HD   LYS  14          HD2       LYS  14   7.296 -11.645   8.180
  109   2HD   LYS  14          HD1       LYS  14   6.773 -13.097   7.322
  110   1HE   LYS  14          HE2       LYS  14   9.123 -13.477   6.634
  111   2HE   LYS  14          HE1       LYS  14   9.596 -12.088   7.608
  112   1HZ   LYS  14          HZ1       LYS  14   8.275 -14.535   8.658
  113   2HZ   LYS  14          HZ2       LYS  14   8.759 -13.194   9.572
  114   3HZ   LYS  14          HZ3       LYS  14   9.922 -14.161   8.811
  115    H    ARG  15           HN       ARG  15   3.442 -12.343   3.792
  116    HA   ARG  15           HA       ARG  15   1.744 -11.286   2.709
  117   1HB   ARG  15          HB2       ARG  15   0.917 -10.771   5.568
  118   2HB   ARG  15          HB1       ARG  15  -0.084 -10.347   4.189
  119   1HG   ARG  15          HG2       ARG  15  -0.214 -12.677   3.536
  120   2HG   ARG  15          HG1       ARG  15   0.849 -13.123   4.872
  121   1HD   ARG  15          HD2       ARG  15  -0.767 -12.454   6.485
  122   2HD   ARG  15          HD1       ARG  15  -1.776 -11.702   5.249
  123    HE   ARG  15           HE       ARG  15  -2.211 -13.965   4.403
  124   1HH1  ARG  15          HH11      ARG  15  -0.946 -13.643   7.654
  125   2HH1  ARG  15          HH12      ARG  15  -1.630 -15.144   8.199
  126   1HH2  ARG  15          HH21      ARG  15  -3.147 -15.902   5.128
  127   2HH2  ARG  15          HH22      ARG  15  -2.891 -16.426   6.770
  128    H    ARG  16           HN       ARG  16   3.885  -9.829   2.438
  129    HA   ARG  16           HA       ARG  16   2.945  -7.102   2.671
  130   1HB   ARG  16          HB2       ARG  16   4.628  -6.280   4.065
  131   2HB   ARG  16          HB1       ARG  16   4.152  -7.794   4.815
  132   1HG   ARG  16          HG2       ARG  16   6.089  -8.909   3.925
  133   2HG   ARG  16          HG1       ARG  16   6.555  -7.451   3.046
  134   1HD   ARG  16          HD2       ARG  16   6.773  -6.258   5.190
  135   2HD   ARG  16          HD1       ARG  16   6.373  -7.750   6.042
  136    HE   ARG  16           HE       ARG  16   8.621  -7.978   4.244
  137   1HH1  ARG  16          HH11      ARG  16   7.643  -7.126   7.505
  138   2HH1  ARG  16          HH12      ARG  16   9.202  -7.450   8.189
  139   1HH2  ARG  16          HH21      ARG  16  10.649  -8.395   5.126
  140   2HH2  ARG  16          HH22      ARG  16  10.924  -8.178   6.833
  141    H    PHE  17           HN       PHE  17   4.306  -5.572   1.521
  142    HA   PHE  17           HA       PHE  17   5.973  -6.864  -0.539
  143   1HB   PHE  17          HB2       PHE  17   4.714  -4.119  -0.706
  144   2HB   PHE  17          HB1       PHE  17   5.523  -5.000  -1.996
  145    HD1  PHE  17           HD1      PHE  17   2.424  -4.260  -0.422
  146    HD2  PHE  17           HD2      PHE  17   4.441  -7.178  -2.773
  147    HE1  PHE  17           HE1      PHE  17   0.256  -5.189  -1.128
  148    HE2  PHE  17           HE2      PHE  17   2.280  -8.104  -3.490
  149    HZ   PHE  17           HZ       PHE  17   0.185  -7.111  -2.669
  150    H    GLU  18           HN       GLU  18   8.040  -6.175  -0.803
  151    HA   GLU  18           HA       GLU  18   9.030  -4.126   1.071
  152   1HB   GLU  18          HB2       GLU  18   9.842  -6.902   0.593
  153   2HB   GLU  18          HB1       GLU  18  11.174  -5.761   0.678
  154   1HG   GLU  18          HG2       GLU  18  10.497  -5.076   2.871
  155   2HG   GLU  18          HG1       GLU  18   9.030  -6.051   2.771
  156    H    THR  19           HN       THR  19  10.200  -2.534   0.210
  157    HA   THR  19           HA       THR  19  10.659  -2.373  -2.590
  158    HB   THR  19           HB       THR  19  10.442  -0.381  -1.078
  159    HG1  THR  19           HG1      THR  19  11.361   0.124  -3.012
  160   1HG2  THR  19          HG21      THR  19  11.747  -1.158   0.802
  161   2HG2  THR  19          HG22      THR  19  12.433   0.344   0.181
  162   3HG2  THR  19          HG23      THR  19  13.204  -1.200  -0.189
  163    H    GLU  20           HN       GLU  20  12.917  -2.008  -3.473
  164    HA   GLU  20           HA       GLU  20  14.471  -4.347  -3.114
  165   1HB   GLU  20          HB2       GLU  20  15.982  -3.296  -4.745
  166   2HB   GLU  20          HB1       GLU  20  14.302  -3.179  -5.242
  167   1HG   GLU  20          HG2       GLU  20  14.303  -0.862  -4.242
  168   2HG   GLU  20          HG1       GLU  20  16.057  -1.017  -4.144
  169    H    ASP  21           HN       ASP  21  14.162  -1.823  -1.188
  170    HA   ASP  21           HA       ASP  21  16.958  -1.699  -0.321
  171   1HB   ASP  21          HB2       ASP  21  16.226   0.457  -0.808
  172   2HB   ASP  21          HB1       ASP  21  14.613   0.156  -0.192
  173    H    HIS  22           HN       HIS  22  13.826  -2.757   0.497
  174    HA   HIS  22           HA       HIS  22  13.039  -4.153   2.060
  175   1HB   HIS  22          HB2       HIS  22  15.975  -4.578   2.468
  176   2HB   HIS  22          HB1       HIS  22  14.782  -5.410   3.465
  177    HD1  HIS  22           HD1      HIS  22  13.303  -7.194   2.329
  178    HD2  HIS  22           HD2      HIS  22  16.108  -5.440  -0.208
  179    HE1  HIS  22           HE1      HIS  22  13.373  -8.650   0.275
  180    HE2  HIS  22           HE2      HIS  22  15.194  -7.673  -1.166
  181    H    GLU  23           HN       GLU  23  14.664  -1.363   3.017
  182    HA   GLU  23           HA       GLU  23  13.941  -1.646   5.806
  183   1HB   GLU  23          HB2       GLU  23  14.693   0.889   4.350
  184   2HB   GLU  23          HB1       GLU  23  14.727   0.604   6.083
  185   1HG   GLU  23          HG2       GLU  23  16.461  -1.224   5.504
  186   2HG   GLU  23          HG1       GLU  23  16.612  -0.358   3.965
  187    H    ALA  24           HN       ALA  24  12.553  -0.642   2.867
  188    HA   ALA  24           HA       ALA  24  10.233   0.509   4.249
  189   1HB   ALA  24          HB1       ALA  24  11.026   0.751   1.351
  190   2HB   ALA  24          HB2       ALA  24  11.265   1.985   2.587
  191   3HB   ALA  24          HB3       ALA  24   9.632   1.517   2.112
  192    H    PHE  25           HN       PHE  25   8.402  -0.579   4.276
  193    HA   PHE  25           HA       PHE  25   7.751  -2.538   2.247
  194   1HB   PHE  25          HB2       PHE  25   7.325  -4.321   3.945
  195   2HB   PHE  25          HB1       PHE  25   9.032  -3.976   3.680
  196    HD1  PHE  25           HD1      PHE  25   6.263  -3.882   6.040
  197    HD2  PHE  25           HD2      PHE  25  10.344  -2.843   5.413
  198    HE1  PHE  25           HE1      PHE  25   6.542  -3.530   8.458
  199    HE2  PHE  25           HE2      PHE  25  10.631  -2.504   7.832
  200    HZ   PHE  25           HZ       PHE  25   8.740  -2.894   9.362
  201    H    ILE  26           HN       ILE  26   5.551  -3.349   2.509
  202    HA   ILE  26           HA       ILE  26   3.945  -1.861   4.462
  203    HB   ILE  26           HB       ILE  26   3.783  -1.436   1.711
  204   1HG1  ILE  26          HG12      ILE  26   1.902  -0.864   3.994
  205   2HG1  ILE  26          HG11      ILE  26   3.188   0.159   3.362
  206   1HG2  ILE  26          HG21      ILE  26   1.523  -2.151   1.079
  207   2HG2  ILE  26          HG22      ILE  26   1.386  -3.059   2.585
  208   3HG2  ILE  26          HG23      ILE  26   2.576  -3.536   1.375
  209   1HD1  ILE  26          HD11      ILE  26   0.646  -0.574   1.929
  210   2HD1  ILE  26          HD12      ILE  26   1.932   0.453   1.291
  211   3HD1  ILE  26          HD13      ILE  26   1.004   0.973   2.698
  212    H    GLU  27           HN       GLU  27   2.563  -3.068   5.610
  213    HA   GLU  27           HA       GLU  27   2.536  -5.944   5.034
  214   1HB   GLU  27          HB2       GLU  27   3.225  -5.202   7.302
  215   2HB   GLU  27          HB1       GLU  27   1.660  -4.429   7.520
  216   1HG   GLU  27          HG2       GLU  27   0.602  -6.674   7.267
  217   2HG   GLU  27          HG1       GLU  27   2.217  -7.377   7.237
  218    H    TYR  28           HN       TYR  28   0.533  -7.093   4.945
  219    HA   TYR  28           HA       TYR  28  -1.912  -5.557   5.173
  220   1HB   TYR  28          HB2       TYR  28  -2.749  -6.007   2.960
  221   2HB   TYR  28          HB1       TYR  28  -1.163  -5.274   2.766
  222    HD1  TYR  28           HD1      TYR  28  -2.987  -8.502   2.655
  223    HD2  TYR  28           HD2      TYR  28   0.577  -6.407   1.641
  224    HE1  TYR  28           HE1      TYR  28  -2.286 -10.379   1.231
  225    HE2  TYR  28           HE2      TYR  28   1.283  -8.278   0.218
  226    HH   TYR  28           HH       TYR  28   0.875 -10.409  -0.361
  227    H    LYS  29           HN       LYS  29  -3.815  -6.969   4.963
  228    HA   LYS  29           HA       LYS  29  -3.364  -9.803   5.086
  229   1HB   LYS  29          HB2       LYS  29  -4.457 -10.089   7.297
  230   2HB   LYS  29          HB1       LYS  29  -2.896  -9.303   7.388
  231   1HG   LYS  29          HG2       LYS  29  -5.491  -7.795   7.441
  232   2HG   LYS  29          HG1       LYS  29  -4.695  -8.393   8.894
  233   1HD   LYS  29          HD2       LYS  29  -3.686  -6.342   6.932
  234   2HD   LYS  29          HD1       LYS  29  -4.108  -6.098   8.625
  235   1HE   LYS  29          HE2       LYS  29  -1.813  -7.777   7.609
  236   2HE   LYS  29          HE1       LYS  29  -1.678  -6.141   8.246
  237   1HZ   LYS  29          HZ1       LYS  29  -1.110  -7.502  10.010
  238   2HZ   LYS  29          HZ2       LYS  29  -2.337  -8.626   9.690
  239   3HZ   LYS  29          HZ3       LYS  29  -2.731  -7.107  10.339
  240    H    MET  30           HN       MET  30  -5.008 -10.835   4.208
  241    HA   MET  30           HA       MET  30  -7.266  -9.305   3.268
  242   1HB   MET  30          HB2       MET  30  -6.780 -12.290   3.049
  243   2HB   MET  30          HB1       MET  30  -7.908 -11.333   2.104
  244   1HG   MET  30          HG2       MET  30  -6.063 -10.153   1.058
  245   2HG   MET  30          HG1       MET  30  -4.915 -11.081   2.022
  246   1HE   MET  30          HE1       MET  30  -3.609 -11.843  -0.187
  247   2HE   MET  30          HE2       MET  30  -4.732 -10.869  -1.138
  248   3HE   MET  30          HE3       MET  30  -4.415 -12.545  -1.589
  249    H    ARG  31           HN       ARG  31  -8.915  -8.923   4.520
  250    HA   ARG  31           HA       ARG  31  -9.478 -10.628   6.818
  251   1HB   ARG  31          HB2       ARG  31 -10.427  -7.884   6.002
  252   2HB   ARG  31          HB1       ARG  31 -11.065  -8.742   7.398
  253   1HG   ARG  31          HG2       ARG  31  -8.949  -8.703   8.487
  254   2HG   ARG  31          HG1       ARG  31  -8.148  -8.105   7.033
  255   1HD   ARG  31          HD2       ARG  31  -8.535  -6.350   8.738
  256   2HD   ARG  31          HD1       ARG  31  -9.299  -6.007   7.188
  257    HE   ARG  31           HE       ARG  31 -11.117  -7.325   8.924
  258   1HH1  ARG  31          HH11      ARG  31  -9.587  -4.192   8.376
  259   2HH1  ARG  31          HH12      ARG  31 -10.896  -3.309   9.114
  260   1HH2  ARG  31          HH21      ARG  31 -12.816  -6.145   9.843
  261   2HH2  ARG  31          HH22      ARG  31 -12.718  -4.412   9.954
  262    H    ASN  32           HN       ASN  32 -11.831 -10.913   7.348
  263    HA   ASN  32           HA       ASN  32 -13.811 -11.935   6.882
  264   1HB   ASN  32          HB2       ASN  32 -14.107  -9.639   5.718
  265   2HB   ASN  32          HB1       ASN  32 -13.803 -10.510   4.223
  266   1HD2  ASN  32          HD21      ASN  32 -16.175  -9.124   4.877
  267   2HD2  ASN  32          HD22      ASN  32 -17.464 -10.280   4.921
  268    H    ASN  33           HN       ASN  33 -11.731 -13.507   6.500
  269    HA   ASN  33           HA       ASN  33 -11.133 -15.506   5.602
  270   1HB   ASN  33          HB2       ASN  33 -13.460 -16.045   5.218
  271   2HB   ASN  33          HB1       ASN  33 -13.491 -15.066   3.757
  272   1HD2  ASN  33          HD21      ASN  33 -12.657 -15.886   1.869
  273   2HD2  ASN  33          HD22      ASN  33 -12.154 -17.534   1.691
  274    H    GLY  34           HN       GLY  34 -11.364 -12.662   3.727
  275   1HA   GLY  34          HA2       GLY  34  -9.158 -12.294   2.515
  276   2HA   GLY  34          HA1       GLY  34  -9.577 -13.774   1.667
  277    H    LYS  35           HN       LYS  35 -11.825 -11.233   2.617
  278    HA   LYS  35           HA       LYS  35 -12.402 -10.809  -0.238
  279   1HB   LYS  35          HB2       LYS  35 -14.128 -10.343   2.202
  280   2HB   LYS  35          HB1       LYS  35 -14.600  -9.937   0.557
  281   1HG   LYS  35          HG2       LYS  35 -13.952 -12.703   1.552
  282   2HG   LYS  35          HG1       LYS  35 -15.576 -12.048   1.322
  283   1HD   LYS  35          HD2       LYS  35 -15.185 -11.806  -1.051
  284   2HD   LYS  35          HD1       LYS  35 -13.506 -12.316  -0.857
  285   1HE   LYS  35          HE2       LYS  35 -14.883 -14.135  -1.711
  286   2HE   LYS  35          HE1       LYS  35 -14.251 -14.512  -0.109
  287   1HZ   LYS  35          HZ1       LYS  35 -16.563 -15.137  -0.298
  288   2HZ   LYS  35          HZ2       LYS  35 -17.000 -13.554  -0.718
  289   3HZ   LYS  35          HZ3       LYS  35 -16.400 -13.884   0.832
  290    H    VAL  36           HN       VAL  36 -11.217  -9.333   2.612
  291    HA   VAL  36           HA       VAL  36 -11.200  -6.730   1.247
  292    HB   VAL  36           HB       VAL  36 -11.786  -7.297   4.151
  293   1HG1  VAL  36          HG11      VAL  36 -11.108  -4.624   2.914
  294   2HG1  VAL  36          HG12      VAL  36 -10.096  -5.516   4.050
  295   3HG1  VAL  36          HG13      VAL  36 -11.661  -4.889   4.567
  296   1HG2  VAL  36          HG21      VAL  36 -13.698  -7.301   2.672
  297   2HG2  VAL  36          HG22      VAL  36 -13.223  -5.738   2.009
  298   3HG2  VAL  36          HG23      VAL  36 -13.738  -5.862   3.691
  299    H    MET  37           HN       MET  37  -9.248  -5.982   0.896
  300    HA   MET  37           HA       MET  37  -6.935  -7.208   2.152
  301   1HB   MET  37          HB2       MET  37  -7.281  -6.352  -0.354
  302   2HB   MET  37          HB1       MET  37  -6.779  -4.837   0.374
  303   1HG   MET  37          HG2       MET  37  -4.856  -5.860  -0.567
  304   2HG   MET  37          HG1       MET  37  -4.720  -5.907   1.189
  305   1HE   MET  37          HE1       MET  37  -5.775  -9.534  -1.453
  306   2HE   MET  37          HE2       MET  37  -5.355  -7.942  -2.083
  307   3HE   MET  37          HE3       MET  37  -6.868  -8.171  -1.205
  308    H    ASP  38           HN       ASP  38  -6.486  -6.475   4.120
  309    HA   ASP  38           HA       ASP  38  -6.943  -3.657   4.740
  310   1HB   ASP  38          HB2       ASP  38  -7.627  -5.679   6.214
  311   2HB   ASP  38          HB1       ASP  38  -5.926  -5.727   6.676
  312    H    LEU  39           HN       LEU  39  -5.377  -2.381   4.154
  313    HA   LEU  39           HA       LEU  39  -2.640  -3.334   3.951
  314   1HB   LEU  39          HB2       LEU  39  -4.024  -0.782   3.140
  315   2HB   LEU  39          HB1       LEU  39  -2.275  -0.900   3.146
  316    HG   LEU  39           HG       LEU  39  -2.272  -2.515   1.418
  317   1HD1  LEU  39          HD11      LEU  39  -4.171  -3.867   2.149
  318   2HD1  LEU  39          HD12      LEU  39  -4.276  -3.462   0.436
  319   3HD1  LEU  39          HD13      LEU  39  -5.274  -2.601   1.610
  320   1HD2  LEU  39          HD21      LEU  39  -2.586  -0.190   0.737
  321   2HD2  LEU  39          HD22      LEU  39  -4.335  -0.415   0.785
  322   3HD2  LEU  39          HD23      LEU  39  -3.362  -1.308  -0.385
  323    H    VAL  40           HN       VAL  40  -1.446  -3.324   5.704
  324    HA   VAL  40           HA       VAL  40  -2.023  -1.294   7.754
  325    HB   VAL  40           HB       VAL  40  -1.266  -4.198   8.023
  326   1HG1  VAL  40          HG11      VAL  40  -1.219  -2.109  10.196
  327   2HG1  VAL  40          HG12      VAL  40   0.179  -2.955   9.533
  328   3HG1  VAL  40          HG13      VAL  40  -1.047  -3.848  10.431
  329   1HG2  VAL  40          HG21      VAL  40  -3.250  -4.262   9.453
  330   2HG2  VAL  40          HG22      VAL  40  -3.632  -3.694   7.828
  331   3HG2  VAL  40          HG23      VAL  40  -3.511  -2.543   9.159
  332    H    HIS  41           HN       HIS  41  -0.428   0.156   7.810
  333    HA   HIS  41           HA       HIS  41   1.566   0.919   8.570
  334   1HB   HIS  41          HB2       HIS  41   1.747  -1.127   9.928
  335   2HB   HIS  41          HB1       HIS  41   2.423  -1.979   8.556
  336    HD1  HIS  41           HD1      HIS  41   4.402  -2.460  10.295
  337    HD2  HIS  41           HD2      HIS  41   4.041   1.468   8.965
  338    HE1  HIS  41           HE1      HIS  41   6.582  -1.345  10.865
  339    HE2  HIS  41           HE2      HIS  41   6.224   1.081  10.301
  340    H    THR  42           HN       THR  42   1.872   2.056   6.688
  341    HA   THR  42           HA       THR  42   3.697   0.947   4.719
  342    HB   THR  42           HB       THR  42   2.065   2.649   3.959
  343    HG1  THR  42           HG1      THR  42   3.573   3.146   2.597
  344   1HG2  THR  42          HG21      THR  42   1.807   3.968   5.960
  345   2HG2  THR  42          HG22      THR  42   2.394   5.015   4.668
  346   3HG2  THR  42          HG23      THR  42   3.507   4.444   5.916
  347    H    TYR  43           HN       TYR  43   5.856   0.916   5.039
  348    HA   TYR  43           HA       TYR  43   6.928   2.974   6.830
  349   1HB   TYR  43          HB2       TYR  43   6.877   0.518   7.729
  350   2HB   TYR  43          HB1       TYR  43   8.275   0.305   6.671
  351    HD1  TYR  43           HD1      TYR  43   7.061   2.887   9.113
  352    HD2  TYR  43           HD2      TYR  43  10.295   0.546   7.660
  353    HE1  TYR  43           HE1      TYR  43   8.535   3.857  10.831
  354    HE2  TYR  43           HE2      TYR  43  11.770   1.495   9.357
  355    HH   TYR  43           HH       TYR  43  11.877   3.603  10.717
  356    H    VAL  44           HN       VAL  44   8.794   3.939   6.241
  357    HA   VAL  44           HA       VAL  44  10.331   3.041   3.990
  358    HB   VAL  44           HB       VAL  44   8.327   4.025   2.905
  359   1HG1  VAL  44          HG11      VAL  44   7.745   5.718   4.534
  360   2HG1  VAL  44          HG12      VAL  44   7.979   6.446   2.943
  361   3HG1  VAL  44          HG13      VAL  44   9.231   6.601   4.176
  362   1HG2  VAL  44          HG21      VAL  44   9.536   5.472   1.345
  363   2HG2  VAL  44          HG22      VAL  44  10.429   4.000   1.731
  364   3HG2  VAL  44          HG23      VAL  44  10.891   5.533   2.473
  365    HA   PRO  45           HA       PRO  45  13.187   5.385   6.481
  366   1HB   PRO  45          HB2       PRO  45  15.099   5.085   4.297
  367   2HB   PRO  45          HB1       PRO  45  15.135   4.394   5.920
  368   1HG   PRO  45          HG2       PRO  45  14.702   2.905   3.710
  369   2HG   PRO  45          HG1       PRO  45  14.002   2.510   5.290
  370   1HD   PRO  45          HD2       PRO  45  12.725   3.821   2.923
  371   2HD   PRO  45          HD1       PRO  45  12.062   2.611   4.044
  372    H    SER  46           HN       SER  46  14.875   7.132   6.115
  373    HA   SER  46           HA       SER  46  13.600   9.471   5.421
  374   1HB   SER  46          HB2       SER  46  16.592   9.199   5.328
  375   2HB   SER  46          HB1       SER  46  15.619  10.540   5.939
  376    HG   SER  46           HG       SER  46  16.651   8.858   7.453
  377    H    PHE  47           HN       PHE  47  15.775   7.502   3.464
  378    HA   PHE  47           HA       PHE  47  16.276   9.333   1.410
  379   1HB   PHE  47          HB2       PHE  47  17.574   7.272   1.730
  380   2HB   PHE  47          HB1       PHE  47  16.169   6.311   1.282
  381    HD1  PHE  47           HD1      PHE  47  16.118   5.501  -0.858
  382    HD2  PHE  47           HD2      PHE  47  18.182   9.141  -0.101
  383    HE1  PHE  47           HE1      PHE  47  16.792   5.606  -3.222
  384    HE2  PHE  47           HE2      PHE  47  18.859   9.253  -2.461
  385    HZ   PHE  47           HZ       PHE  47  18.163   7.485  -4.027
  386    H    LYS  48           HN       LYS  48  13.480   7.328   2.018
  387    HA   LYS  48           HA       LYS  48  12.475   8.006  -0.664
  388   1HB   LYS  48          HB2       LYS  48  12.129   5.388   0.800
  389   2HB   LYS  48          HB1       LYS  48  11.368   5.802  -0.730
  390   1HG   LYS  48          HG2       LYS  48  13.503   5.931  -1.821
  391   2HG   LYS  48          HG1       LYS  48  14.341   5.684  -0.289
  392   1HD   LYS  48          HD2       LYS  48  12.447   3.691  -1.524
  393   2HD   LYS  48          HD1       LYS  48  14.197   3.649  -1.728
  394   1HE   LYS  48          HE2       LYS  48  12.737   3.493   0.907
  395   2HE   LYS  48          HE1       LYS  48  13.418   2.121   0.037
  396   1HZ   LYS  48          HZ1       LYS  48  14.887   4.367   1.296
  397   2HZ   LYS  48          HZ2       LYS  48  15.620   3.293   0.217
  398   3HZ   LYS  48          HZ3       LYS  48  14.983   2.719   1.680
  399    H    ARG  49           HN       ARG  49  11.978   8.602   2.503
  400    HA   ARG  49           HA       ARG  49   9.180   8.139   2.749
  401   1HB   ARG  49          HB2       ARG  49   9.283   9.661   4.692
  402   2HB   ARG  49          HB1       ARG  49  10.471   8.366   4.769
  403   1HG   ARG  49          HG2       ARG  49  12.193   9.955   3.992
  404   2HG   ARG  49          HG1       ARG  49  10.975  11.237   4.015
  405   1HD   ARG  49          HD2       ARG  49  10.623  10.808   6.425
  406   2HD   ARG  49          HD1       ARG  49  11.910   9.606   6.377
  407    HE   ARG  49           HE       ARG  49  12.608  12.299   5.497
  408   1HH1  ARG  49          HH11      ARG  49  12.668   9.892   8.055
  409   2HH1  ARG  49          HH12      ARG  49  13.896  10.713   8.971
  410   1HH2  ARG  49          HH21      ARG  49  14.207  13.390   6.729
  411   2HH2  ARG  49          HH22      ARG  49  14.766  12.692   8.215
  412    H    GLY  50           HN       GLY  50  11.087  10.648   1.358
  413   1HA   GLY  50          HA2       GLY  50   8.603  12.133   0.825
  414   2HA   GLY  50          HA1       GLY  50  10.197  12.880   0.877
  415    H    LEU  51           HN       LEU  51   9.442   9.800  -0.624
  416    HA   LEU  51           HA       LEU  51  10.286  10.961  -3.201
  417   1HB   LEU  51          HB2       LEU  51  11.903   9.387  -2.148
  418   2HB   LEU  51          HB1       LEU  51  10.674   8.137  -2.222
  419    HG   LEU  51           HG       LEU  51  10.678   8.317  -4.697
  420   1HD1  LEU  51          HD11      LEU  51  13.020  10.161  -4.248
  421   2HD1  LEU  51          HD12      LEU  51  11.447  10.619  -4.901
  422   3HD1  LEU  51          HD13      LEU  51  12.491   9.521  -5.803
  423   1HD2  LEU  51          HD21      LEU  51  12.826   7.198  -5.031
  424   2HD2  LEU  51          HD22      LEU  51  12.014   6.614  -3.578
  425   3HD2  LEU  51          HD23      LEU  51  13.360   7.744  -3.442
  426    H    GLY  52           HN       GLY  52   7.899   9.039  -1.542
  427   1HA   GLY  52          HA2       GLY  52   5.732   8.862  -2.729
  428   2HA   GLY  52          HA1       GLY  52   6.665   8.465  -4.165
  429    H    LEU  53           HN       LEU  53   8.485   6.866  -2.332
  430    HA   LEU  53           HA       LEU  53   7.644   4.392  -3.224
  431   1HB   LEU  53          HB2       LEU  53   9.944   5.063  -2.449
  432   2HB   LEU  53          HB1       LEU  53   9.376   4.882  -0.803
  433    HG   LEU  53           HG       LEU  53  10.730   2.961  -1.854
  434   1HD1  LEU  53          HD11      LEU  53   9.456   1.268  -0.650
  435   2HD1  LEU  53          HD12      LEU  53   8.070   2.355  -0.574
  436   3HD1  LEU  53          HD13      LEU  53   9.558   2.765   0.279
  437   1HD2  LEU  53          HD21      LEU  53   9.395   1.321  -3.098
  438   2HD2  LEU  53          HD22      LEU  53   9.554   2.843  -3.975
  439   3HD2  LEU  53          HD23      LEU  53   8.048   2.459  -3.139
  440    H    ALA  54           HN       ALA  54   7.123   5.841  -0.023
  441    HA   ALA  54           HA       ALA  54   6.007   3.684   1.300
  442   1HB   ALA  54          HB1       ALA  54   6.556   5.810   2.376
  443   2HB   ALA  54          HB2       ALA  54   4.903   5.313   2.738
  444   3HB   ALA  54          HB3       ALA  54   5.205   6.579   1.546
  445    H    SER  55           HN       SER  55   4.322   6.166  -0.580
  446    HA   SER  55           HA       SER  55   1.781   4.967  -0.468
  447   1HB   SER  55          HB2       SER  55   2.941   6.936  -2.450
  448   2HB   SER  55          HB1       SER  55   1.231   6.516  -2.338
  449    HG   SER  55           HG       SER  55   2.783   8.118  -0.696
  450    H    HIS  56           HN       HIS  56   4.476   4.586  -2.721
  451    HA   HIS  56           HA       HIS  56   3.094   3.132  -4.698
  452   1HB   HIS  56          HB2       HIS  56   5.994   3.229  -3.903
  453   2HB   HIS  56          HB1       HIS  56   5.436   2.063  -5.094
  454    HD1  HIS  56           HD1      HIS  56   4.580   2.989  -7.374
  455    HD2  HIS  56           HD2      HIS  56   6.163   5.865  -4.814
  456    HE1  HIS  56           HE1      HIS  56   4.953   5.037  -8.792
  457    HE2  HIS  56           HE2      HIS  56   6.103   6.679  -7.269
  458    H    LEU  57           HN       LEU  57   4.456   2.186  -1.619
  459    HA   LEU  57           HA       LEU  57   4.195  -0.614  -1.929
  460   1HB   LEU  57          HB2       LEU  57   4.017   1.046   0.596
  461   2HB   LEU  57          HB1       LEU  57   4.251  -0.690   0.528
  462    HG   LEU  57           HG       LEU  57   6.202   1.302  -0.618
  463   1HD1  LEU  57          HD11      LEU  57   6.262  -0.141   2.029
  464   2HD1  LEU  57          HD12      LEU  57   6.022   1.591   1.793
  465   3HD1  LEU  57          HD13      LEU  57   7.561   0.845   1.360
  466   1HD2  LEU  57          HD21      LEU  57   6.329  -0.895  -1.638
  467   2HD2  LEU  57          HD22      LEU  57   6.399  -1.653  -0.047
  468   3HD2  LEU  57          HD23      LEU  57   7.727  -0.629  -0.596
  469    H    CYS  58           HN       CYS  58   2.026   1.889  -0.680
  470    HA   CYS  58           HA       CYS  58  -0.146   0.212  -0.036
  471   1HB   CYS  58          HB2       CYS  58   0.045   2.579   0.683
  472   2HB   CYS  58          HB1       CYS  58  -0.217   3.088  -0.989
  473    HG   CYS  58           HG       CYS  58  -2.787   1.518  -0.829
  474    H    VAL  59           HN       VAL  59   0.777   1.840  -3.022
  475    HA   VAL  59           HA       VAL  59  -1.500   1.146  -4.533
  476    HB   VAL  59           HB       VAL  59   1.311   1.806  -5.427
  477   1HG1  VAL  59          HG11      VAL  59   0.337   2.267  -7.627
  478   2HG1  VAL  59          HG12      VAL  59  -1.228   1.685  -7.059
  479   3HG1  VAL  59          HG13      VAL  59   0.134   0.572  -7.181
  480   1HG2  VAL  59          HG21      VAL  59   0.218   3.593  -4.198
  481   2HG2  VAL  59          HG22      VAL  59  -1.189   3.480  -5.257
  482   3HG2  VAL  59          HG23      VAL  59   0.363   4.013  -5.905
  483    H    ALA  60           HN       ALA  60   1.514  -0.538  -3.864
  484    HA   ALA  60           HA       ALA  60   1.290  -2.614  -5.729
  485   1HB   ALA  60          HB1       ALA  60   2.767  -3.886  -4.252
  486   2HB   ALA  60          HB2       ALA  60   2.489  -2.718  -2.961
  487   3HB   ALA  60          HB3       ALA  60   3.324  -2.224  -4.434
  488    H    ALA  61           HN       ALA  61  -0.155  -2.247  -2.499
  489    HA   ALA  61           HA       ALA  61  -1.344  -4.842  -2.558
  490   1HB   ALA  61          HB1       ALA  61  -2.602  -4.112  -0.623
  491   2HB   ALA  61          HB2       ALA  61  -2.112  -2.442  -0.906
  492   3HB   ALA  61          HB3       ALA  61  -0.908  -3.654  -0.464
  493    H    PHE  62           HN       PHE  62  -2.309  -1.622  -3.571
  494    HA   PHE  62           HA       PHE  62  -4.998  -2.142  -4.177
  495   1HB   PHE  62          HB2       PHE  62  -3.015  -0.234  -5.413
  496   2HB   PHE  62          HB1       PHE  62  -4.676  -0.348  -5.973
  497    HD1  PHE  62           HD1      PHE  62  -6.153  -0.612  -3.454
  498    HD2  PHE  62           HD2      PHE  62  -2.813   1.830  -4.437
  499    HE1  PHE  62           HE1      PHE  62  -6.817   0.987  -1.693
  500    HE2  PHE  62           HE2      PHE  62  -3.475   3.441  -2.694
  501    HZ   PHE  62           HZ       PHE  62  -5.534   3.064  -1.390
  502    H    GLU  63           HN       GLU  63  -2.141  -2.283  -6.279
  503    HA   GLU  63           HA       GLU  63  -3.301  -3.204  -8.616
  504   1HB   GLU  63          HB2       GLU  63  -0.602  -3.901  -7.437
  505   2HB   GLU  63          HB1       GLU  63  -1.063  -4.187  -9.109
  506   1HG   GLU  63          HG2       GLU  63  -1.090  -1.455  -7.866
  507   2HG   GLU  63          HG1       GLU  63   0.337  -2.139  -8.644
  508    H    HIS  64           HN       HIS  64  -2.347  -4.964  -5.758
  509    HA   HIS  64           HA       HIS  64  -2.568  -7.575  -6.863
  510   1HB   HIS  64          HB2       HIS  64  -1.239  -6.854  -4.815
  511   2HB   HIS  64          HB1       HIS  64  -2.764  -6.798  -3.945
  512    HD1  HIS  64           HD1      HIS  64  -0.560  -8.668  -2.999
  513    HD2  HIS  64           HD2      HIS  64  -3.528  -9.824  -5.665
  514    HE1  HIS  64           HE1      HIS  64  -0.705 -11.165  -2.800
  515    HE2  HIS  64           HE2      HIS  64  -2.594 -11.839  -4.326
  516    H    ALA  65           HN       ALA  65  -4.684  -5.629  -4.764
  517    HA   ALA  65           HA       ALA  65  -6.668  -7.680  -4.607
  518   1HB   ALA  65          HB1       ALA  65  -7.972  -6.077  -3.361
  519   2HB   ALA  65          HB2       ALA  65  -6.890  -4.776  -3.854
  520   3HB   ALA  65          HB3       ALA  65  -6.300  -6.063  -2.802
  521    H    SER  66           HN       SER  66  -6.517  -4.524  -6.291
  522    HA   SER  66           HA       SER  66  -9.042  -4.520  -7.412
  523   1HB   SER  66          HB2       SER  66  -8.052  -3.121  -9.233
  524   2HB   SER  66          HB1       SER  66  -7.603  -2.594  -7.611
  525    HG   SER  66           HG       SER  66  -5.585  -3.289  -7.915
  526    H    SER  67           HN       SER  67  -6.130  -6.113  -8.672
  527    HA   SER  67           HA       SER  67  -7.285  -6.973 -11.102
  528   1HB   SER  67          HB2       SER  67  -4.974  -8.191  -9.576
  529   2HB   SER  67          HB1       SER  67  -5.337  -8.435 -11.285
  530    HG   SER  67           HG       SER  67  -4.162  -6.280  -9.997
  531    H    HIS  68           HN       HIS  68  -7.174  -8.397  -7.883
  532    HA   HIS  68           HA       HIS  68  -8.364 -10.883  -8.850
  533   1HB   HIS  68          HB2       HIS  68  -6.539 -10.724  -7.048
  534   2HB   HIS  68          HB1       HIS  68  -7.813 -10.164  -5.972
  535    HD1  HIS  68           HD1      HIS  68  -6.470 -13.189  -7.635
  536    HD2  HIS  68           HD2      HIS  68  -9.694 -12.159  -5.226
  537    HE1  HIS  68           HE1      HIS  68  -7.423 -15.369  -6.801
  538    HE2  HIS  68           HE2      HIS  68  -9.500 -14.717  -5.527
  539    H    SER  69           HN       SER  69  -9.565  -7.979  -8.368
  540    HA   SER  69           HA       SER  69 -11.615  -7.084  -7.971
  541   1HB   SER  69          HB2       SER  69 -12.499  -9.980  -8.064
  542   2HB   SER  69          HB1       SER  69 -13.584  -8.588  -8.114
  543    HG   SER  69           HG       SER  69 -13.015  -8.186 -10.124
  544    H    ILE  70           HN       ILE  70  -9.931  -7.513  -5.786
  545    HA   ILE  70           HA       ILE  70 -11.722  -8.318  -3.602
  546    HB   ILE  70           HB       ILE  70  -8.744  -7.735  -3.523
  547   1HG1  ILE  70          HG12      ILE  70 -10.214 -10.381  -3.541
  548   2HG1  ILE  70          HG11      ILE  70  -9.265  -9.728  -4.869
  549   1HG2  ILE  70          HG21      ILE  70  -8.803  -8.819  -1.329
  550   2HG2  ILE  70          HG22      ILE  70 -10.553  -8.987  -1.459
  551   3HG2  ILE  70          HG23      ILE  70  -9.826  -7.383  -1.369
  552   1HD1  ILE  70          HD11      ILE  70  -8.014 -11.417  -3.674
  553   2HD1  ILE  70          HD12      ILE  70  -8.218 -10.531  -2.164
  554   3HD1  ILE  70          HD13      ILE  70  -7.257  -9.838  -3.469
  555    H    SER  71           HN       SER  71 -12.017  -6.921  -1.780
  556    HA   SER  71           HA       SER  71 -11.864  -4.084  -2.437
  557   1HB   SER  71          HB2       SER  71 -13.073  -5.428  -0.003
  558   2HB   SER  71          HB1       SER  71 -13.336  -3.765  -0.533
  559    HG   SER  71           HG       SER  71 -13.910  -5.431  -2.547
  560    H    ILE  72           HN       ILE  72 -11.149  -2.629  -0.534
  561    HA   ILE  72           HA       ILE  72  -8.897  -3.816   0.928
  562    HB   ILE  72           HB       ILE  72  -8.718  -1.480  -0.996
  563   1HG1  ILE  72          HG12      ILE  72  -7.448  -4.203  -0.863
  564   2HG1  ILE  72          HG11      ILE  72  -8.420  -3.512  -2.159
  565   1HG2  ILE  72          HG21      ILE  72  -6.635  -2.376   0.990
  566   2HG2  ILE  72          HG22      ILE  72  -7.508  -0.843   0.996
  567   3HG2  ILE  72          HG23      ILE  72  -6.380  -1.209  -0.310
  568   1HD1  ILE  72          HD11      ILE  72  -5.674  -2.557  -1.380
  569   2HD1  ILE  72          HD12      ILE  72  -6.644  -2.007  -2.747
  570   3HD1  ILE  72          HD13      ILE  72  -6.030  -3.658  -2.712
  571    H    ILE  73           HN       ILE  73  -8.238  -2.684   2.746
  572    HA   ILE  73           HA       ILE  73  -9.578  -0.164   3.483
  573    HB   ILE  73           HB       ILE  73  -9.285  -2.646   5.218
  574   1HG1  ILE  73          HG12      ILE  73 -11.336  -2.499   3.857
  575   2HG1  ILE  73          HG11      ILE  73 -11.690  -2.395   5.580
  576   1HG2  ILE  73          HG21      ILE  73  -9.908   0.174   6.102
  577   2HG2  ILE  73          HG22      ILE  73  -8.491  -0.789   6.532
  578   3HG2  ILE  73          HG23      ILE  73 -10.090  -1.264   7.108
  579   1HD1  ILE  73          HD11      ILE  73 -13.044  -0.827   4.336
  580   2HD1  ILE  73          HD12      ILE  73 -11.598  -0.098   3.637
  581   3HD1  ILE  73          HD13      ILE  73 -11.906   0.038   5.367
  582    HA   PRO  74           HA       PRO  74  -5.173   0.300   4.146
  583   1HB   PRO  74          HB2       PRO  74  -5.087   2.928   3.503
  584   2HB   PRO  74          HB1       PRO  74  -5.227   1.641   2.302
  585   1HG   PRO  74          HG2       PRO  74  -7.212   3.614   3.128
  586   2HG   PRO  74          HG1       PRO  74  -7.222   2.544   1.720
  587   1HD   PRO  74          HD2       PRO  74  -8.579   2.230   4.284
  588   2HD   PRO  74          HD1       PRO  74  -8.802   1.312   2.779
  589    H    SER  75           HN       SER  75  -4.862   0.077   6.358
  590    HA   SER  75           HA       SER  75  -5.268   2.294   8.155
  591   1HB   SER  75          HB2       SER  75  -3.522  -0.173   8.363
  592   2HB   SER  75          HB1       SER  75  -3.751   0.998   9.664
  593    HG   SER  75           HG       SER  75  -6.138   0.484   9.113
  594    H    CYS  76           HN       CYS  76  -3.050   1.394   5.771
  595    HA   CYS  76           HA       CYS  76  -0.880   3.102   6.364
  596   1HB   CYS  76          HB2       CYS  76  -1.780   2.272   3.606
  597   2HB   CYS  76          HB1       CYS  76  -0.172   2.762   4.113
  598    HG   CYS  76           HG       CYS  76  -0.393  -0.052   3.591
  599    H    SER  77           HN       SER  77  -3.729   4.147   6.447
  600    HA   SER  77           HA       SER  77  -4.464   5.771   4.388
  601   1HB   SER  77          HB2       SER  77  -5.668   7.072   6.279
  602   2HB   SER  77          HB1       SER  77  -6.067   5.375   6.011
  603    HG   SER  77           HG       SER  77  -4.125   6.241   7.898
  604    H    TYR  78           HN       TYR  78  -1.684   6.429   6.332
  605    HA   TYR  78           HA       TYR  78  -1.513   9.207   5.961
  606   1HB   TYR  78          HB2       TYR  78   0.460   8.652   6.942
  607   2HB   TYR  78          HB1       TYR  78   0.393   7.004   6.328
  608    HD1  TYR  78           HD1      TYR  78   1.412  10.469   5.468
  609    HD2  TYR  78           HD2      TYR  78   1.673   6.351   4.440
  610    HE1  TYR  78           HE1      TYR  78   3.194  10.988   3.853
  611    HE2  TYR  78           HE2      TYR  78   3.445   6.847   2.813
  612    HH   TYR  78           HH       TYR  78   5.030   9.897   2.720
  613    H    VAL  79           HN       VAL  79  -0.751   6.514   3.825
  614    HA   VAL  79           HA       VAL  79  -0.195   7.952   1.469
  615    HB   VAL  79           HB       VAL  79  -1.378   5.187   1.819
  616   1HG1  VAL  79          HG11      VAL  79  -0.080   6.412  -0.612
  617   2HG1  VAL  79          HG12      VAL  79  -1.799   6.065  -0.420
  618   3HG1  VAL  79          HG13      VAL  79  -0.630   4.744  -0.457
  619   1HG2  VAL  79          HG21      VAL  79   0.912   4.388   1.437
  620   2HG2  VAL  79          HG22      VAL  79   0.793   5.389   2.884
  621   3HG2  VAL  79          HG23      VAL  79   1.479   6.058   1.403
  622    H    SER  80           HN       SER  80  -3.121   6.429   2.710
  623    HA   SER  80           HA       SER  80  -4.788   6.937   0.536
  624   1HB   SER  80          HB2       SER  80  -5.651   6.850   3.427
  625   2HB   SER  80          HB1       SER  80  -6.600   6.406   2.005
  626    HG   SER  80           HG       SER  80  -5.019   4.737   1.637
  627    H    ASP  81           HN       ASP  81  -3.969   8.912   3.286
  628    HA   ASP  81           HA       ASP  81  -5.981  10.847   3.032
  629   1HB   ASP  81          HB2       ASP  81  -4.871  10.816   5.092
  630   2HB   ASP  81          HB1       ASP  81  -3.276  10.784   4.349
  631    H    THR  82           HN       THR  82  -2.550  10.933   1.972
  632    HA   THR  82           HA       THR  82  -3.080  13.390   0.505
  633    HB   THR  82           HB       THR  82  -1.040  13.341   1.794
  634    HG1  THR  82           HG1      THR  82  -0.952  14.535  -0.135
  635   1HG2  THR  82          HG21      THR  82   0.831  11.862   1.252
  636   2HG2  THR  82          HG22      THR  82  -0.163  11.033   0.054
  637   3HG2  THR  82          HG23      THR  82  -0.582  10.940   1.765
  638    H    PHE  83           HN       PHE  83  -1.985  10.088  -0.236
  639    HA   PHE  83           HA       PHE  83  -1.476  10.671  -2.984
  640   1HB   PHE  83          HB2       PHE  83  -0.480   8.854  -1.398
  641   2HB   PHE  83          HB1       PHE  83  -1.844   7.897  -1.952
  642    HD1  PHE  83           HD1      PHE  83  -1.337   6.419  -3.605
  643    HD2  PHE  83           HD2      PHE  83   0.656  10.178  -3.541
  644    HE1  PHE  83           HE1      PHE  83  -0.108   5.794  -5.643
  645    HE2  PHE  83           HE2      PHE  83   1.898   9.556  -5.573
  646    HZ   PHE  83           HZ       PHE  83   1.554   7.369  -6.606
  647    H    LEU  84           HN       LEU  84  -4.178   9.161  -1.263
  648    HA   LEU  84           HA       LEU  84  -5.296   8.039  -3.621
  649   1HB   LEU  84          HB2       LEU  84  -6.292   8.403  -0.843
  650   2HB   LEU  84          HB1       LEU  84  -7.412   7.929  -2.107
  651    HG   LEU  84           HG       LEU  84  -4.902   6.444  -1.312
  652   1HD1  LEU  84          HD11      LEU  84  -6.457   4.688  -0.606
  653   2HD1  LEU  84          HD12      LEU  84  -7.812   5.754  -0.975
  654   3HD1  LEU  84          HD13      LEU  84  -6.682   6.177   0.312
  655   1HD2  LEU  84          HD21      LEU  84  -5.302   6.259  -3.693
  656   2HD2  LEU  84          HD22      LEU  84  -6.979   5.803  -3.391
  657   3HD2  LEU  84          HD23      LEU  84  -5.672   4.736  -2.882
  658    HA   PRO  85           HA       PRO  85  -8.046  12.027  -3.794
  659   1HB   PRO  85          HB2       PRO  85  -6.147  13.954  -2.603
  660   2HB   PRO  85          HB1       PRO  85  -7.904  13.865  -2.447
  661   1HG   PRO  85          HG2       PRO  85  -6.295  13.179  -0.428
  662   2HG   PRO  85          HG1       PRO  85  -7.812  12.315  -0.740
  663   1HD   PRO  85          HD2       PRO  85  -4.995  11.498  -1.372
  664   2HD   PRO  85          HD1       PRO  85  -6.360  10.518  -0.789
  665    H    ARG  86           HN       ARG  86  -4.559  11.854  -3.867
  666    HA   ARG  86           HA       ARG  86  -4.153  13.630  -6.048
  667   1HB   ARG  86          HB2       ARG  86  -2.318  13.114  -4.590
  668   2HB   ARG  86          HB1       ARG  86  -2.475  11.393  -4.909
  669   1HG   ARG  86          HG2       ARG  86  -1.673  11.674  -7.149
  670   2HG   ARG  86          HG1       ARG  86  -1.694  13.433  -6.983
  671   1HD   ARG  86          HD2       ARG  86   0.101  13.422  -5.472
  672   2HD   ARG  86          HD1       ARG  86  -0.073  11.699  -5.144
  673    HE   ARG  86           HE       ARG  86   0.576  11.621  -7.713
  674   1HH1  ARG  86          HH11      ARG  86   1.896  13.711  -5.229
  675   2HH1  ARG  86          HH12      ARG  86   3.524  13.644  -5.853
  676   1HH2  ARG  86          HH21      ARG  86   2.712  11.540  -8.550
  677   2HH2  ARG  86          HH22      ARG  86   3.990  12.397  -7.731
  678    H    ASN  87           HN       ASN  87  -4.414  10.082  -5.853
  679    HA   ASN  87           HA       ASN  87  -5.556  10.162  -8.545
  680   1HB   ASN  87          HB2       ASN  87  -4.420   7.946  -9.057
  681   2HB   ASN  87          HB1       ASN  87  -3.387   9.366  -9.075
  682   1HD2  ASN  87          HD21      ASN  87  -1.812   9.600  -7.524
  683   2HD2  ASN  87          HD22      ASN  87  -1.332   8.313  -6.477
  684    HA   PRO  88           HA       PRO  88  -8.409   8.129  -5.684
  685   1HB   PRO  88          HB2       PRO  88 -10.505   9.154  -7.399
  686   2HB   PRO  88          HB1       PRO  88 -10.108   9.623  -5.747
  687   1HG   PRO  88          HG2       PRO  88  -9.755  11.264  -7.884
  688   2HG   PRO  88          HG1       PRO  88  -8.748  11.338  -6.425
  689   1HD   PRO  88          HD2       PRO  88  -8.168  10.033  -9.065
  690   2HD   PRO  88          HD1       PRO  88  -7.106  11.024  -8.042
  691    H    SER  89           HN       SER  89  -7.174   6.598  -7.757
  692    HA   SER  89           HA       SER  89  -9.338   5.502  -9.374
  693   1HB   SER  89          HB2       SER  89  -7.305   4.070 -10.220
  694   2HB   SER  89          HB1       SER  89  -7.439   5.765 -10.690
  695    HG   SER  89           HG       SER  89  -5.840   4.683  -8.601
  696    H    TRP  90           HN       TRP  90  -8.572   5.057  -6.315
  697    HA   TRP  90           HA       TRP  90  -8.877   2.127  -6.419
  698   1HB   TRP  90          HB2       TRP  90  -7.351   3.483  -4.220
  699   2HB   TRP  90          HB1       TRP  90  -7.263   1.811  -4.759
  700    HD1  TRP  90           HD1      TRP  90  -5.592   5.102  -5.161
  701    HE1  TRP  90           HE1      TRP  90  -3.766   4.976  -6.957
  702    HE3  TRP  90           HE3      TRP  90  -6.778   0.558  -7.185
  703    HZ2  TRP  90           HZ2      TRP  90  -2.932   3.179  -8.972
  704    HZ3  TRP  90           HZ3      TRP  90  -5.412  -0.292  -9.052
  705    HH2  TRP  90           HH2      TRP  90  -3.531   0.997  -9.922
  706    H    LYS  91           HN       LYS  91 -10.429   4.822  -5.760
  707    HA   LYS  91           HA       LYS  91 -11.493   4.530  -3.193
  708   1HB   LYS  91          HB2       LYS  91 -11.827   6.569  -4.473
  709   2HB   LYS  91          HB1       LYS  91 -12.766   5.701  -5.678
  710   1HG   LYS  91          HG2       LYS  91 -14.533   5.306  -4.111
  711   2HG   LYS  91          HG1       LYS  91 -13.570   5.968  -2.790
  712   1HD   LYS  91          HD2       LYS  91 -14.361   7.577  -5.209
  713   2HD   LYS  91          HD1       LYS  91 -15.345   7.494  -3.747
  714   1HE   LYS  91          HE2       LYS  91 -13.489   8.389  -2.430
  715   2HE   LYS  91          HE1       LYS  91 -12.479   8.431  -3.885
  716   1HZ   LYS  91          HZ1       LYS  91 -14.991   9.969  -3.506
  717   2HZ   LYS  91          HZ2       LYS  91 -13.961  10.056  -4.850
  718   3HZ   LYS  91          HZ3       LYS  91 -13.429  10.597  -3.334
  719    HA   PRO  92           HA       PRO  92 -14.874   1.651  -5.392
  720   1HB   PRO  92          HB2       PRO  92 -13.632   0.054  -7.282
  721   2HB   PRO  92          HB1       PRO  92 -14.702   1.414  -7.634
  722   1HG   PRO  92          HG2       PRO  92 -11.717   1.320  -7.559
  723   2HG   PRO  92          HG1       PRO  92 -12.788   2.152  -8.704
  724   1HD   PRO  92          HD2       PRO  92 -11.560   3.507  -6.768
  725   2HD   PRO  92          HD1       PRO  92 -13.237   3.885  -7.214
  726    H    LEU  93           HN       LEU  93 -11.640   1.150  -4.446
  727    HA   LEU  93           HA       LEU  93 -12.095  -1.670  -3.809
  728   1HB   LEU  93          HB2       LEU  93  -9.590  -0.031  -3.444
  729   2HB   LEU  93          HB1       LEU  93  -9.730  -1.778  -3.344
  730    HG   LEU  93           HG       LEU  93 -10.246  -0.181  -5.846
  731   1HD1  LEU  93          HD11      LEU  93  -8.063  -1.012  -6.607
  732   2HD1  LEU  93          HD12      LEU  93  -7.787  -1.737  -5.024
  733   3HD1  LEU  93          HD13      LEU  93  -7.902   0.016  -5.184
  734   1HD2  LEU  93          HD21      LEU  93 -11.401  -2.328  -5.776
  735   2HD2  LEU  93          HD22      LEU  93  -9.890  -3.146  -5.374
  736   3HD2  LEU  93          HD23      LEU  93 -10.084  -2.374  -6.948
  737    H    ILE  94           HN       ILE  94 -11.138   1.361  -2.269
  738    HA   ILE  94           HA       ILE  94 -11.673   0.167   0.361
  739    HB   ILE  94           HB       ILE  94 -10.389   1.959   1.331
  740   1HG1  ILE  94          HG12      ILE  94  -9.801   3.113  -1.380
  741   2HG1  ILE  94          HG11      ILE  94 -11.206   3.650  -0.458
  742   1HG2  ILE  94          HG21      ILE  94  -9.100   0.098   0.472
  743   2HG2  ILE  94          HG22      ILE  94  -8.197   1.601   0.288
  744   3HG2  ILE  94          HG23      ILE  94  -8.993   0.874  -1.107
  745   1HD1  ILE  94          HD11      ILE  94  -9.290   5.106  -0.108
  746   2HD1  ILE  94          HD12      ILE  94  -8.355   3.730   0.486
  747   3HD1  ILE  94          HD13      ILE  94  -9.765   4.291   1.383
  748    H    HIS  95           HN       HIS  95 -12.032   2.766   1.629
  749    HA   HIS  95           HA       HIS  95 -14.696   3.434   0.789
  750   1HB   HIS  95          HB2       HIS  95 -12.890   4.458   2.974
  751   2HB   HIS  95          HB1       HIS  95 -14.459   5.195   2.627
  752    HD1  HIS  95           HD1      HIS  95 -16.454   3.139   2.528
  753    HD2  HIS  95           HD2      HIS  95 -13.093   2.627   4.929
  754    HE1  HIS  95           HE1      HIS  95 -17.084   1.385   4.220
  755    HE2  HIS  95           HE2      HIS  95 -15.042   1.095   5.677
  756    H    SER  96           HN       SER  96 -11.933   5.682   1.396
  757    HA   SER  96           HA       SER  96 -11.856   6.517  -1.353
  758   1HB   SER  96          HB2       SER  96 -12.891   8.552   0.646
  759   2HB   SER  96          HB1       SER  96 -12.583   8.820  -1.066
  760    HG   SER  96           HG       SER  96 -14.249   6.774  -0.883
  761    H    GLU  97           HN       GLU  97 -11.166   7.694   1.942
  762    HA   GLU  97           HA       GLU  97  -8.411   8.189   1.401
  763   1HB   GLU  97          HB2       GLU  97  -9.532  10.099   0.287
  764   2HB   GLU  97          HB1       GLU  97 -10.329  10.486   1.803
  765   1HG   GLU  97          HG2       GLU  97  -7.646  10.505   2.448
  766   2HG   GLU  97          HG1       GLU  97  -7.711  11.231   0.841
  767    H    VAL  98           HN       VAL  98  -8.163  10.134   3.600
  768    HA   VAL  98           HA       VAL  98  -8.385   8.161   5.689
  769    HB   VAL  98           HB       VAL  98  -6.315   9.494   5.411
  770   1HG1  VAL  98          HG11      VAL  98  -6.232  11.763   6.345
  771   2HG1  VAL  98          HG12      VAL  98  -7.990  11.749   6.493
  772   3HG1  VAL  98          HG13      VAL  98  -7.238  11.665   4.899
  773   1HG2  VAL  98          HG21      VAL  98  -5.966   9.871   7.812
  774   2HG2  VAL  98          HG22      VAL  98  -6.755   8.331   7.470
  775   3HG2  VAL  98          HG23      VAL  98  -7.702   9.692   8.069
  776    H    PHE  99           HN       PHE  99  -9.646  11.474   5.151
  777    HA   PHE  99           HA       PHE  99 -11.679  10.930   7.192
  778   1HB   PHE  99          HB2       PHE  99  -9.907  13.371   7.056
  779   2HB   PHE  99          HB1       PHE  99 -11.430  13.349   7.940
  780    HD1  PHE  99           HD1      PHE  99 -11.665  11.262   9.582
  781    HD2  PHE  99           HD2      PHE  99  -7.991  12.935   8.242
  782    HE1  PHE  99           HE1      PHE  99 -10.522  10.311  11.541
  783    HE2  PHE  99           HE2      PHE  99  -6.842  11.982  10.198
  784    HZ   PHE  99           HZ       PHE  99  -8.110  10.669  11.852
  785    H    LYS 100           HN       LYS 100 -11.472  11.050   4.229
  786    HA   LYS 100           HA       LYS 100 -12.973  13.175   3.204
  787   1HB   LYS 100          HB2       LYS 100 -13.646  11.383   1.468
  788   2HB   LYS 100          HB1       LYS 100 -11.945  11.805   1.620
  789   1HG   LYS 100          HG2       LYS 100 -12.058   9.454   1.440
  790   2HG   LYS 100          HG1       LYS 100 -11.680   9.813   3.121
  791   1HD   LYS 100          HD2       LYS 100 -14.072   9.533   3.654
  792   2HD   LYS 100          HD1       LYS 100 -14.361   9.029   1.995
  793   1HE   LYS 100          HE2       LYS 100 -14.174   7.042   3.247
  794   2HE   LYS 100          HE1       LYS 100 -12.645   7.218   2.390
  795   1HZ   LYS 100          HZ1       LYS 100 -12.380   6.533   4.723
  796   2HZ   LYS 100          HZ2       LYS 100 -13.082   7.989   5.230
  797   3HZ   LYS 100          HZ3       LYS 100 -11.609   8.003   4.393
  798    H    SER 101           HN       SER 101 -13.817  10.527   5.155
  799    HA   SER 101           HA       SER 101 -15.695   9.669   6.006
  800   1HB   SER 101          HB2       SER 101 -17.160  11.275   6.989
  801   2HB   SER 101          HB1       SER 101 -15.522  11.938   6.960
  802    HG   SER 101           HG       SER 101 -17.299  12.513   4.855
  803    H    SER 102           HN       SER 102 -16.298   8.283   4.428
  804    HA   SER 102           HA       SER 102 -18.517   9.158   2.706
  805   1HB   SER 102          HB2       SER 102 -16.451   6.990   2.166
  806   2HB   SER 102          HB1       SER 102 -17.812   7.403   1.112
  807    HG   SER 102           HG       SER 102 -16.856   9.611   1.146
  808    H    ILE 103           HN       ILE 103 -19.566   6.799   1.946
  809    HA   ILE 103           HA       ILE 103 -20.210   5.478   4.485
  810    HB   ILE 103           HB       ILE 103 -22.189   6.456   3.632
  811   1HG1  ILE 103          HG12      ILE 103 -22.208   3.526   2.883
  812   2HG1  ILE 103          HG11      ILE 103 -22.428   4.169   4.505
  813   1HG2  ILE 103          HG21      ILE 103 -23.058   6.066   1.376
  814   2HG2  ILE 103          HG22      ILE 103 -21.597   5.159   0.980
  815   3HG2  ILE 103          HG23      ILE 103 -21.494   6.879   1.351
  816   1HD1  ILE 103          HD11      ILE 103 -24.248   4.655   2.163
  817   2HD1  ILE 103          HD12      ILE 103 -24.474   5.274   3.798
  818   3HD1  ILE 103          HD13      ILE 103 -24.546   3.537   3.494
  Start of MODEL    6
    1   1H    MET   1           HT1      MET   1  11.752  11.072 -14.823
    2   2H    MET   1           HT2      MET   1  12.627  11.329 -16.251
    3   3H    MET   1           HT3      MET   1  12.605  12.524 -15.045
    4    HA   MET   1           HA       MET   1  13.788   9.822 -14.778
    5   1HB   MET   1          HB2       MET   1  15.083  12.540 -15.058
    6   2HB   MET   1          HB1       MET   1  15.944  11.061 -14.664
    7   1HG   MET   1          HG2       MET   1  15.272  10.117 -16.830
    8   2HG   MET   1          HG1       MET   1  14.456  11.630 -17.219
    9   1HE   MET   1          HE1       MET   1  17.584  11.713 -19.577
   10   2HE   MET   1          HE2       MET   1  15.824  11.760 -19.484
   11   3HE   MET   1          HE3       MET   1  16.687  10.271 -19.101
   12    H    ALA   2           HN       ALA   2  11.998  11.989 -13.170
   13    HA   ALA   2           HA       ALA   2  13.555  12.528 -10.854
   14   1HB   ALA   2          HB1       ALA   2  11.628  13.899 -11.452
   15   2HB   ALA   2          HB2       ALA   2  11.432  13.214  -9.838
   16   3HB   ALA   2          HB3       ALA   2  10.557  12.522 -11.204
   17    H    THR   3           HN       THR   3  11.273  10.017 -11.748
   18    HA   THR   3           HA       THR   3  12.071   8.526  -9.356
   19    HB   THR   3           HB       THR   3   9.891   9.384  -8.827
   20    HG1  THR   3           HG1      THR   3  10.009   6.652  -9.543
   21   1HG2  THR   3          HG21      THR   3   8.923   8.213 -11.438
   22   2HG2  THR   3          HG22      THR   3   9.136   9.929 -11.097
   23   3HG2  THR   3          HG23      THR   3   7.919   9.002 -10.220
   24    H    GLU   4           HN       GLU   4  13.124   6.801 -10.034
   25    HA   GLU   4           HA       GLU   4  12.343   5.501 -12.524
   26   1HB   GLU   4          HB2       GLU   4  14.399   4.124 -12.140
   27   2HB   GLU   4          HB1       GLU   4  14.707   5.846 -12.307
   28   1HG   GLU   4          HG2       GLU   4  14.971   6.064  -9.915
   29   2HG   GLU   4          HG1       GLU   4  14.553   4.365  -9.691
   30    HA   PRO   5           HA       PRO   5   9.792   2.466 -10.657
   31   1HB   PRO   5          HB2       PRO   5  10.663   0.250 -12.120
   32   2HB   PRO   5          HB1       PRO   5   9.389   1.375 -12.598
   33   1HG   PRO   5          HG2       PRO   5  12.256   1.298 -13.416
   34   2HG   PRO   5          HG1       PRO   5  10.823   1.713 -14.373
   35   1HD   PRO   5          HD2       PRO   5  12.471   3.612 -13.467
   36   2HD   PRO   5          HD1       PRO   5  10.713   3.866 -13.506
   37    HA   PRO   6           HA       PRO   6  12.696   0.814  -7.602
   38   1HB   PRO   6          HB2       PRO   6  10.222   0.253  -6.126
   39   2HB   PRO   6          HB1       PRO   6  11.570   1.298  -5.677
   40   1HG   PRO   6          HG2       PRO   6   9.167   2.294  -6.355
   41   2HG   PRO   6          HG1       PRO   6  10.679   3.135  -6.746
   42   1HD   PRO   6          HD2       PRO   6   8.938   1.448  -8.509
   43   2HD   PRO   6          HD1       PRO   6   9.742   2.995  -8.864
   44    H    LYS   7           HN       LYS   7  12.705  -1.332  -6.339
   45    HA   LYS   7           HA       LYS   7  11.602  -3.410  -8.129
   46   1HB   LYS   7          HB2       LYS   7  13.796  -3.830  -6.094
   47   2HB   LYS   7          HB1       LYS   7  13.342  -4.886  -7.415
   48   1HG   LYS   7          HG2       LYS   7  14.638  -2.188  -7.734
   49   2HG   LYS   7          HG1       LYS   7  15.483  -3.735  -7.774
   50   1HD   LYS   7          HD2       LYS   7  15.135  -3.697  -9.980
   51   2HD   LYS   7          HD1       LYS   7  13.448  -4.068  -9.610
   52   1HE   LYS   7          HE2       LYS   7  13.592  -2.152 -11.094
   53   2HE   LYS   7          HE1       LYS   7  12.948  -1.675  -9.522
   54   1HZ   LYS   7          HZ1       LYS   7  15.672  -1.199 -10.596
   55   2HZ   LYS   7          HZ2       LYS   7  15.299  -1.014  -8.956
   56   3HZ   LYS   7          HZ3       LYS   7  14.527  -0.046 -10.106
   57    H    ILE   8           HN       ILE   8   9.548  -3.443  -7.101
   58    HA   ILE   8           HA       ILE   8   9.605  -3.791  -4.217
   59    HB   ILE   8           HB       ILE   8   7.099  -3.526  -5.871
   60   1HG1  ILE   8          HG12      ILE   8   8.646  -1.606  -6.298
   61   2HG1  ILE   8          HG11      ILE   8   7.162  -1.131  -5.475
   62   1HG2  ILE   8          HG21      ILE   8   6.219  -2.657  -3.714
   63   2HG2  ILE   8          HG22      ILE   8   7.780  -3.023  -2.969
   64   3HG2  ILE   8          HG23      ILE   8   6.776  -4.328  -3.612
   65   1HD1  ILE   8          HD11      ILE   8   9.118  -0.005  -4.556
   66   2HD1  ILE   8          HD12      ILE   8   9.837  -1.568  -4.165
   67   3HD1  ILE   8          HD13      ILE   8   8.356  -1.051  -3.357
   68    H    VAL   9           HN       VAL   9   9.531  -5.725  -3.367
   69    HA   VAL   9           HA       VAL   9   8.761  -7.988  -5.051
   70    HB   VAL   9           HB       VAL   9  10.075  -9.345  -3.640
   71   1HG1  VAL   9          HG11      VAL   9  11.534  -6.729  -3.852
   72   2HG1  VAL   9          HG12      VAL   9  11.343  -7.897  -5.162
   73   3HG1  VAL   9          HG13      VAL   9  12.263  -8.329  -3.719
   74   1HG2  VAL   9          HG21      VAL   9   9.328  -8.544  -1.475
   75   2HG2  VAL   9          HG22      VAL   9  10.228  -7.044  -1.702
   76   3HG2  VAL   9          HG23      VAL   9  11.090  -8.574  -1.538
   77    H    TRP  10           HN       TRP  10   7.624  -9.782  -3.889
   78    HA   TRP  10           HA       TRP  10   5.752  -8.675  -1.924
   79   1HB   TRP  10          HB2       TRP  10   4.605  -9.185  -3.993
   80   2HB   TRP  10          HB1       TRP  10   5.257 -10.826  -3.993
   81    HD1  TRP  10           HD1      TRP  10   3.698  -9.061  -0.951
   82    HE1  TRP  10           HE1      TRP  10   1.657 -10.401  -0.175
   83    HE3  TRP  10           HE3      TRP  10   3.557 -12.520  -4.712
   84    HZ2  TRP  10           HZ2      TRP  10   0.164 -12.642  -1.059
   85    HZ3  TRP  10           HZ3      TRP  10   1.783 -14.229  -4.673
   86    HH2  TRP  10           HH2      TRP  10   0.124 -14.287  -2.885
   87    H    ASN  11           HN       ASN  11   6.352  -9.307  -0.007
   88    HA   ASN  11           HA       ASN  11   7.544 -11.910   0.440
   89   1HB   ASN  11          HB2       ASN  11   8.218  -9.754   1.642
   90   2HB   ASN  11          HB1       ASN  11   6.726  -9.935   2.558
   91   1HD2  ASN  11          HD21      ASN  11   9.520 -10.013   3.371
   92   2HD2  ASN  11          HD22      ASN  11   9.735 -11.522   4.197
   93    H    GLU  12           HN       GLU  12   5.721 -13.049  -0.343
   94    HA   GLU  12           HA       GLU  12   3.110 -12.841   0.578
   95   1HB   GLU  12          HB2       GLU  12   2.826 -15.125  -0.338
   96   2HB   GLU  12          HB1       GLU  12   3.632 -14.026  -1.450
   97   1HG   GLU  12          HG2       GLU  12   5.775 -14.998  -0.922
   98   2HG   GLU  12          HG1       GLU  12   5.037 -16.027   0.303
   99    H    GLY  13           HN       GLY  13   5.857 -14.253   2.103
  100   1HA   GLY  13          HA2       GLY  13   4.400 -16.148   3.703
  101   2HA   GLY  13          HA1       GLY  13   6.083 -15.678   3.908
  102    H    LYS  14           HN       LYS  14   5.077 -12.806   3.875
  103    HA   LYS  14           HA       LYS  14   4.231 -12.726   6.697
  104   1HB   LYS  14          HB2       LYS  14   5.563 -10.499   5.157
  105   2HB   LYS  14          HB1       LYS  14   5.369 -10.637   6.902
  106   1HG   LYS  14          HG2       LYS  14   7.098 -12.403   5.188
  107   2HG   LYS  14          HG1       LYS  14   7.666 -11.058   6.175
  108   1HD   LYS  14          HD2       LYS  14   7.044 -12.185   8.188
  109   2HD   LYS  14          HD1       LYS  14   6.204 -13.451   7.284
  110   1HE   LYS  14          HE2       LYS  14   8.240 -14.282   6.394
  111   2HE   LYS  14          HE1       LYS  14   9.142 -12.888   6.977
  112   1HZ   LYS  14          HZ1       LYS  14   9.563 -14.762   8.376
  113   2HZ   LYS  14          HZ2       LYS  14   7.908 -15.023   8.635
  114   3HZ   LYS  14          HZ3       LYS  14   8.657 -13.633   9.257
  115    H    ARG  15           HN       ARG  15   3.046 -12.532   3.706
  116    HA   ARG  15           HA       ARG  15   1.350 -11.495   2.609
  117   1HB   ARG  15          HB2       ARG  15   0.411 -10.853   5.412
  118   2HB   ARG  15          HB1       ARG  15  -0.570 -10.759   3.954
  119   1HG   ARG  15          HG2       ARG  15  -0.497 -13.112   3.659
  120   2HG   ARG  15          HG1       ARG  15   0.737 -13.278   4.908
  121   1HD   ARG  15          HD2       ARG  15  -2.073 -12.298   5.375
  122   2HD   ARG  15          HD1       ARG  15  -1.512 -13.941   5.687
  123    HE   ARG  15           HE       ARG  15  -0.566 -11.531   7.113
  124   1HH1  ARG  15          HH11      ARG  15  -1.100 -14.990   6.947
  125   2HH1  ARG  15          HH12      ARG  15  -0.689 -15.260   8.616
  126   1HH2  ARG  15          HH21      ARG  15  -0.009 -11.890   9.305
  127   2HH2  ARG  15          HH22      ARG  15  -0.055 -13.504   9.948
  128    H    ARG  16           HN       ARG  16   3.481 -10.026   2.397
  129    HA   ARG  16           HA       ARG  16   2.472  -7.320   2.559
  130   1HB   ARG  16          HB2       ARG  16   4.402  -6.431   3.698
  131   2HB   ARG  16          HB1       ARG  16   3.536  -7.545   4.720
  132   1HG   ARG  16          HG2       ARG  16   5.213  -9.223   4.424
  133   2HG   ARG  16          HG1       ARG  16   6.022  -8.265   3.180
  134   1HD   ARG  16          HD2       ARG  16   6.171  -6.466   5.067
  135   2HD   ARG  16          HD1       ARG  16   5.896  -7.834   6.143
  136    HE   ARG  16           HE       ARG  16   8.036  -8.227   4.244
  137   1HH1  ARG  16          HH11      ARG  16   7.166  -7.036   7.427
  138   2HH1  ARG  16          HH12      ARG  16   8.797  -7.109   8.034
  139   1HH2  ARG  16          HH21      ARG  16  10.164  -8.319   5.032
  140   2HH2  ARG  16          HH22      ARG  16  10.496  -7.862   6.678
  141    H    PHE  17           HN       PHE  17   4.171  -5.753   1.750
  142    HA   PHE  17           HA       PHE  17   5.661  -6.982  -0.491
  143   1HB   PHE  17          HB2       PHE  17   4.481  -4.199  -0.476
  144   2HB   PHE  17          HB1       PHE  17   5.295  -4.986  -1.816
  145    HD1  PHE  17           HD1      PHE  17   2.176  -4.343  -0.233
  146    HD2  PHE  17           HD2      PHE  17   4.205  -7.080  -2.784
  147    HE1  PHE  17           HE1      PHE  17   0.012  -5.187  -1.042
  148    HE2  PHE  17           HE2      PHE  17   2.041  -7.916  -3.604
  149    HZ   PHE  17           HZ       PHE  17  -0.065  -6.945  -2.741
  150    H    GLU  18           HN       GLU  18   7.601  -5.804  -1.134
  151    HA   GLU  18           HA       GLU  18   8.751  -4.043   0.892
  152   1HB   GLU  18          HB2       GLU  18   9.599  -6.816   0.311
  153   2HB   GLU  18          HB1       GLU  18  10.881  -5.634   0.512
  154   1HG   GLU  18          HG2       GLU  18  10.126  -5.119   2.718
  155   2HG   GLU  18          HG1       GLU  18   8.683  -6.111   2.510
  156    H    THR  19           HN       THR  19  10.368  -2.673   0.104
  157    HA   THR  19           HA       THR  19  10.481  -2.499  -2.771
  158    HB   THR  19           HB       THR  19  10.356  -0.467  -1.337
  159    HG1  THR  19           HG1      THR  19  11.389  -0.406  -3.458
  160   1HG2  THR  19          HG21      THR  19  12.351   0.263  -0.135
  161   2HG2  THR  19          HG22      THR  19  13.145  -1.261  -0.530
  162   3HG2  THR  19          HG23      THR  19  11.720  -1.253   0.508
  163    H    GLU  20           HN       GLU  20  12.975  -1.850  -3.469
  164    HA   GLU  20           HA       GLU  20  14.290  -4.330  -3.649
  165   1HB   GLU  20          HB2       GLU  20  16.063  -3.128  -4.758
  166   2HB   GLU  20          HB1       GLU  20  14.530  -2.444  -5.240
  167   1HG   GLU  20          HG2       GLU  20  15.766  -1.129  -2.954
  168   2HG   GLU  20          HG1       GLU  20  16.642  -0.987  -4.479
  169    H    ASP  21           HN       ASP  21  14.151  -2.183  -1.131
  170    HA   ASP  21           HA       ASP  21  16.930  -2.649  -0.354
  171   1HB   ASP  21          HB2       ASP  21  17.046  -0.473   0.349
  172   2HB   ASP  21          HB1       ASP  21  15.979  -0.358  -1.006
  173    H    HIS  22           HN       HIS  22  13.767  -3.365   0.420
  174    HA   HIS  22           HA       HIS  22  12.837  -4.677   2.000
  175   1HB   HIS  22          HB2       HIS  22  15.724  -5.334   2.587
  176   2HB   HIS  22          HB1       HIS  22  14.353  -6.185   3.293
  177    HD1  HIS  22           HD1      HIS  22  12.966  -7.715   1.720
  178    HD2  HIS  22           HD2      HIS  22  16.286  -5.965  -0.070
  179    HE1  HIS  22           HE1      HIS  22  13.336  -8.988  -0.422
  180    HE2  HIS  22           HE2      HIS  22  15.491  -8.069  -1.350
  181    H    GLU  23           HN       GLU  23  14.126  -1.876   2.726
  182    HA   GLU  23           HA       GLU  23  13.689  -2.154   5.624
  183   1HB   GLU  23          HB2       GLU  23  14.852   0.194   4.113
  184   2HB   GLU  23          HB1       GLU  23  14.789  -0.005   5.859
  185   1HG   GLU  23          HG2       GLU  23  16.186  -2.123   5.455
  186   2HG   GLU  23          HG1       GLU  23  16.501  -1.429   3.859
  187    H    ALA  24           HN       ALA  24  12.623  -0.648   2.682
  188    HA   ALA  24           HA       ALA  24  10.296   0.477   4.049
  189   1HB   ALA  24          HB1       ALA  24   9.707   1.417   1.868
  190   2HB   ALA  24          HB2       ALA  24  11.095   0.606   1.142
  191   3HB   ALA  24          HB3       ALA  24  11.342   1.874   2.345
  192    H    PHE  25           HN       PHE  25   8.395  -0.528   4.097
  193    HA   PHE  25           HA       PHE  25   7.675  -2.540   2.170
  194   1HB   PHE  25          HB2       PHE  25   7.319  -4.304   3.890
  195   2HB   PHE  25          HB1       PHE  25   9.018  -3.956   3.575
  196    HD1  PHE  25           HD1      PHE  25   6.316  -3.869   6.014
  197    HD2  PHE  25           HD2      PHE  25  10.360  -2.784   5.260
  198    HE1  PHE  25           HE1      PHE  25   6.665  -3.505   8.424
  199    HE2  PHE  25           HE2      PHE  25  10.718  -2.426   7.665
  200    HZ   PHE  25           HZ       PHE  25   8.858  -2.813   9.255
  201    H    ILE  26           HN       ILE  26   5.531  -3.453   2.633
  202    HA   ILE  26           HA       ILE  26   3.929  -1.893   4.521
  203    HB   ILE  26           HB       ILE  26   3.791  -1.445   1.780
  204   1HG1  ILE  26          HG12      ILE  26   1.882  -0.906   4.043
  205   2HG1  ILE  26          HG11      ILE  26   3.136   0.144   3.394
  206   1HG2  ILE  26          HG21      ILE  26   2.631  -3.530   1.357
  207   2HG2  ILE  26          HG22      ILE  26   1.526  -2.174   1.127
  208   3HG2  ILE  26          HG23      ILE  26   1.435  -3.145   2.597
  209   1HD1  ILE  26          HD11      ILE  26   0.609  -0.672   1.987
  210   2HD1  ILE  26          HD12      ILE  26   1.865   0.380   1.327
  211   3HD1  ILE  26          HD13      ILE  26   0.930   0.895   2.732
  212    H    GLU  27           HN       GLU  27   2.512  -3.123   5.660
  213    HA   GLU  27           HA       GLU  27   2.487  -5.991   4.979
  214   1HB   GLU  27          HB2       GLU  27   3.356  -5.295   7.226
  215   2HB   GLU  27          HB1       GLU  27   1.758  -4.664   7.607
  216   1HG   GLU  27          HG2       GLU  27   0.812  -6.892   7.414
  217   2HG   GLU  27          HG1       GLU  27   2.385  -7.539   6.949
  218    H    TYR  28           HN       TYR  28   0.411  -7.170   5.206
  219    HA   TYR  28           HA       TYR  28  -1.951  -5.546   5.553
  220   1HB   TYR  28          HB2       TYR  28  -2.960  -5.991   3.405
  221   2HB   TYR  28          HB1       TYR  28  -1.390  -5.257   3.132
  222    HD1  TYR  28           HD1      TYR  28  -3.155  -8.531   3.156
  223    HD2  TYR  28           HD2      TYR  28   0.202  -6.316   1.764
  224    HE1  TYR  28           HE1      TYR  28  -2.554 -10.392   1.669
  225    HE2  TYR  28           HE2      TYR  28   0.813  -8.175   0.275
  226    HH   TYR  28           HH       TYR  28  -1.278 -10.932  -0.201
  227    H    LYS  29           HN       LYS  29  -3.945  -6.893   5.344
  228    HA   LYS  29           HA       LYS  29  -3.538  -9.766   5.641
  229   1HB   LYS  29          HB2       LYS  29  -5.147  -9.843   7.553
  230   2HB   LYS  29          HB1       LYS  29  -3.621  -9.068   7.952
  231   1HG   LYS  29          HG2       LYS  29  -5.978  -7.434   7.107
  232   2HG   LYS  29          HG1       LYS  29  -5.821  -8.008   8.770
  233   1HD   LYS  29          HD2       LYS  29  -3.393  -6.800   7.669
  234   2HD   LYS  29          HD1       LYS  29  -4.757  -5.690   7.807
  235   1HE   LYS  29          HE2       LYS  29  -3.892  -7.468  10.061
  236   2HE   LYS  29          HE1       LYS  29  -3.197  -5.870   9.799
  237   1HZ   LYS  29          HZ1       LYS  29  -6.031  -6.536  10.376
  238   2HZ   LYS  29          HZ2       LYS  29  -5.527  -5.001   9.859
  239   3HZ   LYS  29          HZ3       LYS  29  -4.970  -5.627  11.334
  240    H    MET  30           HN       MET  30  -5.766 -10.877   5.582
  241    HA   MET  30           HA       MET  30  -7.532  -9.320   3.799
  242   1HB   MET  30          HB2       MET  30  -8.232 -11.530   2.854
  243   2HB   MET  30          HB1       MET  30  -6.570 -11.088   2.519
  244   1HG   MET  30          HG2       MET  30  -5.788 -12.574   4.252
  245   2HG   MET  30          HG1       MET  30  -7.449 -12.958   4.688
  246   1HE   MET  30          HE1       MET  30  -6.647 -15.519   4.529
  247   2HE   MET  30          HE2       MET  30  -5.051 -15.047   3.947
  248   3HE   MET  30          HE3       MET  30  -5.993 -16.249   3.065
  249    H    ARG  31           HN       ARG  31  -9.180  -8.650   4.883
  250    HA   ARG  31           HA       ARG  31 -10.199 -10.076   7.209
  251   1HB   ARG  31          HB2       ARG  31 -10.761  -7.368   6.004
  252   2HB   ARG  31          HB1       ARG  31 -11.665  -8.002   7.369
  253   1HG   ARG  31          HG2       ARG  31  -9.689  -8.037   8.731
  254   2HG   ARG  31          HG1       ARG  31  -8.685  -7.589   7.351
  255   1HD   ARG  31          HD2       ARG  31  -9.609  -5.429   7.242
  256   2HD   ARG  31          HD1       ARG  31 -10.948  -5.862   8.297
  257    HE   ARG  31           HE       ARG  31  -8.595  -6.207   9.750
  258   1HH1  ARG  31          HH11      ARG  31 -10.377  -3.604   8.233
  259   2HH1  ARG  31          HH12      ARG  31  -9.851  -2.401   9.368
  260   1HH2  ARG  31          HH21      ARG  31  -7.925  -4.621  11.283
  261   2HH2  ARG  31          HH22      ARG  31  -8.468  -2.982  11.097
  262    H    ASN  32           HN       ASN  32 -12.676  -9.953   7.426
  263    HA   ASN  32           HA       ASN  32 -14.656 -10.891   6.821
  264   1HB   ASN  32          HB2       ASN  32 -14.614  -8.686   5.502
  265   2HB   ASN  32          HB1       ASN  32 -14.223  -9.667   4.094
  266   1HD2  ASN  32          HD21      ASN  32 -16.543  -8.007   4.622
  267   2HD2  ASN  32          HD22      ASN  32 -17.921  -9.049   4.488
  268    H    ASN  33           HN       ASN  33 -12.969 -12.797   6.857
  269    HA   ASN  33           HA       ASN  33 -12.495 -14.899   6.167
  270   1HB   ASN  33          HB2       ASN  33 -14.678 -14.398   4.131
  271   2HB   ASN  33          HB1       ASN  33 -13.953 -15.967   4.472
  272   1HD2  ASN  33          HD21      ASN  33 -16.108 -13.508   5.572
  273   2HD2  ASN  33          HD22      ASN  33 -16.781 -14.391   6.898
  274    H    GLY  34           HN       GLY  34 -11.664 -12.283   4.486
  275   1HA   GLY  34          HA2       GLY  34  -9.593 -12.298   3.273
  276   2HA   GLY  34          HA1       GLY  34 -10.028 -13.875   2.635
  277    H    LYS  35           HN       LYS  35 -12.084 -11.008   2.813
  278    HA   LYS  35           HA       LYS  35 -12.117 -10.952  -0.137
  279   1HB   LYS  35          HB2       LYS  35 -14.270 -10.110   1.812
  280   2HB   LYS  35          HB1       LYS  35 -14.357  -9.893   0.071
  281   1HG   LYS  35          HG2       LYS  35 -14.262 -12.494   1.570
  282   2HG   LYS  35          HG1       LYS  35 -15.640 -11.814   0.700
  283   1HD   LYS  35          HD2       LYS  35 -14.214 -11.899  -1.384
  284   2HD   LYS  35          HD1       LYS  35 -13.052 -12.846  -0.453
  285   1HE   LYS  35          HE2       LYS  35 -14.404 -14.395  -1.636
  286   2HE   LYS  35          HE1       LYS  35 -14.931 -14.448   0.047
  287   1HZ   LYS  35          HZ1       LYS  35 -16.274 -12.978  -2.161
  288   2HZ   LYS  35          HZ2       LYS  35 -16.779 -12.979  -0.540
  289   3HZ   LYS  35          HZ3       LYS  35 -16.820 -14.413  -1.440
  290    H    VAL  36           HN       VAL  36 -11.338  -9.238   2.691
  291    HA   VAL  36           HA       VAL  36 -11.033  -6.751   1.146
  292    HB   VAL  36           HB       VAL  36 -11.860  -7.072   4.032
  293   1HG1  VAL  36          HG11      VAL  36 -11.864  -4.622   4.158
  294   2HG1  VAL  36          HG12      VAL  36 -11.175  -4.540   2.537
  295   3HG1  VAL  36          HG13      VAL  36 -10.246  -5.252   3.856
  296   1HG2  VAL  36          HG21      VAL  36 -13.852  -5.842   3.344
  297   2HG2  VAL  36          HG22      VAL  36 -13.662  -7.321   2.402
  298   3HG2  VAL  36          HG23      VAL  36 -13.240  -5.762   1.692
  299    H    MET  37           HN       MET  37  -9.004  -6.130   0.951
  300    HA   MET  37           HA       MET  37  -6.985  -7.315   2.675
  301   1HB   MET  37          HB2       MET  37  -7.049  -6.159  -0.015
  302   2HB   MET  37          HB1       MET  37  -5.666  -5.621   0.932
  303   1HG   MET  37          HG2       MET  37  -5.159  -7.601  -0.411
  304   2HG   MET  37          HG1       MET  37  -4.982  -7.899   1.316
  305   1HE   MET  37          HE1       MET  37  -4.936 -10.526   0.806
  306   2HE   MET  37          HE2       MET  37  -5.128 -10.182  -0.912
  307   3HE   MET  37          HE3       MET  37  -6.186 -11.352  -0.124
  308    H    ASP  38           HN       ASP  38  -6.473  -6.383   4.459
  309    HA   ASP  38           HA       ASP  38  -6.903  -3.521   4.796
  310   1HB   ASP  38          HB2       ASP  38  -7.745  -5.131   6.487
  311   2HB   ASP  38          HB1       ASP  38  -6.093  -5.648   6.793
  312    H    LEU  39           HN       LEU  39  -5.317  -2.307   4.117
  313    HA   LEU  39           HA       LEU  39  -2.592  -3.284   3.978
  314   1HB   LEU  39          HB2       LEU  39  -3.967  -0.764   3.060
  315   2HB   LEU  39          HB1       LEU  39  -2.220  -0.892   3.047
  316    HG   LEU  39           HG       LEU  39  -2.231  -2.539   1.374
  317   1HD1  LEU  39          HD11      LEU  39  -4.023  -3.962   2.187
  318   2HD1  LEU  39          HD12      LEU  39  -4.251  -3.578   0.480
  319   3HD1  LEU  39          HD13      LEU  39  -5.215  -2.756   1.706
  320   1HD2  LEU  39          HD21      LEU  39  -4.392  -0.542   0.728
  321   2HD2  LEU  39          HD22      LEU  39  -3.440  -1.454  -0.444
  322   3HD2  LEU  39          HD23      LEU  39  -2.656  -0.266   0.597
  323    H    VAL  40           HN       VAL  40  -1.443  -3.236   5.765
  324    HA   VAL  40           HA       VAL  40  -1.971  -1.076   7.685
  325    HB   VAL  40           HB       VAL  40  -1.295  -3.973   8.203
  326   1HG1  VAL  40          HG11      VAL  40  -1.490  -1.706  10.180
  327   2HG1  VAL  40          HG12      VAL  40  -0.025  -2.583   9.742
  328   3HG1  VAL  40          HG13      VAL  40  -1.332  -3.414  10.585
  329   1HG2  VAL  40          HG21      VAL  40  -3.411  -3.948   9.434
  330   2HG2  VAL  40          HG22      VAL  40  -3.633  -3.538   7.733
  331   3HG2  VAL  40          HG23      VAL  40  -3.660  -2.269   8.958
  332    H    HIS  41           HN       HIS  41  -0.334   0.261   7.839
  333    HA   HIS  41           HA       HIS  41   1.681   0.966   8.585
  334   1HB   HIS  41          HB2       HIS  41   1.743  -1.248   9.837
  335   2HB   HIS  41          HB1       HIS  41   2.679  -1.877   8.493
  336    HD1  HIS  41           HD1      HIS  41   3.080  -0.392  11.707
  337    HD2  HIS  41           HD2      HIS  41   5.176  -0.215   8.115
  338    HE1  HIS  41           HE1      HIS  41   5.399   0.374  12.309
  339    HE2  HIS  41           HE2      HIS  41   6.711   0.188  10.167
  340    H    THR  42           HN       THR  42   2.060   2.107   6.731
  341    HA   THR  42           HA       THR  42   3.775   0.896   4.715
  342    HB   THR  42           HB       THR  42   2.145   2.607   3.947
  343    HG1  THR  42           HG1      THR  42   3.574   3.181   2.515
  344   1HG2  THR  42          HG21      THR  42   3.747   4.493   5.685
  345   2HG2  THR  42          HG22      THR  42   2.072   4.003   5.952
  346   3HG2  THR  42          HG23      THR  42   2.493   4.970   4.538
  347    H    TYR  43           HN       TYR  43   5.978   1.128   4.703
  348    HA   TYR  43           HA       TYR  43   7.109   3.082   6.558
  349   1HB   TYR  43          HB2       TYR  43   6.997   0.639   7.497
  350   2HB   TYR  43          HB1       TYR  43   8.375   0.371   6.430
  351    HD1  TYR  43           HD1      TYR  43   7.282   3.125   8.673
  352    HD2  TYR  43           HD2      TYR  43  10.397   0.441   7.590
  353    HE1  TYR  43           HE1      TYR  43   8.730   4.151  10.355
  354    HE2  TYR  43           HE2      TYR  43  11.865   1.458   9.285
  355    HH   TYR  43           HH       TYR  43  12.119   3.435  10.545
  356    H    VAL  44           HN       VAL  44   9.040   3.921   5.972
  357    HA   VAL  44           HA       VAL  44  10.491   2.934   3.696
  358    HB   VAL  44           HB       VAL  44   8.630   4.138   2.605
  359   1HG1  VAL  44          HG11      VAL  44   9.642   6.540   4.108
  360   2HG1  VAL  44          HG12      VAL  44   8.068   5.763   4.280
  361   3HG1  VAL  44          HG13      VAL  44   8.483   6.591   2.778
  362   1HG2  VAL  44          HG21      VAL  44  11.300   5.495   2.350
  363   2HG2  VAL  44          HG22      VAL  44   9.982   5.615   1.184
  364   3HG2  VAL  44          HG23      VAL  44  10.757   4.058   1.483
  365    HA   PRO  45           HA       PRO  45  13.498   4.986   6.276
  366   1HB   PRO  45          HB2       PRO  45  15.701   4.477   4.816
  367   2HB   PRO  45          HB1       PRO  45  14.869   3.216   5.735
  368   1HG   PRO  45          HG2       PRO  45  14.720   3.841   2.813
  369   2HG   PRO  45          HG1       PRO  45  14.832   2.263   3.615
  370   1HD   PRO  45          HD2       PRO  45  12.490   3.309   2.683
  371   2HD   PRO  45          HD1       PRO  45  12.582   2.188   4.055
  372    H    SER  46           HN       SER  46  15.345   6.549   5.980
  373    HA   SER  46           HA       SER  46  14.510   8.952   4.901
  374   1HB   SER  46          HB2       SER  46  16.208   8.845   6.618
  375   2HB   SER  46          HB1       SER  46  17.301   7.976   5.543
  376    HG   SER  46           HG       SER  46  17.679   9.788   4.417
  377    H    PHE  47           HN       PHE  47  16.075   6.319   3.327
  378    HA   PHE  47           HA       PHE  47  17.321   7.638   1.193
  379   1HB   PHE  47          HB2       PHE  47  16.152   4.864   1.381
  380   2HB   PHE  47          HB1       PHE  47  17.162   5.418   0.049
  381    HD1  PHE  47           HD1      PHE  47  17.106   4.541   3.618
  382    HD2  PHE  47           HD2      PHE  47  19.527   5.651   0.297
  383    HE1  PHE  47           HE1      PHE  47  19.119   3.903   4.876
  384    HE2  PHE  47           HE2      PHE  47  21.545   5.009   1.551
  385    HZ   PHE  47           HZ       PHE  47  21.342   4.136   3.842
  386    H    LYS  48           HN       LYS  48  13.974   6.707   1.695
  387    HA   LYS  48           HA       LYS  48  13.354   7.645  -1.032
  388   1HB   LYS  48          HB2       LYS  48  12.062   5.362   0.453
  389   2HB   LYS  48          HB1       LYS  48  11.559   5.966  -1.115
  390   1HG   LYS  48          HG2       LYS  48  13.511   5.148  -2.162
  391   2HG   LYS  48          HG1       LYS  48  14.298   4.840  -0.607
  392   1HD   LYS  48          HD2       LYS  48  12.898   3.033  -0.124
  393   2HD   LYS  48          HD1       LYS  48  11.707   3.517  -1.330
  394   1HE   LYS  48          HE2       LYS  48  12.906   1.572  -2.087
  395   2HE   LYS  48          HE1       LYS  48  13.303   2.953  -3.105
  396   1HZ   LYS  48          HZ1       LYS  48  14.984   1.850  -0.913
  397   2HZ   LYS  48          HZ2       LYS  48  15.369   3.205  -1.860
  398   3HZ   LYS  48          HZ3       LYS  48  15.259   1.678  -2.584
  399    H    ARG  49           HN       ARG  49  13.119   8.676   1.929
  400    HA   ARG  49           HA       ARG  49  10.336   8.902   2.430
  401   1HB   ARG  49          HB2       ARG  49  10.963  10.566   4.133
  402   2HB   ARG  49          HB1       ARG  49  11.924   9.101   4.252
  403   1HG   ARG  49          HG2       ARG  49  13.814  10.167   3.259
  404   2HG   ARG  49          HG1       ARG  49  12.862  11.609   2.881
  405   1HD   ARG  49          HD2       ARG  49  12.513  11.972   5.297
  406   2HD   ARG  49          HD1       ARG  49  13.535  10.575   5.633
  407    HE   ARG  49           HE       ARG  49  14.721  12.696   4.030
  408   1HH1  ARG  49          HH11      ARG  49  14.291  11.305   7.220
  409   2HH1  ARG  49          HH12      ARG  49  15.752  12.000   7.851
  410   1HH2  ARG  49          HH21      ARG  49  16.633  13.635   4.877
  411   2HH2  ARG  49          HH22      ARG  49  17.080  13.313   6.523
  412    H    GLY  50           HN       GLY  50   8.875  10.241   1.629
  413   1HA   GLY  50          HA2       GLY  50   7.978  12.204   0.782
  414   2HA   GLY  50          HA1       GLY  50   9.595  12.883   0.718
  415    H    LEU  51           HN       LEU  51  10.071  10.083  -0.793
  416    HA   LEU  51           HA       LEU  51   9.946  11.347  -3.379
  417   1HB   LEU  51          HB2       LEU  51  10.760   8.539  -2.642
  418   2HB   LEU  51          HB1       LEU  51  10.959   9.270  -4.222
  419    HG   LEU  51           HG       LEU  51  12.382  10.036  -1.673
  420   1HD1  LEU  51          HD11      LEU  51  14.374   9.383  -2.879
  421   2HD1  LEU  51          HD12      LEU  51  13.420   9.030  -4.319
  422   3HD1  LEU  51          HD13      LEU  51  13.222   8.048  -2.869
  423   1HD2  LEU  51          HD21      LEU  51  11.780  12.048  -2.958
  424   2HD2  LEU  51          HD22      LEU  51  12.559  11.355  -4.381
  425   3HD2  LEU  51          HD23      LEU  51  13.518  11.753  -2.956
  426    H    GLY  52           HN       GLY  52   8.137   8.860  -1.668
  427   1HA   GLY  52          HA2       GLY  52   5.761   8.836  -2.633
  428   2HA   GLY  52          HA1       GLY  52   6.584   8.431  -4.130
  429    H    LEU  53           HN       LEU  53   8.535   6.795  -2.425
  430    HA   LEU  53           HA       LEU  53   7.577   4.364  -3.309
  431   1HB   LEU  53          HB2       LEU  53   9.937   5.027  -2.640
  432   2HB   LEU  53          HB1       LEU  53   9.473   4.659  -0.990
  433    HG   LEU  53           HG       LEU  53  10.733   2.873  -2.392
  434   1HD1  LEU  53          HD11      LEU  53   9.572   1.063  -1.242
  435   2HD1  LEU  53          HD12      LEU  53   8.231   2.151  -0.878
  436   3HD1  LEU  53          HD13      LEU  53   9.822   2.448  -0.178
  437   1HD2  LEU  53          HD21      LEU  53   9.282   3.010  -4.354
  438   2HD2  LEU  53          HD22      LEU  53   7.917   2.457  -3.382
  439   3HD2  LEU  53          HD23      LEU  53   9.290   1.387  -3.666
  440    H    ALA  54           HN       ALA  54   7.194   5.778  -0.075
  441    HA   ALA  54           HA       ALA  54   6.137   3.566   1.242
  442   1HB   ALA  54          HB1       ALA  54   6.767   5.651   2.367
  443   2HB   ALA  54          HB2       ALA  54   5.126   5.155   2.787
  444   3HB   ALA  54          HB3       ALA  54   5.384   6.462   1.631
  445    H    SER  55           HN       SER  55   4.459   6.086  -0.590
  446    HA   SER  55           HA       SER  55   1.891   4.959  -0.425
  447   1HB   SER  55          HB2       SER  55   2.983   6.770  -2.589
  448   2HB   SER  55          HB1       SER  55   1.293   6.571  -2.123
  449    HG   SER  55           HG       SER  55   1.779   8.268  -0.937
  450    H    HIS  56           HN       HIS  56   4.578   4.500  -2.668
  451    HA   HIS  56           HA       HIS  56   3.220   3.087  -4.678
  452   1HB   HIS  56          HB2       HIS  56   6.087   3.069  -3.773
  453   2HB   HIS  56          HB1       HIS  56   5.534   1.900  -4.963
  454    HD1  HIS  56           HD1      HIS  56   4.443   2.993  -7.191
  455    HD2  HIS  56           HD2      HIS  56   6.785   5.479  -4.814
  456    HE1  HIS  56           HE1      HIS  56   5.088   4.938  -8.658
  457    HE2  HIS  56           HE2      HIS  56   6.455   6.458  -7.182
  458    H    LEU  57           HN       LEU  57   4.471   2.079  -1.574
  459    HA   LEU  57           HA       LEU  57   4.140  -0.714  -1.934
  460   1HB   LEU  57          HB2       LEU  57   4.058   0.922   0.609
  461   2HB   LEU  57          HB1       LEU  57   4.234  -0.820   0.524
  462    HG   LEU  57           HG       LEU  57   6.231   1.053  -0.731
  463   1HD1  LEU  57          HD11      LEU  57   6.300  -0.160   2.024
  464   2HD1  LEU  57          HD12      LEU  57   6.095   1.551   1.652
  465   3HD1  LEU  57          HD13      LEU  57   7.607   0.737   1.253
  466   1HD2  LEU  57          HD21      LEU  57   6.366  -1.840   0.108
  467   2HD2  LEU  57          HD22      LEU  57   7.695  -0.903  -0.576
  468   3HD2  LEU  57          HD23      LEU  57   6.260  -1.239  -1.547
  469    H    CYS  58           HN       CYS  58   2.060   1.836  -0.660
  470    HA   CYS  58           HA       CYS  58  -0.164   0.214  -0.041
  471   1HB   CYS  58          HB2       CYS  58   0.114   2.543   0.761
  472   2HB   CYS  58          HB1       CYS  58  -0.139   3.123  -0.891
  473    HG   CYS  58           HG       CYS  58  -2.752   1.590  -0.744
  474    H    VAL  59           HN       VAL  59   0.778   1.954  -2.960
  475    HA   VAL  59           HA       VAL  59  -1.525   1.406  -4.476
  476    HB   VAL  59           HB       VAL  59   1.305   1.965  -5.372
  477   1HG1  VAL  59          HG11      VAL  59  -1.242   1.948  -6.995
  478   2HG1  VAL  59          HG12      VAL  59   0.112   0.830  -7.165
  479   3HG1  VAL  59          HG13      VAL  59   0.322   2.537  -7.558
  480   1HG2  VAL  59          HG21      VAL  59   0.297   3.769  -4.106
  481   2HG2  VAL  59          HG22      VAL  59  -1.125   3.730  -5.148
  482   3HG2  VAL  59          HG23      VAL  59   0.437   4.216  -5.807
  483    H    ALA  60           HN       ALA  60   1.474  -0.403  -4.012
  484    HA   ALA  60           HA       ALA  60   1.027  -2.320  -6.022
  485   1HB   ALA  60          HB1       ALA  60   3.203  -1.987  -4.922
  486   2HB   ALA  60          HB2       ALA  60   2.693  -3.674  -4.882
  487   3HB   ALA  60          HB3       ALA  60   2.550  -2.674  -3.437
  488    H    ALA  61           HN       ALA  61  -0.095  -2.136  -2.649
  489    HA   ALA  61           HA       ALA  61  -1.239  -4.738  -2.651
  490   1HB   ALA  61          HB1       ALA  61  -1.967  -2.319  -1.008
  491   2HB   ALA  61          HB2       ALA  61  -0.765  -3.538  -0.584
  492   3HB   ALA  61          HB3       ALA  61  -2.471  -3.979  -0.687
  493    H    PHE  62           HN       PHE  62  -2.372  -1.519  -3.535
  494    HA   PHE  62           HA       PHE  62  -5.025  -2.166  -4.157
  495   1HB   PHE  62          HB2       PHE  62  -3.152  -0.112  -5.332
  496   2HB   PHE  62          HB1       PHE  62  -4.820  -0.279  -5.863
  497    HD1  PHE  62           HD1      PHE  62  -6.288  -0.658  -3.384
  498    HD2  PHE  62           HD2      PHE  62  -2.966   1.875  -4.211
  499    HE1  PHE  62           HE1      PHE  62  -6.979   0.828  -1.534
  500    HE2  PHE  62           HE2      PHE  62  -3.661   3.378  -2.382
  501    HZ   PHE  62           HZ       PHE  62  -5.748   2.912  -1.128
  502    H    GLU  63           HN       GLU  63  -2.120  -2.159  -6.192
  503    HA   GLU  63           HA       GLU  63  -3.216  -3.009  -8.590
  504   1HB   GLU  63          HB2       GLU  63  -0.524  -3.808  -7.456
  505   2HB   GLU  63          HB1       GLU  63  -0.987  -3.866  -9.150
  506   1HG   GLU  63          HG2       GLU  63  -1.264  -1.401  -9.090
  507   2HG   GLU  63          HG1       GLU  63  -0.647  -1.412  -7.446
  508    H    HIS  64           HN       HIS  64  -2.280  -4.870  -5.772
  509    HA   HIS  64           HA       HIS  64  -2.465  -7.413  -7.065
  510   1HB   HIS  64          HB2       HIS  64  -1.046  -6.898  -5.058
  511   2HB   HIS  64          HB1       HIS  64  -2.518  -6.810  -4.102
  512    HD1  HIS  64           HD1      HIS  64  -0.296  -9.245  -5.891
  513    HD2  HIS  64           HD2      HIS  64  -3.632  -9.265  -3.407
  514    HE1  HIS  64           HE1      HIS  64  -0.596 -11.637  -5.172
  515    HE2  HIS  64           HE2      HIS  64  -2.775 -11.653  -3.909
  516    H    ALA  65           HN       ALA  65  -4.529  -5.658  -4.759
  517    HA   ALA  65           HA       ALA  65  -6.494  -7.702  -4.656
  518   1HB   ALA  65          HB1       ALA  65  -7.867  -6.079  -3.485
  519   2HB   ALA  65          HB2       ALA  65  -6.750  -4.792  -3.938
  520   3HB   ALA  65          HB3       ALA  65  -6.218  -6.085  -2.863
  521    H    SER  66           HN       SER  66  -6.452  -4.530  -6.337
  522    HA   SER  66           HA       SER  66  -8.903  -4.747  -7.619
  523   1HB   SER  66          HB2       SER  66  -7.970  -3.216  -9.347
  524   2HB   SER  66          HB1       SER  66  -7.614  -2.688  -7.702
  525    HG   SER  66           HG       SER  66  -5.528  -3.314  -7.934
  526    H    SER  67           HN       SER  67  -5.824  -6.176  -8.530
  527    HA   SER  67           HA       SER  67  -6.566  -7.084 -11.088
  528   1HB   SER  67          HB2       SER  67  -4.222  -6.925 -10.273
  529   2HB   SER  67          HB1       SER  67  -4.530  -8.280  -9.187
  530    HG   SER  67           HG       SER  67  -4.075  -8.240 -11.913
  531    H    HIS  68           HN       HIS  68  -7.089  -8.379  -7.878
  532    HA   HIS  68           HA       HIS  68  -8.098 -10.889  -9.041
  533   1HB   HIS  68          HB2       HIS  68  -6.242 -10.856  -7.265
  534   2HB   HIS  68          HB1       HIS  68  -7.501 -10.391  -6.127
  535    HD1  HIS  68           HD1      HIS  68  -6.511 -13.249  -8.387
  536    HD2  HIS  68           HD2      HIS  68  -9.019 -12.473  -5.161
  537    HE1  HIS  68           HE1      HIS  68  -7.351 -15.496  -7.624
  538    HE2  HIS  68           HE2      HIS  68  -8.934 -15.000  -5.721
  539    H    SER  69           HN       SER  69  -9.381  -8.060  -8.435
  540    HA   SER  69           HA       SER  69 -11.466  -7.270  -7.991
  541   1HB   SER  69          HB2       SER  69 -12.267 -10.189  -7.933
  542   2HB   SER  69          HB1       SER  69 -13.366  -8.818  -8.061
  543    HG   SER  69           HG       SER  69 -11.378  -8.788  -9.952
  544    H    ILE  70           HN       ILE  70  -9.662  -7.647  -5.836
  545    HA   ILE  70           HA       ILE  70 -11.354  -8.534  -3.611
  546    HB   ILE  70           HB       ILE  70  -8.438  -7.729  -3.535
  547   1HG1  ILE  70          HG12      ILE  70  -9.628 -10.509  -3.706
  548   2HG1  ILE  70          HG11      ILE  70  -8.795  -9.679  -5.017
  549   1HG2  ILE  70          HG21      ILE  70  -8.406  -8.944  -1.409
  550   2HG2  ILE  70          HG22      ILE  70 -10.131  -9.269  -1.569
  551   3HG2  ILE  70          HG23      ILE  70  -9.560  -7.611  -1.377
  552   1HD1  ILE  70          HD11      ILE  70  -7.580 -10.475  -2.381
  553   2HD1  ILE  70          HD12      ILE  70  -6.744  -9.655  -3.700
  554   3HD1  ILE  70          HD13      ILE  70  -7.347 -11.297  -3.925
  555    H    SER  71           HN       SER  71 -11.702  -7.171  -1.788
  556    HA   SER  71           HA       SER  71 -11.713  -4.319  -2.412
  557   1HB   SER  71          HB2       SER  71 -13.769  -5.425  -1.513
  558   2HB   SER  71          HB1       SER  71 -12.889  -5.794  -0.032
  559    HG   SER  71           HG       SER  71 -13.235  -3.161  -1.040
  560    H    ILE  72           HN       ILE  72 -11.081  -2.846  -0.477
  561    HA   ILE  72           HA       ILE  72  -8.794  -3.933   1.001
  562    HB   ILE  72           HB       ILE  72  -8.626  -1.673  -1.014
  563   1HG1  ILE  72          HG12      ILE  72  -7.259  -4.345  -0.771
  564   2HG1  ILE  72          HG11      ILE  72  -8.279  -3.767  -2.084
  565   1HG2  ILE  72          HG21      ILE  72  -6.299  -1.338  -0.312
  566   2HG2  ILE  72          HG22      ILE  72  -6.558  -2.458   1.026
  567   3HG2  ILE  72          HG23      ILE  72  -7.452  -0.941   0.963
  568   1HD1  ILE  72          HD11      ILE  72  -5.571  -2.665  -1.382
  569   2HD1  ILE  72          HD12      ILE  72  -6.590  -2.171  -2.734
  570   3HD1  ILE  72          HD13      ILE  72  -5.914  -3.797  -2.690
  571    H    ILE  73           HN       ILE  73  -8.128  -2.680   2.741
  572    HA   ILE  73           HA       ILE  73  -9.494  -0.146   3.349
  573    HB   ILE  73           HB       ILE  73  -9.300  -2.565   5.160
  574   1HG1  ILE  73          HG12      ILE  73 -11.323  -2.356   3.793
  575   2HG1  ILE  73          HG11      ILE  73 -11.691  -2.168   5.506
  576   1HG2  ILE  73          HG21      ILE  73  -9.990  -1.146   7.037
  577   2HG2  ILE  73          HG22      ILE  73  -9.838   0.280   6.009
  578   3HG2  ILE  73          HG23      ILE  73  -8.408  -0.677   6.408
  579   1HD1  ILE  73          HD11      ILE  73 -11.448   0.042   3.476
  580   2HD1  ILE  73          HD12      ILE  73 -11.751   0.272   5.198
  581   3HD1  ILE  73          HD13      ILE  73 -12.936  -0.570   4.198
  582    HA   PRO  74           HA       PRO  74  -5.107   0.358   4.096
  583   1HB   PRO  74          HB2       PRO  74  -5.100   3.040   3.507
  584   2HB   PRO  74          HB1       PRO  74  -5.052   1.747   2.308
  585   1HG   PRO  74          HG2       PRO  74  -7.174   3.623   2.824
  586   2HG   PRO  74          HG1       PRO  74  -7.099   2.370   1.576
  587   1HD   PRO  74          HD2       PRO  74  -8.450   2.333   4.200
  588   2HD   PRO  74          HD1       PRO  74  -8.767   1.355   2.752
  589    H    SER  75           HN       SER  75  -4.754   0.138   6.285
  590    HA   SER  75           HA       SER  75  -5.281   2.256   8.166
  591   1HB   SER  75          HB2       SER  75  -5.015  -0.135   8.849
  592   2HB   SER  75          HB1       SER  75  -3.321  -0.051   8.368
  593    HG   SER  75           HG       SER  75  -3.672   0.293  10.636
  594    H    CYS  76           HN       CYS  76  -2.939   1.465   5.843
  595    HA   CYS  76           HA       CYS  76  -0.799   3.139   6.492
  596   1HB   CYS  76          HB2       CYS  76  -1.743   2.436   3.708
  597   2HB   CYS  76          HB1       CYS  76  -0.136   2.959   4.188
  598    HG   CYS  76           HG       CYS  76  -0.513   0.094   3.593
  599    H    SER  77           HN       SER  77  -3.514   4.359   6.792
  600    HA   SER  77           HA       SER  77  -4.423   5.948   4.777
  601   1HB   SER  77          HB2       SER  77  -4.579   6.858   7.626
  602   2HB   SER  77          HB1       SER  77  -5.815   6.910   6.370
  603    HG   SER  77           HG       SER  77  -5.805   4.553   6.487
  604    H    TYR  78           HN       TYR  78  -1.466   6.621   6.489
  605    HA   TYR  78           HA       TYR  78  -1.253   9.367   5.990
  606   1HB   TYR  78          HB2       TYR  78   0.759   8.771   6.873
  607   2HB   TYR  78          HB1       TYR  78   0.620   7.118   6.286
  608    HD1  TYR  78           HD1      TYR  78   1.654  10.554   5.303
  609    HD2  TYR  78           HD2      TYR  78   1.788   6.407   4.366
  610    HE1  TYR  78           HE1      TYR  78   3.330  11.004   3.557
  611    HE2  TYR  78           HE2      TYR  78   3.461   6.839   2.624
  612    HH   TYR  78           HH       TYR  78   4.149   8.771   1.188
  613    H    VAL  79           HN       VAL  79  -0.716   6.585   3.875
  614    HA   VAL  79           HA       VAL  79  -0.335   8.022   1.468
  615    HB   VAL  79           HB       VAL  79  -1.438   5.228   1.849
  616   1HG1  VAL  79          HG11      VAL  79  -0.697   4.823  -0.433
  617   2HG1  VAL  79          HG12      VAL  79  -0.164   6.499  -0.569
  618   3HG1  VAL  79          HG13      VAL  79  -1.878   6.133  -0.375
  619   1HG2  VAL  79          HG21      VAL  79   0.853   4.459   1.463
  620   2HG2  VAL  79          HG22      VAL  79   0.738   5.465   2.908
  621   3HG2  VAL  79          HG23      VAL  79   1.405   6.134   1.419
  622    H    SER  80           HN       SER  80  -3.143   6.568   3.033
  623    HA   SER  80           HA       SER  80  -4.983   6.890   0.966
  624   1HB   SER  80          HB2       SER  80  -5.603   7.095   3.915
  625   2HB   SER  80          HB1       SER  80  -6.690   6.570   2.628
  626    HG   SER  80           HG       SER  80  -5.598   4.701   2.445
  627    H    ASP  81           HN       ASP  81  -4.062   9.127   3.517
  628    HA   ASP  81           HA       ASP  81  -6.177  10.960   3.072
  629   1HB   ASP  81          HB2       ASP  81  -5.136  10.880   5.231
  630   2HB   ASP  81          HB1       ASP  81  -3.547  11.201   4.544
  631    H    THR  82           HN       THR  82  -2.747  11.015   2.173
  632    HA   THR  82           HA       THR  82  -3.176  13.460   0.662
  633    HB   THR  82           HB       THR  82  -1.142  13.373   1.976
  634    HG1  THR  82           HG1      THR  82  -0.466  14.579   0.385
  635   1HG2  THR  82          HG21      THR  82  -0.346  11.030   0.249
  636   2HG2  THR  82          HG22      THR  82  -0.713  10.977   1.972
  637   3HG2  THR  82          HG23      THR  82   0.704  11.857   1.399
  638    H    PHE  83           HN       PHE  83  -2.177  10.108  -0.014
  639    HA   PHE  83           HA       PHE  83  -1.580  10.683  -2.745
  640   1HB   PHE  83          HB2       PHE  83  -0.623   8.851  -1.163
  641   2HB   PHE  83          HB1       PHE  83  -1.995   7.904  -1.732
  642    HD1  PHE  83           HD1      PHE  83  -1.554   6.478  -3.433
  643    HD2  PHE  83           HD2      PHE  83   0.567  10.162  -3.262
  644    HE1  PHE  83           HE1      PHE  83  -0.295   5.842  -5.447
  645    HE2  PHE  83           HE2      PHE  83   1.830   9.528  -5.276
  646    HZ   PHE  83           HZ       PHE  83   1.340   7.459  -6.433
  647    H    LEU  84           HN       LEU  84  -4.326   9.165  -1.099
  648    HA   LEU  84           HA       LEU  84  -5.432   8.076  -3.471
  649   1HB   LEU  84          HB2       LEU  84  -6.518   8.594  -0.742
  650   2HB   LEU  84          HB1       LEU  84  -7.598   8.113  -2.038
  651    HG   LEU  84           HG       LEU  84  -5.152   6.517  -1.274
  652   1HD1  LEU  84          HD11      LEU  84  -6.664   5.022  -0.082
  653   2HD1  LEU  84          HD12      LEU  84  -8.004   6.132  -0.376
  654   3HD1  LEU  84          HD13      LEU  84  -6.655   6.630   0.643
  655   1HD2  LEU  84          HD21      LEU  84  -7.628   5.822  -2.851
  656   2HD2  LEU  84          HD22      LEU  84  -6.284   4.739  -2.493
  657   3HD2  LEU  84          HD23      LEU  84  -6.031   6.146  -3.525
  658    HA   PRO  85           HA       PRO  85  -8.038  12.171  -3.761
  659   1HB   PRO  85          HB2       PRO  85  -6.201  14.084  -2.476
  660   2HB   PRO  85          HB1       PRO  85  -7.960  13.968  -2.362
  661   1HG   PRO  85          HG2       PRO  85  -6.357  13.284  -0.325
  662   2HG   PRO  85          HG1       PRO  85  -7.881  12.440  -0.651
  663   1HD   PRO  85          HD2       PRO  85  -5.070  11.582  -1.249
  664   2HD   PRO  85          HD1       PRO  85  -6.458  10.621  -0.693
  665    H    ARG  86           HN       ARG  86  -4.566  11.911  -3.695
  666    HA   ARG  86           HA       ARG  86  -4.077  13.826  -5.763
  667   1HB   ARG  86          HB2       ARG  86  -2.405  13.120  -4.023
  668   2HB   ARG  86          HB1       ARG  86  -2.265  11.577  -4.855
  669   1HG   ARG  86          HG2       ARG  86  -1.512  12.771  -6.876
  670   2HG   ARG  86          HG1       ARG  86  -1.593  14.290  -5.980
  671   1HD   ARG  86          HD2       ARG  86   0.188  11.927  -5.416
  672   2HD   ARG  86          HD1       ARG  86   0.681  13.518  -5.992
  673    HE   ARG  86           HE       ARG  86  -0.688  13.700  -3.500
  674   1HH1  ARG  86          HH11      ARG  86   2.407  12.957  -4.958
  675   2HH1  ARG  86          HH12      ARG  86   3.305  13.252  -3.498
  676   1HH2  ARG  86          HH21      ARG  86   0.488  14.047  -1.574
  677   2HH2  ARG  86          HH22      ARG  86   2.218  13.870  -1.584
  678    H    ASN  87           HN       ASN  87  -4.385  10.302  -5.616
  679    HA   ASN  87           HA       ASN  87  -4.863  10.310  -8.517
  680   1HB   ASN  87          HB2       ASN  87  -3.254   8.192  -7.073
  681   2HB   ASN  87          HB1       ASN  87  -3.655   8.202  -8.786
  682   1HD2  ASN  87          HD21      ASN  87  -1.601   9.442  -6.320
  683   2HD2  ASN  87          HD22      ASN  87  -0.501  10.289  -7.359
  684    HA   PRO  88           HA       PRO  88  -8.255   8.187  -6.241
  685   1HB   PRO  88          HB2       PRO  88 -10.040   9.584  -8.060
  686   2HB   PRO  88          HB1       PRO  88  -9.950   9.683  -6.301
  687   1HG   PRO  88          HG2       PRO  88  -9.232  11.731  -7.940
  688   2HG   PRO  88          HG1       PRO  88  -8.498  11.462  -6.348
  689   1HD   PRO  88          HD2       PRO  88  -7.449  10.754  -9.064
  690   2HD   PRO  88          HD1       PRO  88  -6.590  11.433  -7.666
  691    H    SER  89           HN       SER  89  -7.775   6.178  -7.121
  692    HA   SER  89           HA       SER  89  -9.362   5.483  -9.471
  693   1HB   SER  89          HB2       SER  89  -7.058   6.034 -10.282
  694   2HB   SER  89          HB1       SER  89  -6.427   4.759  -9.243
  695    HG   SER  89           HG       SER  89  -8.209   4.473 -11.442
  696    H    TRP  90           HN       TRP  90  -8.912   4.965  -6.390
  697    HA   TRP  90           HA       TRP  90  -8.870   2.028  -6.570
  698   1HB   TRP  90          HB2       TRP  90  -7.854   3.583  -4.205
  699   2HB   TRP  90          HB1       TRP  90  -7.592   1.887  -4.590
  700    HD1  TRP  90           HD1      TRP  90  -5.899   5.128  -4.805
  701    HE1  TRP  90           HE1      TRP  90  -3.872   5.019  -6.378
  702    HE3  TRP  90           HE3      TRP  90  -6.908   0.678  -7.110
  703    HZ2  TRP  90           HZ2      TRP  90  -2.833   3.274  -8.347
  704    HZ3  TRP  90           HZ3      TRP  90  -5.347  -0.137  -8.832
  705    HH2  TRP  90           HH2      TRP  90  -3.355   1.134  -9.435
  706    H    LYS  91           HN       LYS  91 -10.937   4.410  -6.126
  707    HA   LYS  91           HA       LYS  91 -12.320   3.933  -3.773
  708   1HB   LYS  91          HB2       LYS  91 -12.854   5.778  -5.309
  709   2HB   LYS  91          HB1       LYS  91 -13.495   4.625  -6.472
  710   1HG   LYS  91          HG2       LYS  91 -15.191   3.948  -4.794
  711   2HG   LYS  91          HG1       LYS  91 -14.591   5.217  -3.730
  712   1HD   LYS  91          HD2       LYS  91 -15.710   5.664  -6.496
  713   2HD   LYS  91          HD1       LYS  91 -16.607   5.885  -4.993
  714   1HE   LYS  91          HE2       LYS  91 -15.002   7.603  -4.298
  715   2HE   LYS  91          HE1       LYS  91 -14.118   7.383  -5.810
  716   1HZ   LYS  91          HZ1       LYS  91 -16.068   8.104  -7.022
  717   2HZ   LYS  91          HZ2       LYS  91 -15.605   9.289  -5.902
  718   3HZ   LYS  91          HZ3       LYS  91 -16.939   8.289  -5.580
  719    HA   PRO  92           HA       PRO  92 -14.762   0.387  -6.183
  720   1HB   PRO  92          HB2       PRO  92 -13.067  -1.067  -7.794
  721   2HB   PRO  92          HB1       PRO  92 -14.240   0.117  -8.378
  722   1HG   PRO  92          HG2       PRO  92 -11.309   0.436  -7.870
  723   2HG   PRO  92          HG1       PRO  92 -12.287   1.055  -9.215
  724   1HD   PRO  92          HD2       PRO  92 -11.552   2.648  -7.210
  725   2HD   PRO  92          HD1       PRO  92 -13.165   2.787  -7.936
  726    H    LEU  93           HN       LEU  93 -11.704   0.549  -4.753
  727    HA   LEU  93           HA       LEU  93 -11.797  -2.279  -3.936
  728   1HB   LEU  93          HB2       LEU  93  -9.526  -0.336  -3.549
  729   2HB   LEU  93          HB1       LEU  93  -9.475  -2.085  -3.420
  730    HG   LEU  93           HG       LEU  93  -9.948  -0.548  -5.971
  731   1HD1  LEU  93          HD11      LEU  93  -7.494  -2.001  -4.982
  732   2HD1  LEU  93          HD12      LEU  93  -7.673  -0.254  -5.141
  733   3HD1  LEU  93          HD13      LEU  93  -7.694  -1.277  -6.578
  734   1HD2  LEU  93          HD21      LEU  93  -9.515  -3.491  -5.447
  735   2HD2  LEU  93          HD22      LEU  93  -9.629  -2.739  -7.040
  736   3HD2  LEU  93          HD23      LEU  93 -11.024  -2.733  -5.960
  737    H    ILE  94           HN       ILE  94 -11.434   1.007  -2.750
  738    HA   ILE  94           HA       ILE  94 -11.834   0.057   0.015
  739    HB   ILE  94           HB       ILE  94 -10.532   2.019   0.733
  740   1HG1  ILE  94          HG12      ILE  94 -10.103   2.448  -2.231
  741   2HG1  ILE  94          HG11      ILE  94 -11.031   3.491  -1.158
  742   1HG2  ILE  94          HG21      ILE  94  -9.067   0.349  -1.298
  743   2HG2  ILE  94          HG22      ILE  94  -9.387  -0.107   0.375
  744   3HG2  ILE  94          HG23      ILE  94  -8.337   1.265   0.021
  745   1HD1  ILE  94          HD11      ILE  94  -8.845   4.413  -1.614
  746   2HD1  ILE  94          HD12      ILE  94  -8.084   2.955  -0.979
  747   3HD1  ILE  94          HD13      ILE  94  -9.015   4.004   0.092
  748    H    HIS  95           HN       HIS  95 -12.068   2.628   1.107
  749    HA   HIS  95           HA       HIS  95 -14.638   3.581   0.247
  750   1HB   HIS  95          HB2       HIS  95 -12.591   4.501   2.263
  751   2HB   HIS  95          HB1       HIS  95 -13.963   5.524   1.849
  752    HD1  HIS  95           HD1      HIS  95 -16.047   5.142   3.147
  753    HD2  HIS  95           HD2      HIS  95 -13.413   1.939   3.421
  754    HE1  HIS  95           HE1      HIS  95 -16.998   3.638   4.920
  755    HE2  HIS  95           HE2      HIS  95 -15.477   1.624   4.947
  756    H    SER  96           HN       SER  96 -12.392   5.990   0.972
  757    HA   SER  96           HA       SER  96 -11.108   6.503  -1.468
  758   1HB   SER  96          HB2       SER  96 -13.652   8.045  -0.938
  759   2HB   SER  96          HB1       SER  96 -12.313   8.762  -1.838
  760    HG   SER  96           HG       SER  96 -13.425   6.250  -2.522
  761    H    GLU  97           HN       GLU  97  -9.361   7.624  -0.845
  762    HA   GLU  97           HA       GLU  97  -7.937   8.890   0.382
  763   1HB   GLU  97          HB2       GLU  97  -9.718  10.619  -0.176
  764   2HB   GLU  97          HB1       GLU  97 -10.412  10.298   1.404
  765   1HG   GLU  97          HG2       GLU  97  -8.034  10.876   2.270
  766   2HG   GLU  97          HG1       GLU  97  -7.855  11.655   0.697
  767    H    VAL  98           HN       VAL  98  -8.792  10.037   3.018
  768    HA   VAL  98           HA       VAL  98  -8.425   7.572   4.530
  769    HB   VAL  98           HB       VAL  98  -6.776   9.373   4.832
  770   1HG1  VAL  98          HG11      VAL  98  -8.192  11.309   4.529
  771   2HG1  VAL  98          HG12      VAL  98  -7.392  11.387   6.100
  772   3HG1  VAL  98          HG13      VAL  98  -9.088  10.914   5.997
  773   1HG2  VAL  98          HG21      VAL  98  -6.745   9.352   7.279
  774   2HG2  VAL  98          HG22      VAL  98  -7.129   7.763   6.616
  775   3HG2  VAL  98          HG23      VAL  98  -8.410   8.770   7.291
  776    H    PHE  99           HN       PHE  99 -10.910  10.038   4.041
  777    HA   PHE  99           HA       PHE  99 -12.728   8.954   5.869
  778   1HB   PHE  99          HB2       PHE  99 -11.020   9.585   7.550
  779   2HB   PHE  99          HB1       PHE  99 -11.128  11.256   7.020
  780    HD1  PHE  99           HD1      PHE  99 -13.158   8.503   8.479
  781    HD2  PHE  99           HD2      PHE  99 -12.629  12.703   8.032
  782    HE1  PHE  99           HE1      PHE  99 -14.953   8.900  10.113
  783    HE2  PHE  99           HE2      PHE  99 -14.421  13.105   9.669
  784    HZ   PHE  99           HZ       PHE  99 -15.563  11.202  10.735
  785    H    LYS 100           HN       LYS 100 -11.748  11.220   3.652
  786    HA   LYS 100           HA       LYS 100 -13.227  13.468   3.910
  787   1HB   LYS 100          HB2       LYS 100 -13.331  13.573   1.432
  788   2HB   LYS 100          HB1       LYS 100 -11.732  13.161   2.033
  789   1HG   LYS 100          HG2       LYS 100 -11.770  11.090   1.130
  790   2HG   LYS 100          HG1       LYS 100 -13.502  10.889   1.391
  791   1HD   LYS 100          HD2       LYS 100 -13.343  10.992  -0.918
  792   2HD   LYS 100          HD1       LYS 100 -13.754  12.648  -0.488
  793   1HE   LYS 100          HE2       LYS 100 -10.943  11.686  -0.978
  794   2HE   LYS 100          HE1       LYS 100 -11.963  12.401  -2.221
  795   1HZ   LYS 100          HZ1       LYS 100 -10.689  13.671   0.104
  796   2HZ   LYS 100          HZ2       LYS 100 -12.147  14.318  -0.479
  797   3HZ   LYS 100          HZ3       LYS 100 -10.806  14.208  -1.506
  798    H    SER 101           HN       SER 101 -14.488  10.299   2.925
  799    HA   SER 101           HA       SER 101 -17.203  10.908   3.076
  800   1HB   SER 101          HB2       SER 101 -16.614  12.652   1.434
  801   2HB   SER 101          HB1       SER 101 -15.924  11.418   0.382
  802    HG   SER 101           HG       SER 101 -18.648  11.398   1.220
  803    H    SER 102           HN       SER 102 -17.522   9.766   0.239
  804    HA   SER 102           HA       SER 102 -17.667   7.881  -0.935
  805   1HB   SER 102          HB2       SER 102 -15.896   6.200  -0.813
  806   2HB   SER 102          HB1       SER 102 -15.244   7.833  -0.870
  807    HG   SER 102           HG       SER 102 -15.402   7.438   1.626
  808    H    ILE 103           HN       ILE 103 -17.709   5.353  -0.696
  809    HA   ILE 103           HA       ILE 103 -19.683   4.876   1.419
  810    HB   ILE 103           HB       ILE 103 -20.740   4.673  -0.676
  811   1HG1  ILE 103          HG12      ILE 103 -19.962   1.893   0.231
  812   2HG1  ILE 103          HG11      ILE 103 -21.315   2.846   0.831
  813   1HG2  ILE 103          HG21      ILE 103 -18.459   2.940  -1.611
  814   2HG2  ILE 103          HG22      ILE 103 -18.756   4.613  -2.085
  815   3HG2  ILE 103          HG23      ILE 103 -19.896   3.350  -2.546
  816   1HD1  ILE 103          HD11      ILE 103 -22.351   2.746  -1.385
  817   2HD1  ILE 103          HD12      ILE 103 -22.073   1.142  -0.708
  818   3HD1  ILE 103          HD13      ILE 103 -21.002   1.767  -1.961
  Start of MODEL    7
    1   1H    MET   1           HT1      MET   1  10.977  11.586 -11.265
    2   2H    MET   1           HT2      MET   1  11.579  10.613 -12.518
    3   3H    MET   1           HT3      MET   1  10.129  10.197 -11.740
    4    HA   MET   1           HA       MET   1   9.059  12.166 -12.581
    5   1HB   MET   1          HB2       MET   1  11.718  12.602 -13.946
    6   2HB   MET   1          HB1       MET   1  10.244  13.458 -14.373
    7   1HG   MET   1          HG2       MET   1  11.680  13.552 -11.732
    8   2HG   MET   1          HG1       MET   1  11.604  14.829 -12.946
    9   1HE   MET   1          HE1       MET   1  10.945  15.425  -9.947
   10   2HE   MET   1          HE2       MET   1   9.457  16.366 -10.080
   11   3HE   MET   1          HE3       MET   1  10.777  16.633 -11.218
   12    H    ALA   2           HN       ALA   2  11.236   9.896 -14.174
   13    HA   ALA   2           HA       ALA   2   9.326   9.551 -16.367
   14   1HB   ALA   2          HB1       ALA   2  11.067   8.183 -17.404
   15   2HB   ALA   2          HB2       ALA   2  12.068   8.356 -15.962
   16   3HB   ALA   2          HB3       ALA   2  11.689   9.769 -16.948
   17    H    THR   3           HN       THR   3   9.251   8.570 -13.416
   18    HA   THR   3           HA       THR   3   8.406   6.833 -12.256
   19    HB   THR   3           HB       THR   3   7.518   5.714 -14.925
   20    HG1  THR   3           HG1      THR   3   6.554   7.666 -14.891
   21   1HG2  THR   3          HG21      THR   3   5.736   4.668 -13.614
   22   2HG2  THR   3          HG22      THR   3   6.402   5.361 -12.137
   23   3HG2  THR   3          HG23      THR   3   7.318   4.151 -13.033
   24    H    GLU   4           HN       GLU   4  10.644   6.363 -11.812
   25    HA   GLU   4           HA       GLU   4  11.981   4.240 -13.214
   26   1HB   GLU   4          HB2       GLU   4  13.094   6.129 -11.925
   27   2HB   GLU   4          HB1       GLU   4  12.588   5.311 -10.454
   28   1HG   GLU   4          HG2       GLU   4  14.860   4.758 -10.877
   29   2HG   GLU   4          HG1       GLU   4  13.881   3.323 -11.183
   30    HA   PRO   5           HA       PRO   5   9.592   1.141 -11.044
   31   1HB   PRO   5          HB2       PRO   5  10.702  -1.021 -12.242
   32   2HB   PRO   5          HB1       PRO   5   9.513   0.009 -13.044
   33   1HG   PRO   5          HG2       PRO   5  12.486  -0.022 -13.322
   34   2HG   PRO   5          HG1       PRO   5  11.245   0.157 -14.575
   35   1HD   PRO   5          HD2       PRO   5  12.638   2.257 -13.536
   36   2HD   PRO   5          HD1       PRO   5  10.989   2.402 -14.174
   37    HA   PRO   6           HA       PRO   6  12.727   0.111  -7.939
   38   1HB   PRO   6          HB2       PRO   6  10.415  -0.382  -6.232
   39   2HB   PRO   6          HB1       PRO   6  11.657   0.848  -6.074
   40   1HG   PRO   6          HG2       PRO   6   9.109   1.461  -6.697
   41   2HG   PRO   6          HG1       PRO   6  10.491   2.400  -7.301
   42   1HD   PRO   6          HD2       PRO   6   8.943   0.228  -8.661
   43   2HD   PRO   6          HD1       PRO   6   9.424   1.816  -9.302
   44    H    LYS   7           HN       LYS   7  12.360  -1.874  -6.165
   45    HA   LYS   7           HA       LYS   7  11.286  -4.120  -7.719
   46   1HB   LYS   7          HB2       LYS   7  13.821  -4.048  -7.691
   47   2HB   LYS   7          HB1       LYS   7  13.729  -4.308  -5.959
   48   1HG   LYS   7          HG2       LYS   7  14.142  -6.416  -6.906
   49   2HG   LYS   7          HG1       LYS   7  12.434  -6.416  -6.459
   50   1HD   LYS   7          HD2       LYS   7  13.429  -5.764  -9.229
   51   2HD   LYS   7          HD1       LYS   7  12.973  -7.389  -8.723
   52   1HE   LYS   7          HE2       LYS   7  10.716  -6.715  -8.338
   53   2HE   LYS   7          HE1       LYS   7  11.134  -5.009  -8.532
   54   1HZ   LYS   7          HZ1       LYS   7  10.028  -6.028 -10.494
   55   2HZ   LYS   7          HZ2       LYS   7  11.387  -7.029 -10.699
   56   3HZ   LYS   7          HZ3       LYS   7  11.542  -5.344 -10.837
   57    H    ILE   8           HN       ILE   8   9.375  -4.007  -6.567
   58    HA   ILE   8           HA       ILE   8   9.562  -4.199  -3.665
   59    HB   ILE   8           HB       ILE   8   6.982  -4.103  -5.216
   60   1HG1  ILE   8          HG12      ILE   8   8.424  -2.197  -5.950
   61   2HG1  ILE   8          HG11      ILE   8   7.000  -1.673  -5.061
   62   1HG2  ILE   8          HG21      ILE   8   7.789  -3.224  -2.443
   63   2HG2  ILE   8          HG22      ILE   8   6.866  -4.672  -2.855
   64   3HG2  ILE   8          HG23      ILE   8   6.171  -3.075  -3.136
   65   1HD1  ILE   8          HD11      ILE   8   9.754  -1.948  -3.887
   66   2HD1  ILE   8          HD12      ILE   8   8.326  -1.271  -3.100
   67   3HD1  ILE   8          HD13      ILE   8   9.049  -0.443  -4.481
   68    H    VAL   9           HN       VAL   9   9.758  -6.160  -2.844
   69    HA   VAL   9           HA       VAL   9   8.920  -8.468  -4.440
   70    HB   VAL   9           HB       VAL   9  10.568  -8.427  -1.909
   71   1HG1  VAL   9          HG11      VAL   9   9.524 -10.583  -2.400
   72   2HG1  VAL   9          HG12      VAL   9  11.274 -10.657  -2.604
   73   3HG1  VAL   9          HG13      VAL   9  10.225 -10.558  -4.019
   74   1HG2  VAL   9          HG21      VAL   9  12.515  -8.622  -3.350
   75   2HG2  VAL   9          HG22      VAL   9  11.633  -7.127  -3.669
   76   3HG2  VAL   9          HG23      VAL   9  11.482  -8.495  -4.774
   77    H    TRP  10           HN       TRP  10   7.136  -9.536  -3.986
   78    HA   TRP  10           HA       TRP  10   5.614  -8.929  -1.643
   79   1HB   TRP  10          HB2       TRP  10   4.500  -9.430  -3.751
   80   2HB   TRP  10          HB1       TRP  10   5.204 -11.046  -3.757
   81    HD1  TRP  10           HD1      TRP  10   3.722  -9.531  -0.575
   82    HE1  TRP  10           HE1      TRP  10   1.658 -10.885   0.127
   83    HE3  TRP  10           HE3      TRP  10   3.356 -12.567  -4.666
   84    HZ2  TRP  10           HZ2      TRP  10   0.074 -12.976  -0.933
   85    HZ3  TRP  10           HZ3      TRP  10   1.532 -14.217  -4.749
   86    HH2  TRP  10           HH2      TRP  10  -0.073 -14.416  -2.918
   87    H    ASN  11           HN       ASN  11   6.131  -9.673   0.264
   88    HA   ASN  11           HA       ASN  11   7.296 -12.342   0.523
   89   1HB   ASN  11          HB2       ASN  11   8.252 -10.316   1.755
   90   2HB   ASN  11          HB1       ASN  11   6.801 -10.370   2.752
   91   1HD2  ASN  11          HD21      ASN  11   9.712 -10.878   3.288
   92   2HD2  ASN  11          HD22      ASN  11   9.737 -12.413   4.077
   93    H    GLU  12           HN       GLU  12   5.576 -13.636   0.124
   94    HA   GLU  12           HA       GLU  12   2.938 -13.137   0.924
   95   1HB   GLU  12          HB2       GLU  12   2.566 -15.539   0.307
   96   2HB   GLU  12          HB1       GLU  12   3.338 -14.563  -0.935
   97   1HG   GLU  12          HG2       GLU  12   5.529 -15.466  -0.199
   98   2HG   GLU  12          HG1       GLU  12   4.665 -16.538   0.900
   99    H    GLY  13           HN       GLY  13   5.567 -14.734   2.591
  100   1HA   GLY  13          HA2       GLY  13   3.894 -16.144   4.452
  101   2HA   GLY  13          HA1       GLY  13   5.634 -15.920   4.576
  102    H    LYS  14           HN       LYS  14   5.062 -12.953   4.201
  103    HA   LYS  14           HA       LYS  14   4.410 -12.409   7.012
  104   1HB   LYS  14          HB2       LYS  14   6.125 -10.974   5.003
  105   2HB   LYS  14          HB1       LYS  14   5.519 -10.146   6.426
  106   1HG   LYS  14          HG2       LYS  14   7.798 -10.925   6.732
  107   2HG   LYS  14          HG1       LYS  14   6.695 -11.710   7.862
  108   1HD   LYS  14          HD2       LYS  14   6.698 -13.722   6.565
  109   2HD   LYS  14          HD1       LYS  14   7.607 -12.946   5.269
  110   1HE   LYS  14          HE2       LYS  14   9.524 -12.709   6.713
  111   2HE   LYS  14          HE1       LYS  14   8.623 -13.381   8.073
  112   1HZ   LYS  14          HZ1       LYS  14   8.413 -15.462   6.817
  113   2HZ   LYS  14          HZ2       LYS  14  10.037 -15.055   7.096
  114   3HZ   LYS  14          HZ3       LYS  14   9.352 -14.808   5.565
  115    H    ARG  15           HN       ARG  15   3.089 -12.374   4.019
  116    HA   ARG  15           HA       ARG  15   1.420 -11.278   2.934
  117   1HB   ARG  15          HB2       ARG  15   0.656 -10.567   5.773
  118   2HB   ARG  15          HB1       ARG  15  -0.364 -10.270   4.375
  119   1HG   ARG  15          HG2       ARG  15   0.569 -12.969   5.320
  120   2HG   ARG  15          HG1       ARG  15  -1.033 -12.278   5.590
  121   1HD   ARG  15          HD2       ARG  15  -1.147 -12.068   3.032
  122   2HD   ARG  15          HD1       ARG  15   0.222 -13.181   3.016
  123    HE   ARG  15           HE       ARG  15  -2.466 -13.783   4.063
  124   1HH1  ARG  15          HH11      ARG  15   0.671 -14.891   2.943
  125   2HH1  ARG  15          HH12      ARG  15   0.150 -16.541   2.751
  126   1HH2  ARG  15          HH21      ARG  15  -3.135 -15.943   3.818
  127   2HH2  ARG  15          HH22      ARG  15  -2.000 -17.136   3.256
  128    H    ARG  16           HN       ARG  16   3.604  -9.929   2.558
  129    HA   ARG  16           HA       ARG  16   2.832  -7.139   2.788
  130   1HB   ARG  16          HB2       ARG  16   4.780  -6.432   3.980
  131   2HB   ARG  16          HB1       ARG  16   4.032  -7.729   4.887
  132   1HG   ARG  16          HG2       ARG  16   5.657  -9.292   4.160
  133   2HG   ARG  16          HG1       ARG  16   6.370  -8.101   3.065
  134   1HD   ARG  16          HD2       ARG  16   7.533  -8.475   5.270
  135   2HD   ARG  16          HD1       ARG  16   7.190  -6.803   4.845
  136    HE   ARG  16           HE       ARG  16   5.129  -7.227   6.356
  137   1HH1  ARG  16          HH11      ARG  16   8.318  -8.571   6.818
  138   2HH1  ARG  16          HH12      ARG  16   8.185  -8.644   8.547
  139   1HH2  ARG  16          HH21      ARG  16   4.945  -7.284   8.656
  140   2HH2  ARG  16          HH22      ARG  16   6.270  -7.917   9.586
  141    H    PHE  17           HN       PHE  17   4.284  -5.692   1.627
  142    HA   PHE  17           HA       PHE  17   5.844  -7.039  -0.482
  143   1HB   PHE  17          HB2       PHE  17   4.608  -4.276  -0.617
  144   2HB   PHE  17          HB1       PHE  17   5.459  -5.109  -1.911
  145    HD1  PHE  17           HD1      PHE  17   2.313  -4.361  -0.515
  146    HD2  PHE  17           HD2      PHE  17   4.419  -7.368  -2.670
  147    HE1  PHE  17           HE1      PHE  17   0.177  -5.287  -1.305
  148    HE2  PHE  17           HE2      PHE  17   2.283  -8.300  -3.465
  149    HZ   PHE  17           HZ       PHE  17   0.157  -7.259  -2.783
  150    H    GLU  18           HN       GLU  18   7.975  -6.702  -0.384
  151    HA   GLU  18           HA       GLU  18   8.936  -4.503   1.333
  152   1HB   GLU  18          HB2       GLU  18   9.201  -7.035   1.987
  153   2HB   GLU  18          HB1       GLU  18  10.514  -6.994   0.821
  154   1HG   GLU  18          HG2       GLU  18  11.737  -5.454   2.086
  155   2HG   GLU  18          HG1       GLU  18  10.342  -5.032   3.080
  156    H    THR  19           HN       THR  19  10.168  -3.038   0.413
  157    HA   THR  19           HA       THR  19  10.551  -3.086  -2.394
  158    HB   THR  19           HB       THR  19  10.247  -1.072  -0.809
  159    HG1  THR  19           HG1      THR  19  12.333  -0.473  -2.568
  160   1HG2  THR  19          HG21      THR  19  12.156  -1.590   0.664
  161   2HG2  THR  19          HG22      THR  19  12.269   0.019  -0.048
  162   3HG2  THR  19          HG23      THR  19  13.249  -1.298  -0.688
  163    H    GLU  20           HN       GLU  20  12.848  -2.387  -3.240
  164    HA   GLU  20           HA       GLU  20  14.442  -4.678  -3.224
  165   1HB   GLU  20          HB2       GLU  20  16.007  -3.412  -4.569
  166   2HB   GLU  20          HB1       GLU  20  14.370  -2.999  -5.034
  167   1HG   GLU  20          HG2       GLU  20  15.902  -1.313  -3.106
  168   2HG   GLU  20          HG1       GLU  20  16.047  -1.104  -4.853
  169    H    ASP  21           HN       ASP  21  14.197  -2.391  -0.895
  170    HA   ASP  21           HA       ASP  21  17.015  -2.541  -0.093
  171   1HB   ASP  21          HB2       ASP  21  16.867  -0.325  -0.002
  172   2HB   ASP  21          HB1       ASP  21  15.167  -0.395  -0.406
  173    H    HIS  22           HN       HIS  22  13.833  -3.396   0.690
  174    HA   HIS  22           HA       HIS  22  12.967  -4.782   2.231
  175   1HB   HIS  22          HB2       HIS  22  15.867  -5.262   2.911
  176   2HB   HIS  22          HB1       HIS  22  14.529  -6.175   3.602
  177    HD1  HIS  22           HD1      HIS  22  13.398  -7.927   2.125
  178    HD2  HIS  22           HD2      HIS  22  16.420  -5.816   0.194
  179    HE1  HIS  22           HE1      HIS  22  13.855  -9.189  -0.010
  180    HE2  HIS  22           HE2      HIS  22  15.724  -7.919  -1.142
  181    H    GLU  23           HN       GLU  23  14.395  -1.951   3.030
  182    HA   GLU  23           HA       GLU  23  13.771  -2.178   5.880
  183   1HB   GLU  23          HB2       GLU  23  14.893   0.171   4.336
  184   2HB   GLU  23          HB1       GLU  23  14.792   0.023   6.085
  185   1HG   GLU  23          HG2       GLU  23  16.478  -1.685   4.256
  186   2HG   GLU  23          HG1       GLU  23  17.055  -0.362   5.278
  187    H    ALA  24           HN       ALA  24  12.762  -0.724   2.883
  188    HA   ALA  24           HA       ALA  24  10.372   0.395   4.130
  189   1HB   ALA  24          HB1       ALA  24  11.198   0.392   1.231
  190   2HB   ALA  24          HB2       ALA  24  11.500   1.702   2.373
  191   3HB   ALA  24          HB3       ALA  24   9.844   1.280   1.931
  192    H    PHE  25           HN       PHE  25   8.485  -0.638   4.177
  193    HA   PHE  25           HA       PHE  25   7.853  -2.666   2.232
  194   1HB   PHE  25          HB2       PHE  25   7.383  -4.403   3.956
  195   2HB   PHE  25          HB1       PHE  25   9.095  -4.063   3.736
  196    HD1  PHE  25           HD1      PHE  25   6.252  -3.897   6.004
  197    HD2  PHE  25           HD2      PHE  25  10.359  -2.907   5.478
  198    HE1  PHE  25           HE1      PHE  25   6.463  -3.494   8.421
  199    HE2  PHE  25           HE2      PHE  25  10.577  -2.503   7.892
  200    HZ   PHE  25           HZ       PHE  25   8.641  -2.845   9.377
  201    H    ILE  26           HN       ILE  26   5.702  -3.333   2.286
  202    HA   ILE  26           HA       ILE  26   3.941  -1.755   4.032
  203    HB   ILE  26           HB       ILE  26   4.023  -1.740   1.219
  204   1HG1  ILE  26          HG12      ILE  26   3.261  -0.026   2.923
  205   2HG1  ILE  26          HG11      ILE  26   2.332  -0.107   1.426
  206   1HG2  ILE  26          HG21      ILE  26   1.548  -3.183   2.182
  207   2HG2  ILE  26          HG22      ILE  26   2.790  -3.833   1.110
  208   3HG2  ILE  26          HG23      ILE  26   1.771  -2.499   0.570
  209   1HD1  ILE  26          HD11      ILE  26   1.562  -1.333   4.056
  210   2HD1  ILE  26          HD12      ILE  26   0.633  -1.434   2.560
  211   3HD1  ILE  26          HD13      ILE  26   0.880   0.129   3.343
  212    H    GLU  27           HN       GLU  27   2.574  -2.911   5.272
  213    HA   GLU  27           HA       GLU  27   2.577  -5.824   4.849
  214   1HB   GLU  27          HB2       GLU  27   3.475  -4.928   7.005
  215   2HB   GLU  27          HB1       GLU  27   1.888  -4.253   7.348
  216   1HG   GLU  27          HG2       GLU  27   0.935  -6.494   7.379
  217   2HG   GLU  27          HG1       GLU  27   2.518  -7.179   7.006
  218    H    TYR  28           HN       TYR  28   0.524  -6.963   5.201
  219    HA   TYR  28           HA       TYR  28  -1.874  -5.389   5.470
  220   1HB   TYR  28          HB2       TYR  28  -2.899  -5.957   3.366
  221   2HB   TYR  28          HB1       TYR  28  -1.344  -5.216   3.013
  222    HD1  TYR  28           HD1      TYR  28  -3.206  -8.409   3.067
  223    HD2  TYR  28           HD2      TYR  28   0.381  -6.436   1.897
  224    HE1  TYR  28           HE1      TYR  28  -2.601 -10.338   1.662
  225    HE2  TYR  28           HE2      TYR  28   0.991  -8.356   0.494
  226    HH   TYR  28           HH       TYR  28   0.529 -10.669   0.242
  227    H    LYS  29           HN       LYS  29  -3.832  -6.855   5.272
  228    HA   LYS  29           HA       LYS  29  -3.348  -9.685   5.524
  229   1HB   LYS  29          HB2       LYS  29  -4.644  -9.881   7.657
  230   2HB   LYS  29          HB1       LYS  29  -3.062  -9.146   7.834
  231   1HG   LYS  29          HG2       LYS  29  -5.551  -7.496   7.590
  232   2HG   LYS  29          HG1       LYS  29  -5.006  -8.138   9.140
  233   1HD   LYS  29          HD2       LYS  29  -3.485  -6.275   7.312
  234   2HD   LYS  29          HD1       LYS  29  -4.227  -5.859   8.858
  235   1HE   LYS  29          HE2       LYS  29  -1.996  -7.862   8.496
  236   2HE   LYS  29          HE1       LYS  29  -1.768  -6.183   8.985
  237   1HZ   LYS  29          HZ1       LYS  29  -3.171  -6.637  10.935
  238   2HZ   LYS  29          HZ2       LYS  29  -1.766  -7.593  10.903
  239   3HZ   LYS  29          HZ3       LYS  29  -3.262  -8.273  10.480
  240    H    MET  30           HN       MET  30  -4.947 -10.794   4.602
  241    HA   MET  30           HA       MET  30  -7.151  -9.263   3.507
  242   1HB   MET  30          HB2       MET  30  -6.507 -12.211   3.214
  243   2HB   MET  30          HB1       MET  30  -7.681 -11.305   2.270
  244   1HG   MET  30          HG2       MET  30  -5.857  -9.899   1.403
  245   2HG   MET  30          HG1       MET  30  -4.702 -10.890   2.295
  246   1HE   MET  30          HE1       MET  30  -6.104 -13.791   1.928
  247   2HE   MET  30          HE2       MET  30  -4.364 -13.523   1.814
  248   3HE   MET  30          HE3       MET  30  -5.210 -14.388   0.529
  249    H    ARG  31           HN       ARG  31  -8.845  -8.907   4.650
  250    HA   ARG  31           HA       ARG  31  -9.537 -10.601   6.923
  251   1HB   ARG  31          HB2       ARG  31 -10.359  -7.844   6.021
  252   2HB   ARG  31          HB1       ARG  31 -11.144  -8.667   7.362
  253   1HG   ARG  31          HG2       ARG  31  -9.165  -8.642   8.655
  254   2HG   ARG  31          HG1       ARG  31  -8.178  -8.186   7.265
  255   1HD   ARG  31          HD2       ARG  31  -8.625  -6.314   8.840
  256   2HD   ARG  31          HD1       ARG  31  -9.169  -6.007   7.191
  257    HE   ARG  31           HE       ARG  31 -11.252  -7.112   8.791
  258   1HH1  ARG  31          HH11      ARG  31  -9.475  -4.125   8.227
  259   2HH1  ARG  31          HH12      ARG  31 -10.828  -3.110   8.637
  260   1HH2  ARG  31          HH21      ARG  31 -13.020  -5.773   9.316
  261   2HH2  ARG  31          HH22      ARG  31 -12.841  -4.038   9.246
  262    H    ASN  32           HN       ASN  32 -11.880 -10.947   7.322
  263    HA   ASN  32           HA       ASN  32 -13.887 -11.838   6.747
  264   1HB   ASN  32          HB2       ASN  32 -14.096  -9.525   5.689
  265   2HB   ASN  32          HB1       ASN  32 -13.642 -10.277   4.166
  266   1HD2  ASN  32          HD21      ASN  32 -15.636  -9.600   3.328
  267   2HD2  ASN  32          HD22      ASN  32 -17.090 -10.484   3.668
  268    H    ASN  33           HN       ASN  33 -11.787 -13.431   6.401
  269    HA   ASN  33           HA       ASN  33 -11.186 -15.432   5.508
  270   1HB   ASN  33          HB2       ASN  33 -13.588 -15.828   5.054
  271   2HB   ASN  33          HB1       ASN  33 -13.413 -15.023   3.499
  272   1HD2  ASN  33          HD21      ASN  33 -13.920 -16.756   2.244
  273   2HD2  ASN  33          HD22      ASN  33 -12.923 -18.166   2.110
  274    H    GLY  34           HN       GLY  34 -11.285 -12.551   3.736
  275   1HA   GLY  34          HA2       GLY  34  -9.101 -12.141   2.562
  276   2HA   GLY  34          HA1       GLY  34  -9.430 -13.643   1.714
  277    H    LYS  35           HN       LYS  35 -11.755 -11.141   2.544
  278    HA   LYS  35           HA       LYS  35 -12.206 -10.688  -0.326
  279   1HB   LYS  35          HB2       LYS  35 -14.018 -10.151   2.038
  280   2HB   LYS  35          HB1       LYS  35 -14.414  -9.786   0.364
  281   1HG   LYS  35          HG2       LYS  35 -13.898 -12.530   1.495
  282   2HG   LYS  35          HG1       LYS  35 -15.478 -11.847   1.105
  283   1HD   LYS  35          HD2       LYS  35 -14.862 -11.692  -1.239
  284   2HD   LYS  35          HD1       LYS  35 -13.245 -12.298  -0.872
  285   1HE   LYS  35          HE2       LYS  35 -14.250 -14.403  -0.068
  286   2HE   LYS  35          HE1       LYS  35 -15.842 -13.792  -0.515
  287   1HZ   LYS  35          HZ1       LYS  35 -15.099 -13.659  -2.817
  288   2HZ   LYS  35          HZ2       LYS  35 -14.959 -15.243  -2.225
  289   3HZ   LYS  35          HZ3       LYS  35 -13.577 -14.269  -2.379
  290    H    VAL  36           HN       VAL  36 -11.322  -9.207   2.675
  291    HA   VAL  36           HA       VAL  36 -11.028  -6.622   1.295
  292    HB   VAL  36           HB       VAL  36 -11.724  -7.165   4.187
  293   1HG1  VAL  36          HG11      VAL  36 -11.664  -4.710   4.494
  294   2HG1  VAL  36          HG12      VAL  36 -10.975  -4.547   2.879
  295   3HG1  VAL  36          HG13      VAL  36 -10.073  -5.386   4.139
  296   1HG2  VAL  36          HG21      VAL  36 -13.691  -5.796   3.696
  297   2HG2  VAL  36          HG22      VAL  36 -13.606  -7.206   2.640
  298   3HG2  VAL  36          HG23      VAL  36 -13.146  -5.616   2.028
  299    H    MET  37           HN       MET  37  -8.956  -6.024   1.044
  300    HA   MET  37           HA       MET  37  -6.942  -7.319   2.720
  301   1HB   MET  37          HB2       MET  37  -6.716  -5.595   0.251
  302   2HB   MET  37          HB1       MET  37  -5.320  -6.128   1.184
  303   1HG   MET  37          HG2       MET  37  -6.474  -8.498   0.770
  304   2HG   MET  37          HG1       MET  37  -7.088  -7.640  -0.640
  305   1HE   MET  37          HE1       MET  37  -5.273  -6.074  -2.132
  306   2HE   MET  37          HE2       MET  37  -3.530  -6.318  -2.025
  307   3HE   MET  37          HE3       MET  37  -4.400  -5.575  -0.683
  308    H    ASP  38           HN       ASP  38  -6.444  -6.375   4.559
  309    HA   ASP  38           HA       ASP  38  -6.804  -3.502   4.846
  310   1HB   ASP  38          HB2       ASP  38  -7.412  -5.341   6.589
  311   2HB   ASP  38          HB1       ASP  38  -5.691  -5.332   6.961
  312    H    LEU  39           HN       LEU  39  -5.256  -2.328   4.031
  313    HA   LEU  39           HA       LEU  39  -2.521  -3.249   3.880
  314   1HB   LEU  39          HB2       LEU  39  -3.967  -0.777   2.960
  315   2HB   LEU  39          HB1       LEU  39  -2.214  -0.833   2.967
  316    HG   LEU  39           HG       LEU  39  -2.156  -2.528   1.332
  317   1HD1  LEU  39          HD11      LEU  39  -4.133  -3.611   0.413
  318   2HD1  LEU  39          HD12      LEU  39  -5.138  -2.773   1.595
  319   3HD1  LEU  39          HD13      LEU  39  -3.944  -3.955   2.133
  320   1HD2  LEU  39          HD21      LEU  39  -3.357  -1.489  -0.531
  321   2HD2  LEU  39          HD22      LEU  39  -2.564  -0.287   0.489
  322   3HD2  LEU  39          HD23      LEU  39  -4.304  -0.543   0.619
  323    H    VAL  40           HN       VAL  40  -1.376  -3.201   5.681
  324    HA   VAL  40           HA       VAL  40  -1.872  -1.011   7.586
  325    HB   VAL  40           HB       VAL  40  -1.045  -3.870   8.119
  326   1HG1  VAL  40          HG11      VAL  40  -1.123  -3.299  10.488
  327   2HG1  VAL  40          HG12      VAL  40  -1.450  -1.615  10.081
  328   3HG1  VAL  40          HG13      VAL  40   0.095  -2.343   9.646
  329   1HG2  VAL  40          HG21      VAL  40  -3.548  -2.351   8.834
  330   2HG2  VAL  40          HG22      VAL  40  -3.171  -4.003   9.329
  331   3HG2  VAL  40          HG23      VAL  40  -3.407  -3.624   7.622
  332    H    HIS  41           HN       HIS  41  -0.201   0.317   7.841
  333    HA   HIS  41           HA       HIS  41   1.859   1.012   8.426
  334   1HB   HIS  41          HB2       HIS  41   2.013  -1.041   9.774
  335   2HB   HIS  41          HB1       HIS  41   2.601  -1.916   8.371
  336    HD1  HIS  41           HD1      HIS  41   4.628  -2.485  10.013
  337    HD2  HIS  41           HD2      HIS  41   4.375   1.475   8.738
  338    HE1  HIS  41           HE1      HIS  41   6.853  -1.452  10.546
  339    HE2  HIS  41           HE2      HIS  41   6.566   0.995  10.041
  340    H    THR  42           HN       THR  42   2.087   2.121   6.532
  341    HA   THR  42           HA       THR  42   3.873   0.995   4.525
  342    HB   THR  42           HB       THR  42   2.195   2.528   3.654
  343    HG1  THR  42           HG1      THR  42   3.567   3.588   2.430
  344   1HG2  THR  42          HG21      THR  42   3.286   4.532   5.635
  345   2HG2  THR  42          HG22      THR  42   1.696   3.769   5.688
  346   3HG2  THR  42          HG23      THR  42   2.094   4.881   4.380
  347    H    TYR  43           HN       TYR  43   6.065   1.137   4.788
  348    HA   TYR  43           HA       TYR  43   7.058   3.394   6.349
  349   1HB   TYR  43          HB2       TYR  43   6.880   1.195   7.733
  350   2HB   TYR  43          HB1       TYR  43   8.312   0.714   6.819
  351    HD1  TYR  43           HD1      TYR  43   7.157   3.871   8.494
  352    HD2  TYR  43           HD2      TYR  43  10.253   1.005   7.957
  353    HE1  TYR  43           HE1      TYR  43   8.585   5.122  10.060
  354    HE2  TYR  43           HE2      TYR  43  11.690   2.238   9.508
  355    HH   TYR  43           HH       TYR  43  10.506   4.706  11.533
  356    H    VAL  44           HN       VAL  44   9.121   4.046   5.889
  357    HA   VAL  44           HA       VAL  44  10.645   2.766   3.800
  358    HB   VAL  44           HB       VAL  44   8.922   3.985   2.520
  359   1HG1  VAL  44          HG11      VAL  44   8.418   5.769   4.063
  360   2HG1  VAL  44          HG12      VAL  44   8.906   6.443   2.507
  361   3HG1  VAL  44          HG13      VAL  44  10.036   6.440   3.860
  362   1HG2  VAL  44          HG21      VAL  44  11.688   5.156   2.282
  363   2HG2  VAL  44          HG22      VAL  44  10.432   5.257   1.047
  364   3HG2  VAL  44          HG23      VAL  44  11.095   3.688   1.507
  365    HA   PRO  45           HA       PRO  45  13.853   4.896   6.123
  366   1HB   PRO  45          HB2       PRO  45  15.527   4.482   3.738
  367   2HB   PRO  45          HB1       PRO  45  15.752   3.881   5.384
  368   1HG   PRO  45          HG2       PRO  45  15.046   2.256   3.362
  369   2HG   PRO  45          HG1       PRO  45  14.469   2.005   5.019
  370   1HD   PRO  45          HD2       PRO  45  13.047   3.198   2.674
  371   2HD   PRO  45          HD1       PRO  45  12.432   2.106   3.932
  372    H    SER  46           HN       SER  46  15.282   6.753   5.844
  373    HA   SER  46           HA       SER  46  13.937   8.962   4.829
  374   1HB   SER  46          HB2       SER  46  15.699   9.020   6.591
  375   2HB   SER  46          HB1       SER  46  16.912   8.735   5.345
  376    HG   SER  46           HG       SER  46  16.551  10.720   4.505
  377    H    PHE  47           HN       PHE  47  16.145   6.807   3.275
  378    HA   PHE  47           HA       PHE  47  17.142   8.413   1.226
  379   1HB   PHE  47          HB2       PHE  47  16.568   5.452   1.080
  380   2HB   PHE  47          HB1       PHE  47  17.730   6.348   0.111
  381    HD1  PHE  47           HD1      PHE  47  17.106   4.663   3.236
  382    HD2  PHE  47           HD2      PHE  47  19.773   7.267   1.188
  383    HE1  PHE  47           HE1      PHE  47  18.848   4.178   4.903
  384    HE2  PHE  47           HE2      PHE  47  21.520   6.788   2.853
  385    HZ   PHE  47           HZ       PHE  47  21.058   5.242   4.713
  386    H    LYS  48           HN       LYS  48  13.998   6.915   1.556
  387    HA   LYS  48           HA       LYS  48  13.338   7.800  -1.164
  388   1HB   LYS  48          HB2       LYS  48  12.910   5.028  -0.054
  389   2HB   LYS  48          HB1       LYS  48  12.058   5.633  -1.470
  390   1HG   LYS  48          HG2       LYS  48  14.096   5.878  -2.683
  391   2HG   LYS  48          HG1       LYS  48  15.056   5.531  -1.245
  392   1HD   LYS  48          HD2       LYS  48  13.170   3.587  -2.588
  393   2HD   LYS  48          HD1       LYS  48  14.924   3.612  -2.795
  394   1HE   LYS  48          HE2       LYS  48  15.033   3.401  -0.247
  395   2HE   LYS  48          HE1       LYS  48  13.332   2.946  -0.340
  396   1HZ   LYS  48          HZ1       LYS  48  13.996   1.164  -1.909
  397   2HZ   LYS  48          HZ2       LYS  48  14.653   0.985  -0.358
  398   3HZ   LYS  48          HZ3       LYS  48  15.620   1.560  -1.621
  399    H    ARG  49           HN       ARG  49  12.638   8.706   1.634
  400    HA   ARG  49           HA       ARG  49   9.941   8.049   2.168
  401   1HB   ARG  49          HB2       ARG  49  11.504  10.533   2.899
  402   2HB   ARG  49          HB1       ARG  49   9.912  10.137   3.532
  403   1HG   ARG  49          HG2       ARG  49  10.807   8.135   4.575
  404   2HG   ARG  49          HG1       ARG  49  12.402   8.486   3.903
  405   1HD   ARG  49          HD2       ARG  49  12.437   9.239   6.147
  406   2HD   ARG  49          HD1       ARG  49  12.319  10.677   5.136
  407    HE   ARG  49           HE       ARG  49   9.758   9.729   5.994
  408   1HH1  ARG  49          HH11      ARG  49  12.539  11.633   6.922
  409   2HH1  ARG  49          HH12      ARG  49  11.670  12.562   8.106
  410   1HH2  ARG  49          HH21      ARG  49   8.619  10.902   7.583
  411   2HH2  ARG  49          HH22      ARG  49   9.447  12.123   8.503
  412    H    GLY  50           HN       GLY  50  11.213  11.129   0.894
  413   1HA   GLY  50          HA2       GLY  50   8.606  11.818  -0.148
  414   2HA   GLY  50          HA1       GLY  50  10.067  12.790  -0.252
  415    H    LEU  51           HN       LEU  51  10.351   9.534  -1.278
  416    HA   LEU  51           HA       LEU  51  10.696  10.425  -4.024
  417   1HB   LEU  51          HB2       LEU  51  12.316   8.869  -2.923
  418   2HB   LEU  51          HB1       LEU  51  11.041   7.665  -2.860
  419    HG   LEU  51           HG       LEU  51  10.931   7.654  -5.322
  420   1HD1  LEU  51          HD11      LEU  51  13.286   9.527  -5.148
  421   2HD1  LEU  51          HD12      LEU  51  11.679   9.920  -5.761
  422   3HD1  LEU  51          HD13      LEU  51  12.691   8.757  -6.618
  423   1HD2  LEU  51          HD21      LEU  51  13.076   6.522  -5.707
  424   2HD2  LEU  51          HD22      LEU  51  12.322   6.022  -4.193
  425   3HD2  LEU  51          HD23      LEU  51  13.672   7.155  -4.173
  426    H    GLY  52           HN       GLY  52   8.349   8.786  -2.070
  427   1HA   GLY  52          HA2       GLY  52   6.111   8.578  -3.069
  428   2HA   GLY  52          HA1       GLY  52   6.921   8.089  -4.551
  429    H    LEU  53           HN       LEU  53   8.823   6.511  -2.769
  430    HA   LEU  53           HA       LEU  53   7.847   4.038  -3.495
  431   1HB   LEU  53          HB2       LEU  53  10.199   4.749  -2.826
  432   2HB   LEU  53          HB1       LEU  53   9.691   4.499  -1.169
  433    HG   LEU  53           HG       LEU  53  10.993   2.619  -2.400
  434   1HD1  LEU  53          HD11      LEU  53   9.989   2.376  -0.186
  435   2HD1  LEU  53          HD12      LEU  53   9.820   0.904  -1.144
  436   3HD1  LEU  53          HD13      LEU  53   8.439   1.985  -0.934
  437   1HD2  LEU  53          HD21      LEU  53   9.566   1.038  -3.595
  438   2HD2  LEU  53          HD22      LEU  53   9.612   2.601  -4.409
  439   3HD2  LEU  53          HD23      LEU  53   8.205   2.150  -3.444
  440    H    ALA  54           HN       ALA  54   7.542   5.653  -0.348
  441    HA   ALA  54           HA       ALA  54   6.441   3.615   1.154
  442   1HB   ALA  54          HB1       ALA  54   7.092   5.791   2.066
  443   2HB   ALA  54          HB2       ALA  54   5.452   5.350   2.544
  444   3HB   ALA  54          HB3       ALA  54   5.710   6.536   1.266
  445    H    SER  55           HN       SER  55   4.662   6.025  -0.777
  446    HA   SER  55           HA       SER  55   2.145   4.770  -0.399
  447   1HB   SER  55          HB2       SER  55   1.507   6.249  -2.408
  448   2HB   SER  55          HB1       SER  55   2.023   7.049  -0.925
  449    HG   SER  55           HG       SER  55   3.365   8.016  -2.216
  450    H    HIS  56           HN       HIS  56   4.685   4.454  -2.841
  451    HA   HIS  56           HA       HIS  56   3.169   2.989  -4.713
  452   1HB   HIS  56          HB2       HIS  56   6.114   3.153  -4.176
  453   2HB   HIS  56          HB1       HIS  56   5.493   1.938  -5.284
  454    HD1  HIS  56           HD1      HIS  56   4.287   2.814  -7.464
  455    HD2  HIS  56           HD2      HIS  56   6.193   5.745  -5.202
  456    HE1  HIS  56           HE1      HIS  56   4.482   4.819  -8.969
  457    HE2  HIS  56           HE2      HIS  56   5.505   6.619  -7.537
  458    H    LEU  57           HN       LEU  57   4.763   2.060  -1.759
  459    HA   LEU  57           HA       LEU  57   4.417  -0.728  -1.979
  460   1HB   LEU  57          HB2       LEU  57   4.388   1.061   0.457
  461   2HB   LEU  57          HB1       LEU  57   4.501  -0.687   0.506
  462    HG   LEU  57           HG       LEU  57   6.558   1.080  -0.819
  463   1HD1  LEU  57          HD11      LEU  57   7.929   0.667   1.167
  464   2HD1  LEU  57          HD12      LEU  57   6.570  -0.157   1.931
  465   3HD1  LEU  57          HD13      LEU  57   6.463   1.564   1.562
  466   1HD2  LEU  57          HD21      LEU  57   6.571  -1.829  -0.024
  467   2HD2  LEU  57          HD22      LEU  57   7.948  -0.940  -0.679
  468   3HD2  LEU  57          HD23      LEU  57   6.509  -1.192  -1.667
  469    H    CYS  58           HN       CYS  58   2.378   1.794  -0.514
  470    HA   CYS  58           HA       CYS  58   0.189   0.156   0.123
  471   1HB   CYS  58          HB2       CYS  58   0.430   2.400   1.063
  472   2HB   CYS  58          HB1       CYS  58   0.223   3.135  -0.533
  473    HG   CYS  58           HG       CYS  58  -2.415   1.491  -0.421
  474    H    VAL  59           HN       VAL  59   0.980   1.928  -2.821
  475    HA   VAL  59           HA       VAL  59  -1.454   1.402  -4.174
  476    HB   VAL  59           HB       VAL  59   1.280   2.162  -5.212
  477   1HG1  VAL  59          HG11      VAL  59  -1.328   2.059  -6.728
  478   2HG1  VAL  59          HG12      VAL  59   0.056   0.996  -6.978
  479   3HG1  VAL  59          HG13      VAL  59   0.191   2.717  -7.334
  480   1HG2  VAL  59          HG21      VAL  59   0.169   3.843  -3.822
  481   2HG2  VAL  59          HG22      VAL  59  -1.252   3.767  -4.865
  482   3HG2  VAL  59          HG23      VAL  59   0.279   4.367  -5.501
  483    H    ALA  60           HN       ALA  60   1.585  -0.358  -3.916
  484    HA   ALA  60           HA       ALA  60   1.133  -2.215  -5.978
  485   1HB   ALA  60          HB1       ALA  60   2.672  -2.612  -3.411
  486   2HB   ALA  60          HB2       ALA  60   3.313  -1.935  -4.907
  487   3HB   ALA  60          HB3       ALA  60   2.790  -3.618  -4.855
  488    H    ALA  61           HN       ALA  61  -0.036  -2.102  -2.647
  489    HA   ALA  61           HA       ALA  61  -1.191  -4.712  -2.770
  490   1HB   ALA  61          HB1       ALA  61  -2.375  -4.068  -0.742
  491   2HB   ALA  61          HB2       ALA  61  -1.858  -2.396  -0.961
  492   3HB   ALA  61          HB3       ALA  61  -0.665  -3.655  -0.636
  493    H    PHE  62           HN       PHE  62  -2.229  -1.447  -3.556
  494    HA   PHE  62           HA       PHE  62  -4.928  -1.962  -4.110
  495   1HB   PHE  62          HB2       PHE  62  -2.989   0.011  -5.311
  496   2HB   PHE  62          HB1       PHE  62  -4.664  -0.092  -5.837
  497    HD1  PHE  62           HD1      PHE  62  -6.043  -0.512  -3.252
  498    HD2  PHE  62           HD2      PHE  62  -2.824   2.070  -4.303
  499    HE1  PHE  62           HE1      PHE  62  -6.667   0.990  -1.383
  500    HE2  PHE  62           HE2      PHE  62  -3.443   3.586  -2.457
  501    HZ   PHE  62           HZ       PHE  62  -5.485   3.133  -1.119
  502    H    GLU  63           HN       GLU  63  -2.088  -2.080  -6.238
  503    HA   GLU  63           HA       GLU  63  -3.310  -2.875  -8.601
  504   1HB   GLU  63          HB2       GLU  63  -0.630  -3.897  -7.639
  505   2HB   GLU  63          HB1       GLU  63  -1.163  -3.717  -9.302
  506   1HG   GLU  63          HG2       GLU  63  -1.269  -1.241  -8.881
  507   2HG   GLU  63          HG1       GLU  63  -0.467  -1.550  -7.344
  508    H    HIS  64           HN       HIS  64  -2.338  -4.753  -5.819
  509    HA   HIS  64           HA       HIS  64  -2.612  -7.313  -7.007
  510   1HB   HIS  64          HB2       HIS  64  -1.250  -6.846  -4.993
  511   2HB   HIS  64          HB1       HIS  64  -2.720  -6.532  -4.085
  512    HD1  HIS  64           HD1      HIS  64  -3.425  -8.472  -2.722
  513    HD2  HIS  64           HD2      HIS  64  -1.358  -9.649  -6.129
  514    HE1  HIS  64           HE1      HIS  64  -3.252 -10.970  -2.574
  515    HE2  HIS  64           HE2      HIS  64  -2.238 -11.668  -4.771
  516    H    ALA  65           HN       ALA  65  -4.702  -5.481  -4.777
  517    HA   ALA  65           HA       ALA  65  -6.736  -7.463  -4.756
  518   1HB   ALA  65          HB1       ALA  65  -6.917  -4.567  -3.963
  519   2HB   ALA  65          HB2       ALA  65  -6.422  -5.896  -2.916
  520   3HB   ALA  65          HB3       ALA  65  -8.068  -5.838  -3.548
  521    H    SER  66           HN       SER  66  -6.509  -4.270  -6.358
  522    HA   SER  66           HA       SER  66  -8.986  -4.249  -7.567
  523   1HB   SER  66          HB2       SER  66  -7.331  -2.381  -7.607
  524   2HB   SER  66          HB1       SER  66  -6.432  -3.248  -8.851
  525    HG   SER  66           HG       SER  66  -9.177  -2.735  -9.219
  526    H    SER  67           HN       SER  67  -6.035  -5.808  -8.831
  527    HA   SER  67           HA       SER  67  -7.165  -6.512 -11.326
  528   1HB   SER  67          HB2       SER  67  -4.853  -7.835  -9.889
  529   2HB   SER  67          HB1       SER  67  -5.206  -7.925 -11.616
  530    HG   SER  67           HG       SER  67  -4.080  -5.866 -10.119
  531    H    HIS  68           HN       HIS  68  -7.165  -8.073  -8.199
  532    HA   HIS  68           HA       HIS  68  -8.233 -10.560  -9.317
  533   1HB   HIS  68          HB2       HIS  68  -6.429 -10.458  -7.517
  534   2HB   HIS  68          HB1       HIS  68  -7.688  -9.919  -6.417
  535    HD1  HIS  68           HD1      HIS  68  -9.495 -11.695  -5.738
  536    HD2  HIS  68           HD2      HIS  68  -6.392 -13.171  -8.071
  537    HE1  HIS  68           HE1      HIS  68  -9.591 -14.190  -5.480
  538    HE2  HIS  68           HE2      HIS  68  -7.586 -15.044  -6.741
  539    H    SER  69           HN       SER  69  -9.493  -7.681  -8.592
  540    HA   SER  69           HA       SER  69 -11.494  -6.837  -7.967
  541   1HB   SER  69          HB2       SER  69 -12.406  -9.676  -8.486
  542   2HB   SER  69          HB1       SER  69 -13.503  -8.336  -8.152
  543    HG   SER  69           HG       SER  69 -11.949  -8.864 -10.421
  544    H    ILE  70           HN       ILE  70 -10.019  -6.958  -5.923
  545    HA   ILE  70           HA       ILE  70 -11.614  -8.154  -3.748
  546    HB   ILE  70           HB       ILE  70  -8.632  -7.598  -3.765
  547   1HG1  ILE  70          HG12      ILE  70 -10.119 -10.231  -3.779
  548   2HG1  ILE  70          HG11      ILE  70  -9.229  -9.545  -5.133
  549   1HG2  ILE  70          HG21      ILE  70  -9.597  -7.281  -1.552
  550   2HG2  ILE  70          HG22      ILE  70  -8.587  -8.727  -1.597
  551   3HG2  ILE  70          HG23      ILE  70 -10.344  -8.876  -1.637
  552   1HD1  ILE  70          HD11      ILE  70  -7.156  -9.713  -3.851
  553   2HD1  ILE  70          HD12      ILE  70  -7.947 -11.280  -4.030
  554   3HD1  ILE  70          HD13      ILE  70  -8.053 -10.408  -2.501
  555    H    SER  71           HN       SER  71 -11.945  -6.826  -1.883
  556    HA   SER  71           HA       SER  71 -11.609  -3.974  -2.399
  557   1HB   SER  71          HB2       SER  71 -13.021  -3.796  -0.254
  558   2HB   SER  71          HB1       SER  71 -13.807  -4.453  -1.689
  559    HG   SER  71           HG       SER  71 -12.617  -6.419  -0.267
  560    H    ILE  72           HN       ILE  72 -10.976  -2.602  -0.455
  561    HA   ILE  72           HA       ILE  72  -8.785  -3.856   1.051
  562    HB   ILE  72           HB       ILE  72  -8.506  -1.547  -0.889
  563   1HG1  ILE  72          HG12      ILE  72  -7.226  -4.265  -0.684
  564   2HG1  ILE  72          HG11      ILE  72  -8.191  -3.617  -2.008
  565   1HG2  ILE  72          HG21      ILE  72  -6.524  -2.426   1.197
  566   2HG2  ILE  72          HG22      ILE  72  -7.350  -0.869   1.100
  567   3HG2  ILE  72          HG23      ILE  72  -6.172  -1.324  -0.134
  568   1HD1  ILE  72          HD11      ILE  72  -5.448  -2.671  -1.208
  569   2HD1  ILE  72          HD12      ILE  72  -6.421  -2.027  -2.530
  570   3HD1  ILE  72          HD13      ILE  72  -5.841  -3.691  -2.593
  571    H    ILE  73           HN       ILE  73  -8.184  -2.769   2.901
  572    HA   ILE  73           HA       ILE  73  -9.440  -0.171   3.524
  573    HB   ILE  73           HB       ILE  73  -9.202  -2.577   5.358
  574   1HG1  ILE  73          HG12      ILE  73 -11.232  -2.449   3.966
  575   2HG1  ILE  73          HG11      ILE  73 -11.598  -2.284   5.682
  576   1HG2  ILE  73          HG21      ILE  73  -9.969  -1.116   7.186
  577   2HG2  ILE  73          HG22      ILE  73  -9.802   0.279   6.120
  578   3HG2  ILE  73          HG23      ILE  73  -8.376  -0.659   6.575
  579   1HD1  ILE  73          HD11      ILE  73 -11.812   0.124   5.411
  580   2HD1  ILE  73          HD12      ILE  73 -12.902  -0.739   4.325
  581   3HD1  ILE  73          HD13      ILE  73 -11.414  -0.027   3.701
  582    HA   PRO  74           HA       PRO  74  -5.010   0.228   4.163
  583   1HB   PRO  74          HB2       PRO  74  -5.118   2.979   3.561
  584   2HB   PRO  74          HB1       PRO  74  -4.696   1.666   2.462
  585   1HG   PRO  74          HG2       PRO  74  -6.973   3.295   2.295
  586   2HG   PRO  74          HG1       PRO  74  -6.702   1.780   1.422
  587   1HD   PRO  74          HD2       PRO  74  -8.288   2.282   3.896
  588   2HD   PRO  74          HD1       PRO  74  -8.572   1.117   2.583
  589    H    SER  75           HN       SER  75  -4.762   0.036   6.357
  590    HA   SER  75           HA       SER  75  -5.352   2.163   8.189
  591   1HB   SER  75          HB2       SER  75  -3.403  -0.155   8.420
  592   2HB   SER  75          HB1       SER  75  -3.929   0.878   9.750
  593    HG   SER  75           HG       SER  75  -5.304  -1.159   8.405
  594    H    CYS  76           HN       CYS  76  -2.985   1.467   5.883
  595    HA   CYS  76           HA       CYS  76  -0.953   3.303   6.565
  596   1HB   CYS  76          HB2       CYS  76  -1.740   2.476   3.765
  597   2HB   CYS  76          HB1       CYS  76  -0.186   3.080   4.317
  598    HG   CYS  76           HG       CYS  76  -0.775   0.086   3.855
  599    H    SER  77           HN       SER  77  -3.848   4.200   6.640
  600    HA   SER  77           HA       SER  77  -4.676   5.743   4.556
  601   1HB   SER  77          HB2       SER  77  -5.954   7.007   6.415
  602   2HB   SER  77          HB1       SER  77  -6.245   5.279   6.204
  603    HG   SER  77           HG       SER  77  -5.353   6.564   8.368
  604    H    TYR  78           HN       TYR  78  -1.948   6.588   6.502
  605    HA   TYR  78           HA       TYR  78  -1.917   9.357   6.054
  606   1HB   TYR  78          HB2       TYR  78   0.099   9.035   7.017
  607   2HB   TYR  78          HB1       TYR  78   0.040   7.312   6.668
  608    HD1  TYR  78           HD1      TYR  78   1.120  10.600   5.338
  609    HD2  TYR  78           HD2      TYR  78   1.321   6.375   4.901
  610    HE1  TYR  78           HE1      TYR  78   2.929  10.858   3.694
  611    HE2  TYR  78           HE2      TYR  78   3.133   6.617   3.255
  612    HH   TYR  78           HH       TYR  78   4.866   9.424   2.848
  613    H    VAL  79           HN       VAL  79  -0.974   6.646   3.976
  614    HA   VAL  79           HA       VAL  79  -0.519   8.053   1.588
  615    HB   VAL  79           HB       VAL  79  -1.593   5.247   1.991
  616   1HG1  VAL  79          HG11      VAL  79  -0.865   4.797  -0.295
  617   2HG1  VAL  79          HG12      VAL  79  -0.395   6.487  -0.485
  618   3HG1  VAL  79          HG13      VAL  79  -2.092   6.065  -0.255
  619   1HG2  VAL  79          HG21      VAL  79   1.218   6.206   1.483
  620   2HG2  VAL  79          HG22      VAL  79   0.702   4.521   1.589
  621   3HG2  VAL  79          HG23      VAL  79   0.593   5.568   3.004
  622    H    SER  80           HN       SER  80  -3.394   6.457   2.870
  623    HA   SER  80           HA       SER  80  -5.075   6.815   0.676
  624   1HB   SER  80          HB2       SER  80  -5.993   6.830   3.551
  625   2HB   SER  80          HB1       SER  80  -6.851   6.212   2.137
  626    HG   SER  80           HG       SER  80  -5.927   4.498   3.256
  627    H    ASP  81           HN       ASP  81  -4.431   8.904   3.398
  628    HA   ASP  81           HA       ASP  81  -6.610  10.662   2.982
  629   1HB   ASP  81          HB2       ASP  81  -5.726  10.569   5.169
  630   2HB   ASP  81          HB1       ASP  81  -4.075  10.812   4.614
  631    H    THR  82           HN       THR  82  -3.114  10.975   2.200
  632    HA   THR  82           HA       THR  82  -3.712  13.415   0.730
  633    HB   THR  82           HB       THR  82  -1.716  13.557   2.014
  634    HG1  THR  82           HG1      THR  82  -1.470  14.632   0.088
  635   1HG2  THR  82          HG21      THR  82  -0.774  11.096   0.546
  636   2HG2  THR  82          HG22      THR  82  -1.158  11.222   2.263
  637   3HG2  THR  82          HG23      THR  82   0.233  12.085   1.604
  638    H    PHE  83           HN       PHE  83  -2.375  10.197  -0.032
  639    HA   PHE  83           HA       PHE  83  -1.844  10.899  -2.743
  640   1HB   PHE  83          HB2       PHE  83  -1.865   8.195  -1.388
  641   2HB   PHE  83          HB1       PHE  83  -1.235   8.530  -2.994
  642    HD1  PHE  83           HD1      PHE  83  -0.063   7.708  -0.036
  643    HD2  PHE  83           HD2      PHE  83   0.220  11.035  -2.685
  644    HE1  PHE  83           HE1      PHE  83   2.122   8.280   0.934
  645    HE2  PHE  83           HE2      PHE  83   2.421  11.597  -1.725
  646    HZ   PHE  83           HZ       PHE  83   3.338  10.342   0.086
  647    H    LEU  84           HN       LEU  84  -4.488   9.203  -1.174
  648    HA   LEU  84           HA       LEU  84  -5.493   8.104  -3.583
  649   1HB   LEU  84          HB2       LEU  84  -6.536   8.374  -0.825
  650   2HB   LEU  84          HB1       LEU  84  -7.655   7.957  -2.112
  651    HG   LEU  84           HG       LEU  84  -5.116   6.447  -1.483
  652   1HD1  LEU  84          HD11      LEU  84  -7.974   5.759  -0.858
  653   2HD1  LEU  84          HD12      LEU  84  -6.729   6.202   0.309
  654   3HD1  LEU  84          HD13      LEU  84  -6.581   4.706  -0.613
  655   1HD2  LEU  84          HD21      LEU  84  -5.770   6.293  -3.815
  656   2HD2  LEU  84          HD22      LEU  84  -7.404   5.827  -3.341
  657   3HD2  LEU  84          HD23      LEU  84  -6.046   4.759  -2.989
  658    HA   PRO  85           HA       PRO  85  -8.362  12.087  -3.681
  659   1HB   PRO  85          HB2       PRO  85  -6.292  13.910  -2.578
  660   2HB   PRO  85          HB1       PRO  85  -8.051  13.992  -2.439
  661   1HG   PRO  85          HG2       PRO  85  -6.544  13.225  -0.383
  662   2HG   PRO  85          HG1       PRO  85  -8.115  12.468  -0.705
  663   1HD   PRO  85          HD2       PRO  85  -5.359  11.416  -1.218
  664   2HD   PRO  85          HD1       PRO  85  -6.829  10.554  -0.711
  665    H    ARG  86           HN       ARG  86  -4.844  11.990  -3.796
  666    HA   ARG  86           HA       ARG  86  -4.470  13.615  -6.075
  667   1HB   ARG  86          HB2       ARG  86  -2.560  13.199  -4.780
  668   2HB   ARG  86          HB1       ARG  86  -2.836  11.463  -4.752
  669   1HG   ARG  86          HG2       ARG  86  -2.267  11.363  -7.146
  670   2HG   ARG  86          HG1       ARG  86  -1.932  13.096  -7.119
  671   1HD   ARG  86          HD2       ARG  86  -0.058  12.839  -5.762
  672   2HD   ARG  86          HD1       ARG  86  -0.566  11.246  -5.201
  673    HE   ARG  86           HE       ARG  86  -0.147  11.082  -7.956
  674   1HH1  ARG  86          HH11      ARG  86   1.737  11.725  -5.071
  675   2HH1  ARG  86          HH12      ARG  86   3.176  10.986  -5.690
  676   1HH2  ARG  86          HH21      ARG  86   1.744  10.085  -8.773
  677   2HH2  ARG  86          HH22      ARG  86   3.187  10.042  -7.796
  678    H    ASN  87           HN       ASN  87  -4.904  10.098  -5.744
  679    HA   ASN  87           HA       ASN  87  -5.902  10.083  -8.475
  680   1HB   ASN  87          HB2       ASN  87  -4.660   8.105  -9.162
  681   2HB   ASN  87          HB1       ASN  87  -3.564   9.411  -8.754
  682   1HD2  ASN  87          HD21      ASN  87  -3.603   9.041  -5.915
  683   2HD2  ASN  87          HD22      ASN  87  -2.794   7.555  -5.586
  684    HA   PRO  88           HA       PRO  88  -8.728   7.834  -5.714
  685   1HB   PRO  88          HB2       PRO  88 -10.816   8.946  -7.406
  686   2HB   PRO  88          HB1       PRO  88 -10.508   9.240  -5.693
  687   1HG   PRO  88          HG2       PRO  88 -10.141  11.132  -7.605
  688   2HG   PRO  88          HG1       PRO  88  -9.185  11.067  -6.114
  689   1HD   PRO  88          HD2       PRO  88  -8.470  10.115  -8.865
  690   2HD   PRO  88          HD1       PRO  88  -7.477  10.999  -7.686
  691    H    SER  89           HN       SER  89  -7.376   6.431  -7.657
  692    HA   SER  89           HA       SER  89  -9.341   5.399  -9.560
  693   1HB   SER  89          HB2       SER  89  -6.966   5.964 -10.225
  694   2HB   SER  89          HB1       SER  89  -6.439   4.605  -9.237
  695    HG   SER  89           HG       SER  89  -8.250   4.452 -11.427
  696    H    TRP  90           HN       TRP  90  -8.271   4.812  -6.479
  697    HA   TRP  90           HA       TRP  90  -8.661   1.903  -6.619
  698   1HB   TRP  90          HB2       TRP  90  -7.425   3.414  -4.326
  699   2HB   TRP  90          HB1       TRP  90  -7.220   1.717  -4.762
  700    HD1  TRP  90           HD1      TRP  90  -5.551   4.980  -5.090
  701    HE1  TRP  90           HE1      TRP  90  -3.646   4.884  -6.810
  702    HE3  TRP  90           HE3      TRP  90  -6.676   0.499  -7.283
  703    HZ2  TRP  90           HZ2      TRP  90  -2.736   3.130  -8.836
  704    HZ3  TRP  90           HZ3      TRP  90  -5.241  -0.313  -9.110
  705    HH2  TRP  90           HH2      TRP  90  -3.313   0.977  -9.870
  706    H    LYS  91           HN       LYS  91 -10.573   4.300  -6.296
  707    HA   LYS  91           HA       LYS  91 -11.844   4.074  -3.801
  708   1HB   LYS  91          HB2       LYS  91 -12.168   5.911  -5.498
  709   2HB   LYS  91          HB1       LYS  91 -13.176   4.795  -6.410
  710   1HG   LYS  91          HG2       LYS  91 -14.614   4.577  -4.367
  711   2HG   LYS  91          HG1       LYS  91 -13.685   5.902  -3.663
  712   1HD   LYS  91          HD2       LYS  91 -14.300   7.274  -5.668
  713   2HD   LYS  91          HD1       LYS  91 -15.383   5.966  -6.152
  714   1HE   LYS  91          HE2       LYS  91 -15.531   7.670  -3.674
  715   2HE   LYS  91          HE1       LYS  91 -16.694   7.584  -4.997
  716   1HZ   LYS  91          HZ1       LYS  91 -17.070   5.225  -4.357
  717   2HZ   LYS  91          HZ2       LYS  91 -17.554   6.346  -3.185
  718   3HZ   LYS  91          HZ3       LYS  91 -16.109   5.487  -2.986
  719    HA   PRO  92           HA       PRO  92 -14.637   0.683  -6.081
  720   1HB   PRO  92          HB2       PRO  92 -12.459  -0.529  -7.691
  721   2HB   PRO  92          HB1       PRO  92 -14.175  -0.341  -8.073
  722   1HG   PRO  92          HG2       PRO  92 -12.364   1.211  -9.232
  723   2HG   PRO  92          HG1       PRO  92 -13.924   1.875  -8.711
  724   1HD   PRO  92          HD2       PRO  92 -11.238   2.097  -7.409
  725   2HD   PRO  92          HD1       PRO  92 -12.505   3.327  -7.597
  726    H    LEU  93           HN       LEU  93 -11.642   0.756  -4.581
  727    HA   LEU  93           HA       LEU  93 -11.821  -2.070  -3.774
  728   1HB   LEU  93          HB2       LEU  93  -9.473  -0.220  -3.393
  729   2HB   LEU  93          HB1       LEU  93  -9.498  -1.965  -3.218
  730    HG   LEU  93           HG       LEU  93  -9.881  -0.492  -5.816
  731   1HD1  LEU  93          HD11      LEU  93  -7.482  -1.975  -4.744
  732   2HD1  LEU  93          HD12      LEU  93  -7.610  -0.230  -4.964
  733   3HD1  LEU  93          HD13      LEU  93  -7.635  -1.299  -6.367
  734   1HD2  LEU  93          HD21      LEU  93  -9.649  -2.691  -6.833
  735   2HD2  LEU  93          HD22      LEU  93 -11.019  -2.654  -5.723
  736   3HD2  LEU  93          HD23      LEU  93  -9.509  -3.427  -5.235
  737    H    ILE  94           HN       ILE  94 -11.261   1.206  -2.537
  738    HA   ILE  94           HA       ILE  94 -11.750   0.164   0.175
  739    HB   ILE  94           HB       ILE  94 -10.199   1.686   1.078
  740   1HG1  ILE  94          HG12      ILE  94  -9.518   3.020  -1.495
  741   2HG1  ILE  94          HG11      ILE  94 -11.022   3.496  -0.710
  742   1HG2  ILE  94          HG21      ILE  94  -8.119   1.232  -0.112
  743   2HG2  ILE  94          HG22      ILE  94  -9.035   0.737  -1.534
  744   3HG2  ILE  94          HG23      ILE  94  -9.143  -0.202  -0.045
  745   1HD1  ILE  94          HD11      ILE  94  -8.322   3.510   0.601
  746   2HD1  ILE  94          HD12      ILE  94  -9.840   4.079   1.298
  747   3HD1  ILE  94          HD13      ILE  94  -9.132   4.918  -0.084
  748    H    HIS  95           HN       HIS  95 -11.929   2.495   1.535
  749    HA   HIS  95           HA       HIS  95 -14.458   3.544   1.241
  750   1HB   HIS  95          HB2       HIS  95 -11.940   4.836   2.325
  751   2HB   HIS  95          HB1       HIS  95 -13.550   5.526   2.522
  752    HD1  HIS  95           HD1      HIS  95 -11.884   4.836   4.989
  753    HD2  HIS  95           HD2      HIS  95 -14.579   2.194   3.229
  754    HE1  HIS  95           HE1      HIS  95 -12.493   3.195   6.783
  755    HE2  HIS  95           HE2      HIS  95 -14.014   1.524   5.673
  756    H    SER  96           HN       SER  96 -11.512   5.338   0.435
  757    HA   SER  96           HA       SER  96 -11.741   5.875  -2.207
  758   1HB   SER  96          HB2       SER  96 -13.999   6.849  -1.746
  759   2HB   SER  96          HB1       SER  96 -13.246   8.027  -0.672
  760    HG   SER  96           HG       SER  96 -12.039   8.774  -2.517
  761    H    GLU  97           HN       GLU  97 -11.374   7.304   0.917
  762    HA   GLU  97           HA       GLU  97  -8.654   8.135   0.348
  763   1HB   GLU  97          HB2       GLU  97 -10.169  10.081  -0.012
  764   2HB   GLU  97          HB1       GLU  97 -10.789   9.885   1.621
  765   1HG   GLU  97          HG2       GLU  97  -8.365  10.253   2.365
  766   2HG   GLU  97          HG1       GLU  97  -8.102  10.844   0.723
  767    H    VAL  98           HN       VAL  98  -8.761   9.398   3.131
  768    HA   VAL  98           HA       VAL  98  -8.188   7.050   4.596
  769    HB   VAL  98           HB       VAL  98  -7.033   8.986   5.282
  770   1HG1  VAL  98          HG11      VAL  98  -8.128  11.022   6.102
  771   2HG1  VAL  98          HG12      VAL  98  -9.697  10.334   5.685
  772   3HG1  VAL  98          HG13      VAL  98  -8.522  10.686   4.417
  773   1HG2  VAL  98          HG21      VAL  98  -7.656   7.530   7.132
  774   2HG2  VAL  98          HG22      VAL  98  -9.151   8.437   7.359
  775   3HG2  VAL  98          HG23      VAL  98  -7.595   9.214   7.656
  776    H    PHE  99           HN       PHE  99 -11.056   9.172   4.523
  777    HA   PHE  99           HA       PHE  99 -12.563   7.069   5.868
  778   1HB   PHE  99          HB2       PHE  99 -13.376   8.445   7.646
  779   2HB   PHE  99          HB1       PHE  99 -11.623   8.591   7.647
  780    HD1  PHE  99           HD1      PHE  99 -10.564  10.653   6.720
  781    HD2  PHE  99           HD2      PHE  99 -14.764  10.331   7.314
  782    HE1  PHE  99           HE1      PHE  99 -10.761  13.101   6.634
  783    HE2  PHE  99           HE2      PHE  99 -14.968  12.780   7.221
  784    HZ   PHE  99           HZ       PHE  99 -12.987  14.161   6.782
  785    H    LYS 100           HN       LYS 100 -12.512  10.071   4.063
  786    HA   LYS 100           HA       LYS 100 -15.330  10.482   4.192
  787   1HB   LYS 100          HB2       LYS 100 -14.945  12.370   2.707
  788   2HB   LYS 100          HB1       LYS 100 -13.759  12.356   4.000
  789   1HG   LYS 100          HG2       LYS 100 -12.444  12.875   2.206
  790   2HG   LYS 100          HG1       LYS 100 -12.281  11.119   2.226
  791   1HD   LYS 100          HD2       LYS 100 -13.984  10.919   0.500
  792   2HD   LYS 100          HD1       LYS 100 -14.233  12.665   0.515
  793   1HE   LYS 100          HE2       LYS 100 -11.683  11.254  -0.250
  794   2HE   LYS 100          HE1       LYS 100 -12.854  11.943  -1.374
  795   1HZ   LYS 100          HZ1       LYS 100 -12.399  14.089   0.015
  796   2HZ   LYS 100          HZ2       LYS 100 -11.340  13.619  -1.221
  797   3HZ   LYS 100          HZ3       LYS 100 -10.941  13.297   0.398
  798    H    SER 101           HN       SER 101 -16.581  10.878   2.117
  799    HA   SER 101           HA       SER 101 -17.432  10.258   0.112
  800   1HB   SER 101          HB2       SER 101 -15.190  10.255  -0.827
  801   2HB   SER 101          HB1       SER 101 -14.895   8.635  -0.195
  802    HG   SER 101           HG       SER 101 -15.870   9.255  -2.534
  803    H    SER 102           HN       SER 102 -16.115   7.680   2.129
  804    HA   SER 102           HA       SER 102 -18.564   6.155   1.559
  805   1HB   SER 102          HB2       SER 102 -15.790   5.158   2.198
  806   2HB   SER 102          HB1       SER 102 -17.221   4.131   2.293
  807    HG   SER 102           HG       SER 102 -15.864   5.075   0.083
  808    H    ILE 103           HN       ILE 103 -19.193   4.693   3.408
  809    HA   ILE 103           HA       ILE 103 -19.955   4.442   5.529
  810    HB   ILE 103           HB       ILE 103 -17.632   6.187   6.380
  811   1HG1  ILE 103          HG12      ILE 103 -17.855   3.168   6.252
  812   2HG1  ILE 103          HG11      ILE 103 -16.902   4.167   5.161
  813   1HG2  ILE 103          HG21      ILE 103 -19.384   6.044   8.071
  814   2HG2  ILE 103          HG22      ILE 103 -17.951   5.148   8.579
  815   3HG2  ILE 103          HG23      ILE 103 -19.359   4.283   7.965
  816   1HD1  ILE 103          HD11      ILE 103 -15.496   4.868   7.022
  817   2HD1  ILE 103          HD12      ILE 103 -15.516   3.113   6.857
  818   3HD1  ILE 103          HD13      ILE 103 -16.462   3.889   8.126
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1   3.083  -4.792 -15.670
    2   2H    MET   1           HT2      MET   1   4.098  -4.876 -17.028
    3   3H    MET   1           HT3      MET   1   2.787  -5.941 -16.886
    4    HA   MET   1           HA       MET   1   2.240  -4.254 -18.460
    5   1HB   MET   1          HB2       MET   1   0.829  -3.744 -15.830
    6   2HB   MET   1          HB1       MET   1   0.213  -3.334 -17.424
    7   1HG   MET   1          HG2       MET   1   0.142  -5.708 -18.001
    8   2HG   MET   1          HG1       MET   1   0.740  -6.111 -16.392
    9   1HE   MET   1          HE1       MET   1  -1.236  -7.722 -15.886
   10   2HE   MET   1          HE2       MET   1  -1.856  -7.449 -17.515
   11   3HE   MET   1          HE3       MET   1  -2.937  -7.317 -16.126
   12    H    ALA   2           HN       ALA   2   2.492  -2.625 -15.291
   13    HA   ALA   2           HA       ALA   2   3.475  -0.233 -16.716
   14   1HB   ALA   2          HB1       ALA   2   1.779  -0.354 -14.221
   15   2HB   ALA   2          HB2       ALA   2   1.213   0.078 -15.833
   16   3HB   ALA   2          HB3       ALA   2   2.369   1.116 -14.996
   17    H    THR   3           HN       THR   3   5.017  -2.433 -15.587
   18    HA   THR   3           HA       THR   3   6.044  -2.271 -13.091
   19    HB   THR   3           HB       THR   3   7.834  -2.605 -15.490
   20    HG1  THR   3           HG1      THR   3   6.800  -4.396 -15.977
   21   1HG2  THR   3          HG21      THR   3   8.950  -4.247 -14.065
   22   2HG2  THR   3          HG22      THR   3   7.783  -3.939 -12.778
   23   3HG2  THR   3          HG23      THR   3   8.900  -2.669 -13.279
   24    H    GLU   4           HN       GLU   4   6.741  -0.662 -11.935
   25    HA   GLU   4           HA       GLU   4   7.861   1.713 -13.138
   26   1HB   GLU   4          HB2       GLU   4   7.300   1.029 -10.245
   27   2HB   GLU   4          HB1       GLU   4   7.778   2.611 -10.842
   28   1HG   GLU   4          HG2       GLU   4   5.689   2.601 -12.235
   29   2HG   GLU   4          HG1       GLU   4   5.208   1.145 -11.363
   30    HA   PRO   5           HA       PRO   5  12.217   1.260 -12.251
   31   1HB   PRO   5          HB2       PRO   5  11.896   3.420 -10.213
   32   2HB   PRO   5          HB1       PRO   5  13.102   3.248 -11.493
   33   1HG   PRO   5          HG2       PRO   5  11.077   4.931 -11.794
   34   2HG   PRO   5          HG1       PRO   5  11.629   3.935 -13.155
   35   1HD   PRO   5          HD2       PRO   5   9.207   3.626 -11.440
   36   2HD   PRO   5          HD1       PRO   5   9.419   3.284 -13.169
   37    HA   PRO   6           HA       PRO   6  12.282   0.423  -7.482
   38   1HB   PRO   6          HB2       PRO   6   9.897   0.203  -6.185
   39   2HB   PRO   6          HB1       PRO   6  10.814   1.711  -6.274
   40   1HG   PRO   6          HG2       PRO   6   8.456   0.825  -7.879
   41   2HG   PRO   6          HG1       PRO   6   8.816   2.423  -7.203
   42   1HD   PRO   6          HD2       PRO   6   9.212   1.800  -9.814
   43   2HD   PRO   6          HD1       PRO   6  10.213   2.983  -8.937
   44    H    LYS   7           HN       LYS   7  12.234  -1.641  -6.516
   45    HA   LYS   7           HA       LYS   7  10.732  -3.645  -8.059
   46   1HB   LYS   7          HB2       LYS   7  13.424  -3.960  -6.714
   47   2HB   LYS   7          HB1       LYS   7  12.542  -5.241  -7.518
   48   1HG   LYS   7          HG2       LYS   7  13.383  -2.757  -8.968
   49   2HG   LYS   7          HG1       LYS   7  14.461  -4.137  -8.774
   50   1HD   LYS   7          HD2       LYS   7  13.431  -4.428 -10.874
   51   2HD   LYS   7          HD1       LYS   7  12.613  -5.548  -9.783
   52   1HE   LYS   7          HE2       LYS   7  10.787  -3.929  -9.516
   53   2HE   LYS   7          HE1       LYS   7  11.607  -2.835 -10.630
   54   1HZ   LYS   7          HZ1       LYS   7  11.414  -4.518 -12.357
   55   2HZ   LYS   7          HZ2       LYS   7   9.893  -4.087 -11.752
   56   3HZ   LYS   7          HZ3       LYS   7  10.599  -5.552 -11.289
   57    H    ILE   8           HN       ILE   8   8.987  -3.586  -6.678
   58    HA   ILE   8           HA       ILE   8   9.487  -3.866  -3.837
   59    HB   ILE   8           HB       ILE   8   6.799  -3.670  -5.192
   60   1HG1  ILE   8          HG12      ILE   8   8.215  -1.750  -5.843
   61   2HG1  ILE   8          HG11      ILE   8   6.890  -1.255  -4.793
   62   1HG2  ILE   8          HG21      ILE   8   6.699  -4.435  -2.908
   63   2HG2  ILE   8          HG22      ILE   8   6.118  -2.771  -2.988
   64   3HG2  ILE   8          HG23      ILE   8   7.741  -3.112  -2.385
   65   1HD1  ILE   8          HD11      ILE   8   8.415  -1.118  -2.916
   66   2HD1  ILE   8          HD12      ILE   8   8.998  -0.133  -4.259
   67   3HD1  ILE   8          HD13      ILE   8   9.737  -1.700  -3.926
   68    H    VAL   9           HN       VAL   9   9.630  -5.817  -2.956
   69    HA   VAL   9           HA       VAL   9   8.849  -8.123  -4.561
   70    HB   VAL   9           HB       VAL   9  10.392  -7.997  -1.963
   71   1HG1  VAL   9          HG11      VAL   9  11.080 -10.290  -2.518
   72   2HG1  VAL   9          HG12      VAL   9   9.996 -10.267  -3.909
   73   3HG1  VAL   9          HG13      VAL   9   9.337 -10.162  -2.277
   74   1HG2  VAL   9          HG21      VAL   9  11.343  -8.255  -4.807
   75   2HG2  VAL   9          HG22      VAL   9  12.362  -8.388  -3.373
   76   3HG2  VAL   9          HG23      VAL   9  11.562  -6.861  -3.749
   77    H    TRP  10           HN       TRP  10   7.145  -9.364  -4.140
   78    HA   TRP  10           HA       TRP  10   5.587  -8.789  -1.755
   79   1HB   TRP  10          HB2       TRP  10   4.344  -8.955  -3.824
   80   2HB   TRP  10          HB1       TRP  10   4.996 -10.564  -4.129
   81    HD1  TRP  10           HD1      TRP  10   3.592  -9.409  -0.734
   82    HE1  TRP  10           HE1      TRP  10   1.560 -10.864  -0.147
   83    HE3  TRP  10           HE3      TRP  10   3.232 -12.075  -5.082
   84    HZ2  TRP  10           HZ2      TRP  10  -0.003 -12.875  -1.371
   85    HZ3  TRP  10           HZ3      TRP  10   1.436 -13.745  -5.290
   86    HH2  TRP  10           HH2      TRP  10  -0.145 -14.137  -3.475
   87    H    ASN  11           HN       ASN  11   6.207  -9.758   0.015
   88    HA   ASN  11           HA       ASN  11   7.333 -12.443  -0.098
   89   1HB   ASN  11          HB2       ASN  11   8.223 -10.458   1.336
   90   2HB   ASN  11          HB1       ASN  11   6.891 -10.853   2.416
   91   1HD2  ASN  11          HD21      ASN  11   7.009 -12.625   3.675
   92   2HD2  ASN  11          HD22      ASN  11   8.404 -13.643   3.789
   93    H    GLU  12           HN       GLU  12   5.513 -13.544  -0.722
   94    HA   GLU  12           HA       GLU  12   2.925 -13.104   0.171
   95   1HB   GLU  12          HB2       GLU  12   2.447 -15.336  -0.867
   96   2HB   GLU  12          HB1       GLU  12   3.259 -14.171  -1.903
   97   1HG   GLU  12          HG2       GLU  12   5.415 -15.294  -1.348
   98   2HG   GLU  12          HG1       GLU  12   4.484 -16.537  -0.510
   99    H    GLY  13           HN       GLY  13   5.420 -15.058   1.669
  100   1HA   GLY  13          HA2       GLY  13   3.658 -16.764   3.118
  101   2HA   GLY  13          HA1       GLY  13   5.342 -16.439   3.512
  102    H    LYS  14           HN       LYS  14   4.569 -13.494   3.466
  103    HA   LYS  14           HA       LYS  14   3.479 -13.417   6.205
  104   1HB   LYS  14          HB2       LYS  14   5.571 -11.703   4.864
  105   2HB   LYS  14          HB1       LYS  14   4.764 -11.211   6.343
  106   1HG   LYS  14          HG2       LYS  14   6.920 -12.164   6.829
  107   2HG   LYS  14          HG1       LYS  14   5.643 -13.193   7.481
  108   1HD   LYS  14          HD2       LYS  14   5.899 -14.701   5.571
  109   2HD   LYS  14          HD1       LYS  14   7.157 -13.659   4.909
  110   1HE   LYS  14          HE2       LYS  14   7.261 -15.146   7.520
  111   2HE   LYS  14          HE1       LYS  14   8.119 -15.580   6.048
  112   1HZ   LYS  14          HZ1       LYS  14   9.494 -14.378   7.705
  113   2HZ   LYS  14          HZ2       LYS  14   8.521 -13.012   7.489
  114   3HZ   LYS  14          HZ3       LYS  14   9.437 -13.610   6.196
  115    H    ARG  15           HN       ARG  15   2.800 -12.747   3.057
  116    HA   ARG  15           HA       ARG  15   1.366 -11.411   1.907
  117   1HB   ARG  15          HB2       ARG  15   0.097 -10.874   4.599
  118   2HB   ARG  15          HB1       ARG  15  -0.664 -10.711   3.022
  119   1HG   ARG  15          HG2       ARG  15  -0.557 -13.095   2.685
  120   2HG   ARG  15          HG1       ARG  15   0.318 -13.287   4.204
  121   1HD   ARG  15          HD2       ARG  15  -1.617 -12.372   5.410
  122   2HD   ARG  15          HD1       ARG  15  -2.496 -12.264   3.884
  123    HE   ARG  15           HE       ARG  15  -2.231 -14.733   3.746
  124   1HH1  ARG  15          HH11      ARG  15  -2.083 -13.105   6.843
  125   2HH1  ARG  15          HH12      ARG  15  -2.577 -14.506   7.744
  126   1HH2  ARG  15          HH21      ARG  15  -2.870 -16.578   4.943
  127   2HH2  ARG  15          HH22      ARG  15  -3.033 -16.465   6.670
  128    H    ARG  16           HN       ARG  16   3.732 -10.219   2.412
  129    HA   ARG  16           HA       ARG  16   2.968  -7.443   2.931
  130   1HB   ARG  16          HB2       ARG  16   4.591  -7.087   4.547
  131   2HB   ARG  16          HB1       ARG  16   4.065  -8.717   4.924
  132   1HG   ARG  16          HG2       ARG  16   6.011  -9.531   3.537
  133   2HG   ARG  16          HG1       ARG  16   6.588  -7.864   3.544
  134   1HD   ARG  16          HD2       ARG  16   6.212  -9.722   5.880
  135   2HD   ARG  16          HD1       ARG  16   7.699  -8.965   5.320
  136    HE   ARG  16           HE       ARG  16   5.489  -7.541   6.657
  137   1HH1  ARG  16          HH11      ARG  16   8.865  -7.832   5.789
  138   2HH1  ARG  16          HH12      ARG  16   9.386  -6.559   6.857
  139   1HH2  ARG  16          HH21      ARG  16   6.162  -5.881   8.100
  140   2HH2  ARG  16          HH22      ARG  16   7.846  -5.469   8.187
  141    H    PHE  17           HN       PHE  17   4.309  -5.895   1.909
  142    HA   PHE  17           HA       PHE  17   5.972  -7.006  -0.254
  143   1HB   PHE  17          HB2       PHE  17   4.739  -4.248  -0.043
  144   2HB   PHE  17          HB1       PHE  17   5.695  -4.848  -1.390
  145    HD1  PHE  17           HD1      PHE  17   2.462  -4.292  -0.215
  146    HD2  PHE  17           HD2      PHE  17   4.763  -7.073  -2.467
  147    HE1  PHE  17           HE1      PHE  17   0.407  -5.121  -1.284
  148    HE2  PHE  17           HE2      PHE  17   2.714  -7.899  -3.543
  149    HZ   PHE  17           HZ       PHE  17   0.532  -6.880  -2.987
  150    H    GLU  18           HN       GLU  18   8.028  -6.155  -0.601
  151    HA   GLU  18           HA       GLU  18   9.035  -4.164   1.286
  152   1HB   GLU  18          HB2       GLU  18   9.452  -6.663   2.007
  153   2HB   GLU  18          HB1       GLU  18  10.692  -6.595   0.767
  154   1HG   GLU  18          HG2       GLU  18  11.829  -4.833   1.893
  155   2HG   GLU  18          HG1       GLU  18  10.527  -4.691   3.075
  156    H    THR  19           HN       THR  19  10.120  -2.678   0.240
  157    HA   THR  19           HA       THR  19  10.552  -2.760  -2.550
  158    HB   THR  19           HB       THR  19  10.326  -0.663  -1.205
  159    HG1  THR  19           HG1      THR  19  11.175  -0.067  -3.072
  160   1HG2  THR  19          HG21      THR  19  13.138  -1.325  -0.334
  161   2HG2  THR  19          HG22      THR  19  11.711  -1.226   0.697
  162   3HG2  THR  19          HG23      THR  19  12.335   0.226  -0.087
  163    H    GLU  20           HN       GLU  20  12.702  -2.448  -3.541
  164    HA   GLU  20           HA       GLU  20  14.402  -4.632  -3.148
  165   1HB   GLU  20          HB2       GLU  20  15.778  -3.576  -4.838
  166   2HB   GLU  20          HB1       GLU  20  14.078  -3.366  -5.252
  167   1HG   GLU  20          HG2       GLU  20  14.243  -1.101  -4.116
  168   2HG   GLU  20          HG1       GLU  20  15.990  -1.333  -4.160
  169    H    ASP  21           HN       ASP  21  14.073  -1.923  -1.333
  170    HA   ASP  21           HA       ASP  21  16.891  -1.709  -0.598
  171   1HB   ASP  21          HB2       ASP  21  15.534   0.322  -1.221
  172   2HB   ASP  21          HB1       ASP  21  14.567   0.041   0.217
  173    H    HIS  22           HN       HIS  22  13.949  -3.042   0.377
  174    HA   HIS  22           HA       HIS  22  13.292  -4.343   2.107
  175   1HB   HIS  22          HB2       HIS  22  16.189  -4.184   2.963
  176   2HB   HIS  22          HB1       HIS  22  14.993  -5.291   3.630
  177    HD1  HIS  22           HD1      HIS  22  14.100  -7.174   1.981
  178    HD2  HIS  22           HD2      HIS  22  17.341  -4.958   0.602
  179    HE1  HIS  22           HE1      HIS  22  15.072  -8.496   0.063
  180    HE2  HIS  22           HE2      HIS  22  16.888  -7.019  -0.886
  181    H    GLU  23           HN       GLU  23  14.766  -1.334   2.702
  182    HA   GLU  23           HA       GLU  23  14.143  -1.113   5.472
  183   1HB   GLU  23          HB2       GLU  23  14.610   1.045   3.408
  184   2HB   GLU  23          HB1       GLU  23  14.616   1.270   5.152
  185   1HG   GLU  23          HG2       GLU  23  16.536  -0.479   3.628
  186   2HG   GLU  23          HG1       GLU  23  16.868   1.166   4.178
  187    H    ALA  24           HN       ALA  24  12.522  -0.337   2.472
  188    HA   ALA  24           HA       ALA  24  10.206   0.713   3.918
  189   1HB   ALA  24          HB1       ALA  24  10.795   0.642   0.962
  190   2HB   ALA  24          HB2       ALA  24  10.948   2.044   2.022
  191   3HB   ALA  24          HB3       ALA  24   9.358   1.347   1.700
  192    H    PHE  25           HN       PHE  25   8.343  -0.392   4.075
  193    HA   PHE  25           HA       PHE  25   7.843  -2.707   2.436
  194   1HB   PHE  25          HB2       PHE  25   7.593  -4.222   4.429
  195   2HB   PHE  25          HB1       PHE  25   9.253  -3.777   4.047
  196    HD1  PHE  25           HD1      PHE  25   6.475  -3.311   6.412
  197    HD2  PHE  25           HD2      PHE  25  10.555  -2.441   5.558
  198    HE1  PHE  25           HE1      PHE  25   6.789  -2.534   8.725
  199    HE2  PHE  25           HE2      PHE  25  10.871  -1.659   7.870
  200    HZ   PHE  25           HZ       PHE  25   8.986  -1.706   9.454
  201    H    ILE  26           HN       ILE  26   5.775  -3.659   2.848
  202    HA   ILE  26           HA       ILE  26   3.881  -2.035   4.388
  203    HB   ILE  26           HB       ILE  26   3.897  -2.503   1.476
  204   1HG1  ILE  26          HG12      ILE  26   3.795  -0.326   3.036
  205   2HG1  ILE  26          HG11      ILE  26   3.166  -0.354   1.393
  206   1HG2  ILE  26          HG21      ILE  26   2.121  -4.068   2.014
  207   2HG2  ILE  26          HG22      ILE  26   1.427  -2.624   1.279
  208   3HG2  ILE  26          HG23      ILE  26   1.319  -2.863   3.026
  209   1HD1  ILE  26          HD11      ILE  26   0.931  -0.784   2.280
  210   2HD1  ILE  26          HD12      ILE  26   1.622   0.718   2.894
  211   3HD1  ILE  26          HD13      ILE  26   1.584  -0.716   3.917
  212    H    GLU  27           HN       GLU  27   2.579  -3.265   5.617
  213    HA   GLU  27           HA       GLU  27   2.553  -6.165   5.068
  214   1HB   GLU  27          HB2       GLU  27   3.346  -5.429   7.311
  215   2HB   GLU  27          HB1       GLU  27   1.791  -4.655   7.587
  216   1HG   GLU  27          HG2       GLU  27   0.718  -6.887   7.349
  217   2HG   GLU  27          HG1       GLU  27   2.330  -7.600   7.268
  218    H    TYR  28           HN       TYR  28   0.481  -7.248   4.946
  219    HA   TYR  28           HA       TYR  28  -1.846  -5.670   5.547
  220   1HB   TYR  28          HB2       TYR  28  -2.954  -5.853   3.417
  221   2HB   TYR  28          HB1       TYR  28  -1.420  -5.033   3.201
  222    HD1  TYR  28           HD1      TYR  28  -3.315  -8.108   2.518
  223    HD2  TYR  28           HD2      TYR  28   0.326  -6.006   1.847
  224    HE1  TYR  28           HE1      TYR  28  -2.715  -9.712   0.753
  225    HE2  TYR  28           HE2      TYR  28   0.925  -7.598   0.072
  226    HH   TYR  28           HH       TYR  28  -1.306  -9.927  -1.149
  227    H    LYS  29           HN       LYS  29  -3.810  -6.886   5.571
  228    HA   LYS  29           HA       LYS  29  -3.439  -9.787   5.568
  229   1HB   LYS  29          HB2       LYS  29  -4.796  -9.939   7.667
  230   2HB   LYS  29          HB1       LYS  29  -3.209  -9.222   7.892
  231   1HG   LYS  29          HG2       LYS  29  -5.395  -7.321   7.383
  232   2HG   LYS  29          HG1       LYS  29  -5.486  -8.208   8.906
  233   1HD   LYS  29          HD2       LYS  29  -3.087  -6.638   7.951
  234   2HD   LYS  29          HD1       LYS  29  -4.280  -6.055   9.114
  235   1HE   LYS  29          HE2       LYS  29  -3.713  -8.002  10.561
  236   2HE   LYS  29          HE1       LYS  29  -2.426  -8.414   9.432
  237   1HZ   LYS  29          HZ1       LYS  29  -1.684  -7.131  11.393
  238   2HZ   LYS  29          HZ2       LYS  29  -2.619  -5.817  10.868
  239   3HZ   LYS  29          HZ3       LYS  29  -1.318  -6.370   9.927
  240    H    MET  30           HN       MET  30  -5.316 -10.957   5.096
  241    HA   MET  30           HA       MET  30  -7.274  -9.332   3.636
  242   1HB   MET  30          HB2       MET  30  -6.921 -12.347   3.685
  243   2HB   MET  30          HB1       MET  30  -7.948 -11.433   2.587
  244   1HG   MET  30          HG2       MET  30  -5.980 -10.377   1.615
  245   2HG   MET  30          HG1       MET  30  -4.946 -11.279   2.723
  246   1HE   MET  30          HE1       MET  30  -4.114 -13.089  -0.604
  247   2HE   MET  30          HE2       MET  30  -3.473 -12.327   0.852
  248   3HE   MET  30          HE3       MET  30  -4.353 -11.363  -0.334
  249    H    ARG  31           HN       ARG  31  -9.001  -8.747   4.690
  250    HA   ARG  31           HA       ARG  31  -9.940 -10.307   6.991
  251   1HB   ARG  31          HB2       ARG  31 -10.357  -7.440   6.134
  252   2HB   ARG  31          HB1       ARG  31 -11.233  -8.176   7.471
  253   1HG   ARG  31          HG2       ARG  31  -9.213  -8.494   8.708
  254   2HG   ARG  31          HG1       ARG  31  -8.226  -8.048   7.318
  255   1HD   ARG  31          HD2       ARG  31  -8.305  -6.220   8.900
  256   2HD   ARG  31          HD1       ARG  31  -9.151  -5.771   7.420
  257    HE   ARG  31           HE       ARG  31 -10.989  -6.825   9.282
  258   1HH1  ARG  31          HH11      ARG  31  -8.959  -3.996   8.793
  259   2HH1  ARG  31          HH12      ARG  31 -10.060  -2.926   9.623
  260   1HH2  ARG  31          HH21      ARG  31 -12.419  -5.423  10.373
  261   2HH2  ARG  31          HH22      ARG  31 -12.011  -3.742  10.537
  262    H    ASN  32           HN       ASN  32 -12.298 -10.423   7.294
  263    HA   ASN  32           HA       ASN  32 -14.383 -11.039   6.628
  264   1HB   ASN  32          HB2       ASN  32 -14.304  -8.630   5.812
  265   2HB   ASN  32          HB1       ASN  32 -13.926  -9.280   4.217
  266   1HD2  ASN  32          HD21      ASN  32 -15.794  -8.294   3.451
  267   2HD2  ASN  32          HD22      ASN  32 -17.353  -9.004   3.696
  268    H    ASN  33           HN       ASN  33 -13.093 -13.103   6.226
  269    HA   ASN  33           HA       ASN  33 -12.851 -15.038   5.056
  270   1HB   ASN  33          HB2       ASN  33 -15.222 -14.611   4.419
  271   2HB   ASN  33          HB1       ASN  33 -14.657 -13.758   2.987
  272   1HD2  ASN  33          HD21      ASN  33 -15.595 -15.146   1.538
  273   2HD2  ASN  33          HD22      ASN  33 -15.071 -16.779   1.311
  274    H    GLY  34           HN       GLY  34 -11.503 -12.259   4.227
  275   1HA   GLY  34          HA2       GLY  34  -9.423 -12.062   3.142
  276   2HA   GLY  34          HA1       GLY  34  -9.777 -13.531   2.245
  277    H    LYS  35           HN       LYS  35 -12.243 -11.134   2.438
  278    HA   LYS  35           HA       LYS  35 -11.914 -10.674  -0.430
  279   1HB   LYS  35          HB2       LYS  35 -14.238  -9.810   1.285
  280   2HB   LYS  35          HB1       LYS  35 -14.191  -9.958  -0.466
  281   1HG   LYS  35          HG2       LYS  35 -14.216 -12.153   1.580
  282   2HG   LYS  35          HG1       LYS  35 -15.428 -11.794   0.349
  283   1HD   LYS  35          HD2       LYS  35 -12.617 -12.774  -0.170
  284   2HD   LYS  35          HD1       LYS  35 -14.088 -13.744  -0.279
  285   1HE   LYS  35          HE2       LYS  35 -13.529 -11.292  -1.941
  286   2HE   LYS  35          HE1       LYS  35 -13.223 -12.944  -2.474
  287   1HZ   LYS  35          HZ1       LYS  35 -15.356 -12.041  -3.266
  288   2HZ   LYS  35          HZ2       LYS  35 -15.891 -11.916  -1.661
  289   3HZ   LYS  35          HZ3       LYS  35 -15.542 -13.438  -2.324
  290    H    VAL  36           HN       VAL  36 -11.286  -9.164   2.526
  291    HA   VAL  36           HA       VAL  36 -10.943  -6.595   1.128
  292    HB   VAL  36           HB       VAL  36 -11.586  -7.030   4.051
  293   1HG1  VAL  36          HG11      VAL  36 -11.664  -4.583   4.212
  294   2HG1  VAL  36          HG12      VAL  36 -11.108  -4.458   2.544
  295   3HG1  VAL  36          HG13      VAL  36 -10.055  -5.159   3.775
  296   1HG2  VAL  36          HG21      VAL  36 -13.666  -5.823   3.537
  297   2HG2  VAL  36          HG22      VAL  36 -13.529  -7.325   2.623
  298   3HG2  VAL  36          HG23      VAL  36 -13.209  -5.780   1.835
  299    H    MET  37           HN       MET  37  -8.869  -6.019   0.910
  300    HA   MET  37           HA       MET  37  -6.871  -7.304   2.607
  301   1HB   MET  37          HB2       MET  37  -6.692  -5.641   0.098
  302   2HB   MET  37          HB1       MET  37  -5.268  -6.012   1.062
  303   1HG   MET  37          HG2       MET  37  -5.801  -8.431   0.774
  304   2HG   MET  37          HG1       MET  37  -7.074  -7.953  -0.348
  305   1HE   MET  37          HE1       MET  37  -4.693  -9.967  -1.070
  306   2HE   MET  37          HE2       MET  37  -4.272  -9.410  -2.691
  307   3HE   MET  37          HE3       MET  37  -5.965  -9.520  -2.207
  308    H    ASP  38           HN       ASP  38  -6.379  -6.389   4.439
  309    HA   ASP  38           HA       ASP  38  -6.764  -3.530   4.795
  310   1HB   ASP  38          HB2       ASP  38  -7.414  -5.290   6.505
  311   2HB   ASP  38          HB1       ASP  38  -5.694  -5.536   6.784
  312    H    LEU  39           HN       LEU  39  -5.232  -2.329   3.986
  313    HA   LEU  39           HA       LEU  39  -2.502  -3.249   3.785
  314   1HB   LEU  39          HB2       LEU  39  -3.989  -0.792   2.906
  315   2HB   LEU  39          HB1       LEU  39  -2.234  -0.804   2.909
  316    HG   LEU  39           HG       LEU  39  -2.142  -2.503   1.267
  317   1HD1  LEU  39          HD11      LEU  39  -3.926  -3.942   2.085
  318   2HD1  LEU  39          HD12      LEU  39  -4.077  -3.637   0.354
  319   3HD1  LEU  39          HD13      LEU  39  -5.124  -2.790   1.494
  320   1HD2  LEU  39          HD21      LEU  39  -4.324  -0.564   0.550
  321   2HD2  LEU  39          HD22      LEU  39  -3.357  -1.494  -0.596
  322   3HD2  LEU  39          HD23      LEU  39  -2.590  -0.276   0.422
  323    H    VAL  40           HN       VAL  40  -1.384  -3.263   5.602
  324    HA   VAL  40           HA       VAL  40  -1.964  -1.137   7.532
  325    HB   VAL  40           HB       VAL  40  -2.895  -3.231   8.272
  326   1HG1  VAL  40          HG11      VAL  40  -1.497  -5.165   8.826
  327   2HG1  VAL  40          HG12      VAL  40  -0.117  -4.358   8.080
  328   3HG1  VAL  40          HG13      VAL  40  -1.512  -4.811   7.098
  329   1HG2  VAL  40          HG21      VAL  40  -0.449  -2.485   9.858
  330   2HG2  VAL  40          HG22      VAL  40  -1.823  -3.408  10.469
  331   3HG2  VAL  40          HG23      VAL  40  -2.039  -1.729   9.972
  332    H    HIS  41           HN       HIS  41  -0.355   0.202   7.439
  333    HA   HIS  41           HA       HIS  41   1.554   1.038   8.293
  334   1HB   HIS  41          HB2       HIS  41   1.662  -1.183   9.647
  335   2HB   HIS  41          HB1       HIS  41   2.887  -1.631   8.468
  336    HD1  HIS  41           HD1      HIS  41   2.707  -0.341  11.698
  337    HD2  HIS  41           HD2      HIS  41   4.857   0.772   8.317
  338    HE1  HIS  41           HE1      HIS  41   4.633   1.034  12.542
  339    HE2  HIS  41           HE2      HIS  41   5.727   1.935  10.459
  340    H    THR  42           HN       THR  42   1.971   2.083   6.451
  341    HA   THR  42           HA       THR  42   3.820   0.898   4.540
  342    HB   THR  42           HB       THR  42   2.140   2.563   3.741
  343    HG1  THR  42           HG1      THR  42   3.541   3.326   2.344
  344   1HG2  THR  42          HG21      THR  42   2.010   3.960   5.735
  345   2HG2  THR  42          HG22      THR  42   2.421   4.934   4.323
  346   3HG2  THR  42          HG23      THR  42   3.675   4.490   5.486
  347    H    TYR  43           HN       TYR  43   6.017   1.222   4.612
  348    HA   TYR  43           HA       TYR  43   7.020   3.305   6.393
  349   1HB   TYR  43          HB2       TYR  43   6.986   0.972   7.523
  350   2HB   TYR  43          HB1       TYR  43   8.334   0.602   6.448
  351    HD1  TYR  43           HD1      TYR  43   7.373   3.590   8.509
  352    HD2  TYR  43           HD2      TYR  43  10.331   0.700   7.520
  353    HE1  TYR  43           HE1      TYR  43   8.938   4.655  10.080
  354    HE2  TYR  43           HE2      TYR  43  11.897   1.747   9.078
  355    HH   TYR  43           HH       TYR  43  10.911   4.099  11.368
  356    H    VAL  44           HN       VAL  44   9.022   4.136   5.805
  357    HA   VAL  44           HA       VAL  44  10.428   3.031   3.546
  358    HB   VAL  44           HB       VAL  44   8.561   4.344   2.524
  359   1HG1  VAL  44          HG11      VAL  44   8.325   6.104   4.166
  360   2HG1  VAL  44          HG12      VAL  44   8.647   6.791   2.573
  361   3HG1  VAL  44          HG13      VAL  44   9.935   6.712   3.777
  362   1HG2  VAL  44          HG21      VAL  44   9.942   5.575   0.921
  363   2HG2  VAL  44          HG22      VAL  44  10.604   3.979   1.276
  364   3HG2  VAL  44          HG23      VAL  44  11.325   5.417   2.001
  365    HA   PRO  45           HA       PRO  45  13.706   4.859   5.926
  366   1HB   PRO  45          HB2       PRO  45  15.707   4.677   4.124
  367   2HB   PRO  45          HB1       PRO  45  15.047   3.256   4.944
  368   1HG   PRO  45          HG2       PRO  45  14.403   4.328   2.216
  369   2HG   PRO  45          HG1       PRO  45  14.773   2.660   2.696
  370   1HD   PRO  45          HD2       PRO  45  12.242   3.493   2.342
  371   2HD   PRO  45          HD1       PRO  45  12.669   2.323   3.610
  372    H    SER  46           HN       SER  46  15.462   6.557   5.633
  373    HA   SER  46           HA       SER  46  14.182   8.973   4.916
  374   1HB   SER  46          HB2       SER  46  17.115   8.529   5.510
  375   2HB   SER  46          HB1       SER  46  16.228  10.049   5.640
  376    HG   SER  46           HG       SER  46  16.039   9.393   7.654
  377    H    PHE  47           HN       PHE  47  15.983   6.747   3.106
  378    HA   PHE  47           HA       PHE  47  17.172   8.475   1.192
  379   1HB   PHE  47          HB2       PHE  47  16.306   5.617   0.785
  380   2HB   PHE  47          HB1       PHE  47  17.558   6.478  -0.100
  381    HD1  PHE  47           HD1      PHE  47  16.966   4.154   2.431
  382    HD2  PHE  47           HD2      PHE  47  19.478   7.445   1.455
  383    HE1  PHE  47           HE1      PHE  47  18.651   3.339   4.027
  384    HE2  PHE  47           HE2      PHE  47  21.167   6.635   3.048
  385    HZ   PHE  47           HZ       PHE  47  20.737   4.530   4.328
  386    H    LYS  48           HN       LYS  48  13.998   7.031   1.507
  387    HA   LYS  48           HA       LYS  48  13.209   8.206  -1.074
  388   1HB   LYS  48          HB2       LYS  48  12.612   5.410  -0.090
  389   2HB   LYS  48          HB1       LYS  48  11.785   6.161  -1.447
  390   1HG   LYS  48          HG2       LYS  48  13.790   6.257  -2.722
  391   2HG   LYS  48          HG1       LYS  48  14.767   5.791  -1.330
  392   1HD   LYS  48          HD2       LYS  48  12.635   4.023  -2.508
  393   2HD   LYS  48          HD1       LYS  48  14.319   3.976  -3.031
  394   1HE   LYS  48          HE2       LYS  48  13.337   3.508  -0.212
  395   2HE   LYS  48          HE1       LYS  48  13.823   2.251  -1.351
  396   1HZ   LYS  48          HZ1       LYS  48  15.605   2.783   0.206
  397   2HZ   LYS  48          HZ2       LYS  48  15.592   4.399  -0.308
  398   3HZ   LYS  48          HZ3       LYS  48  16.053   3.177  -1.385
  399    H    ARG  49           HN       ARG  49  12.875   8.886   1.803
  400    HA   ARG  49           HA       ARG  49  10.342   8.251   2.781
  401   1HB   ARG  49          HB2       ARG  49  10.692  10.235   4.269
  402   2HB   ARG  49          HB1       ARG  49  12.021   9.080   4.263
  403   1HG   ARG  49          HG2       ARG  49  13.187  10.548   2.616
  404   2HG   ARG  49          HG1       ARG  49  11.907  11.743   2.864
  405   1HD   ARG  49          HD2       ARG  49  13.899  10.711   4.874
  406   2HD   ARG  49          HD1       ARG  49  13.736  12.354   4.260
  407    HE   ARG  49           HE       ARG  49  11.320  11.707   5.478
  408   1HH1  ARG  49          HH11      ARG  49  14.678  12.191   6.381
  409   2HH1  ARG  49          HH12      ARG  49  14.304  12.597   8.033
  410   1HH2  ARG  49          HH21      ARG  49  10.831  12.269   7.623
  411   2HH2  ARG  49          HH22      ARG  49  12.108  12.670   8.735
  412    H    GLY  50           HN       GLY  50  11.361  10.846   0.628
  413   1HA   GLY  50          HA2       GLY  50   8.544  11.736   0.561
  414   2HA   GLY  50          HA1       GLY  50   9.900  12.843   0.415
  415    H    LEU  51           HN       LEU  51  10.065   9.751  -1.157
  416    HA   LEU  51           HA       LEU  51  10.093  11.165  -3.713
  417   1HB   LEU  51          HB2       LEU  51  10.874   8.331  -3.064
  418   2HB   LEU  51          HB1       LEU  51  11.045   9.097  -4.629
  419    HG   LEU  51           HG       LEU  51  12.528   9.845  -2.107
  420   1HD1  LEU  51          HD11      LEU  51  13.450   8.651  -4.716
  421   2HD1  LEU  51          HD12      LEU  51  13.344   7.813  -3.168
  422   3HD1  LEU  51          HD13      LEU  51  14.494   9.133  -3.379
  423   1HD2  LEU  51          HD21      LEU  51  13.736  11.440  -3.542
  424   2HD2  LEU  51          HD22      LEU  51  12.028  11.846  -3.380
  425   3HD2  LEU  51          HD23      LEU  51  12.616  11.081  -4.856
  426    H    GLY  52           HN       GLY  52   8.047   9.081  -1.894
  427   1HA   GLY  52          HA2       GLY  52   5.741   8.989  -2.862
  428   2HA   GLY  52          HA1       GLY  52   6.536   8.539  -4.363
  429    H    LEU  53           HN       LEU  53   8.460   6.895  -2.703
  430    HA   LEU  53           HA       LEU  53   7.475   4.473  -3.536
  431   1HB   LEU  53          HB2       LEU  53   9.837   5.094  -2.931
  432   2HB   LEU  53          HB1       LEU  53   9.400   4.881  -1.249
  433    HG   LEU  53           HG       LEU  53  10.651   2.975  -2.421
  434   1HD1  LEU  53          HD11      LEU  53   9.435   1.266  -1.197
  435   2HD1  LEU  53          HD12      LEU  53   8.057   2.353  -1.026
  436   3HD1  LEU  53          HD13      LEU  53   9.587   2.739  -0.239
  437   1HD2  LEU  53          HD21      LEU  53   9.367   2.916  -4.473
  438   2HD2  LEU  53          HD22      LEU  53   7.899   2.537  -3.569
  439   3HD2  LEU  53          HD23      LEU  53   9.228   1.376  -3.624
  440    H    ALA  54           HN       ALA  54   7.210   5.889  -0.286
  441    HA   ALA  54           HA       ALA  54   6.205   3.692   1.075
  442   1HB   ALA  54          HB1       ALA  54   5.237   5.297   2.643
  443   2HB   ALA  54          HB2       ALA  54   5.498   6.592   1.473
  444   3HB   ALA  54          HB3       ALA  54   6.877   5.751   2.180
  445    H    SER  55           HN       SER  55   4.404   6.212  -0.646
  446    HA   SER  55           HA       SER  55   1.858   5.046  -0.228
  447   1HB   SER  55          HB2       SER  55   2.721   6.982  -2.392
  448   2HB   SER  55          HB1       SER  55   1.070   6.688  -1.845
  449    HG   SER  55           HG       SER  55   2.711   7.322   0.225
  450    H    HIS  56           HN       HIS  56   4.328   4.648  -2.694
  451    HA   HIS  56           HA       HIS  56   2.675   3.272  -4.559
  452   1HB   HIS  56          HB2       HIS  56   5.652   3.513  -4.242
  453   2HB   HIS  56          HB1       HIS  56   4.963   2.379  -5.403
  454    HD1  HIS  56           HD1      HIS  56   4.451   3.313  -7.666
  455    HD2  HIS  56           HD2      HIS  56   4.694   6.274  -4.740
  456    HE1  HIS  56           HE1      HIS  56   4.122   5.495  -8.865
  457    HE2  HIS  56           HE2      HIS  56   4.422   7.267  -7.115
  458    H    LEU  57           HN       LEU  57   4.459   2.300  -1.732
  459    HA   LEU  57           HA       LEU  57   4.326  -0.493  -2.087
  460   1HB   LEU  57          HB2       LEU  57   4.214   1.152   0.445
  461   2HB   LEU  57          HB1       LEU  57   4.425  -0.587   0.399
  462    HG   LEU  57           HG       LEU  57   6.361   1.371  -0.838
  463   1HD1  LEU  57          HD11      LEU  57   7.776   0.920   1.103
  464   2HD1  LEU  57          HD12      LEU  57   6.487  -0.046   1.824
  465   3HD1  LEU  57          HD13      LEU  57   6.259   1.687   1.578
  466   1HD2  LEU  57          HD21      LEU  57   7.859  -0.550  -0.881
  467   2HD2  LEU  57          HD22      LEU  57   6.396  -0.872  -1.810
  468   3HD2  LEU  57          HD23      LEU  57   6.592  -1.569  -0.201
  469    H    CYS  58           HN       CYS  58   2.107   1.822  -0.592
  470    HA   CYS  58           HA       CYS  58   0.038   0.026   0.034
  471   1HB   CYS  58          HB2       CYS  58   0.132   2.326   0.913
  472   2HB   CYS  58          HB1       CYS  58  -0.153   2.961  -0.708
  473    HG   CYS  58           HG       CYS  58  -2.659   1.163  -0.512
  474    H    VAL  59           HN       VAL  59   0.771   1.836  -2.911
  475    HA   VAL  59           HA       VAL  59  -1.529   1.111  -4.375
  476    HB   VAL  59           HB       VAL  59   1.234   1.883  -5.333
  477   1HG1  VAL  59          HG11      VAL  59   0.214   2.337  -7.505
  478   2HG1  VAL  59          HG12      VAL  59  -1.325   1.702  -6.925
  479   3HG1  VAL  59          HG13      VAL  59   0.068   0.631  -7.083
  480   1HG2  VAL  59          HG21      VAL  59  -1.321   3.463  -5.093
  481   2HG2  VAL  59          HG22      VAL  59   0.203   4.059  -5.752
  482   3HG2  VAL  59          HG23      VAL  59   0.094   3.606  -4.051
  483    H    ALA  60           HN       ALA  60   1.553  -0.503  -3.855
  484    HA   ALA  60           HA       ALA  60   1.339  -2.477  -5.831
  485   1HB   ALA  60          HB1       ALA  60   2.919  -3.765  -4.482
  486   2HB   ALA  60          HB2       ALA  60   2.640  -2.682  -3.117
  487   3HB   ALA  60          HB3       ALA  60   3.398  -2.070  -4.588
  488    H    ALA  61           HN       ALA  61  -0.034  -2.296  -2.569
  489    HA   ALA  61           HA       ALA  61  -1.137  -4.939  -2.701
  490   1HB   ALA  61          HB1       ALA  61  -2.369  -4.313  -0.702
  491   2HB   ALA  61          HB2       ALA  61  -1.906  -2.627  -0.928
  492   3HB   ALA  61          HB3       ALA  61  -0.677  -3.840  -0.565
  493    H    PHE  62           HN       PHE  62  -2.245  -1.679  -3.417
  494    HA   PHE  62           HA       PHE  62  -4.921  -2.198  -3.995
  495   1HB   PHE  62          HB2       PHE  62  -2.978  -0.177  -5.094
  496   2HB   PHE  62          HB1       PHE  62  -4.630  -0.268  -5.689
  497    HD1  PHE  62           HD1      PHE  62  -6.090  -0.804  -3.165
  498    HD2  PHE  62           HD2      PHE  62  -2.885   1.867  -4.002
  499    HE1  PHE  62           HE1      PHE  62  -6.795   0.624  -1.280
  500    HE2  PHE  62           HE2      PHE  62  -3.598   3.307  -2.139
  501    HZ   PHE  62           HZ       PHE  62  -5.630   2.772  -0.878
  502    H    GLU  63           HN       GLU  63  -2.138  -2.178  -6.207
  503    HA   GLU  63           HA       GLU  63  -3.401  -2.949  -8.541
  504   1HB   GLU  63          HB2       GLU  63  -0.634  -3.596  -7.527
  505   2HB   GLU  63          HB1       GLU  63  -1.171  -3.964  -9.159
  506   1HG   GLU  63          HG2       GLU  63  -1.230  -1.189  -8.012
  507   2HG   GLU  63          HG1       GLU  63   0.167  -1.849  -8.862
  508    H    HIS  64           HN       HIS  64  -2.341  -4.914  -5.838
  509    HA   HIS  64           HA       HIS  64  -2.637  -7.417  -7.183
  510   1HB   HIS  64          HB2       HIS  64  -1.126  -7.055  -5.232
  511   2HB   HIS  64          HB1       HIS  64  -2.541  -6.857  -4.208
  512    HD1  HIS  64           HD1      HIS  64  -1.672  -8.938  -2.810
  513    HD2  HIS  64           HD2      HIS  64  -2.705  -9.769  -6.750
  514    HE1  HIS  64           HE1      HIS  64  -1.835 -11.439  -2.956
  515    HE2  HIS  64           HE2      HIS  64  -2.643 -11.902  -5.294
  516    H    ALA  65           HN       ALA  65  -4.598  -5.626  -4.824
  517    HA   ALA  65           HA       ALA  65  -6.654  -7.596  -4.721
  518   1HB   ALA  65          HB1       ALA  65  -6.785  -4.702  -3.909
  519   2HB   ALA  65          HB2       ALA  65  -6.210  -6.020  -2.890
  520   3HB   ALA  65          HB3       ALA  65  -7.892  -5.984  -3.421
  521    H    SER  66           HN       SER  66  -6.416  -4.403  -6.292
  522    HA   SER  66           HA       SER  66  -8.951  -4.262  -7.387
  523   1HB   SER  66          HB2       SER  66  -7.287  -2.427  -7.414
  524   2HB   SER  66          HB1       SER  66  -6.388  -3.282  -8.665
  525    HG   SER  66           HG       SER  66  -7.639  -1.988  -9.837
  526    H    SER  67           HN       SER  67  -6.071  -5.807  -8.787
  527    HA   SER  67           HA       SER  67  -7.360  -6.490 -11.229
  528   1HB   SER  67          HB2       SER  67  -4.913  -6.255 -11.043
  529   2HB   SER  67          HB1       SER  67  -4.861  -7.661  -9.982
  530    HG   SER  67           HG       SER  67  -5.745  -7.627 -12.691
  531    H    HIS  68           HN       HIS  68  -7.207  -7.988  -8.090
  532    HA   HIS  68           HA       HIS  68  -8.283 -10.490  -9.193
  533   1HB   HIS  68          HB2       HIS  68  -6.338 -10.383  -7.486
  534   2HB   HIS  68          HB1       HIS  68  -7.593 -10.051  -6.298
  535    HD1  HIS  68           HD1      HIS  68  -9.084 -12.013  -5.564
  536    HD2  HIS  68           HD2      HIS  68  -6.393 -12.999  -8.583
  537    HE1  HIS  68           HE1      HIS  68  -9.120 -14.519  -5.713
  538    HE2  HIS  68           HE2      HIS  68  -7.470 -15.103  -7.527
  539    H    SER  69           HN       SER  69  -9.597  -7.700  -8.501
  540    HA   SER  69           HA       SER  69 -11.719  -7.009  -8.063
  541   1HB   SER  69          HB2       SER  69 -12.432  -8.935  -9.403
  542   2HB   SER  69          HB1       SER  69 -12.334  -9.976  -7.985
  543    HG   SER  69           HG       SER  69 -13.894  -8.331  -7.071
  544    H    ILE  70           HN       ILE  70  -9.783  -7.490  -5.931
  545    HA   ILE  70           HA       ILE  70 -11.458  -8.279  -3.659
  546    HB   ILE  70           HB       ILE  70  -8.492  -7.659  -3.726
  547   1HG1  ILE  70          HG12      ILE  70  -9.938 -10.314  -3.745
  548   2HG1  ILE  70          HG11      ILE  70  -9.048  -9.619  -5.093
  549   1HG2  ILE  70          HG21      ILE  70  -8.431  -8.801  -1.556
  550   2HG2  ILE  70          HG22      ILE  70 -10.186  -8.970  -1.597
  551   3HG2  ILE  70          HG23      ILE  70  -9.455  -7.366  -1.509
  552   1HD1  ILE  70          HD11      ILE  70  -7.775 -11.358  -3.968
  553   2HD1  ILE  70          HD12      ILE  70  -7.867 -10.454  -2.456
  554   3HD1  ILE  70          HD13      ILE  70  -6.979  -9.790  -3.829
  555    H    SER  71           HN       SER  71 -11.799  -6.889  -1.881
  556    HA   SER  71           HA       SER  71 -11.552  -4.042  -2.499
  557   1HB   SER  71          HB2       SER  71 -12.999  -5.463  -0.245
  558   2HB   SER  71          HB1       SER  71 -13.062  -3.729  -0.570
  559    HG   SER  71           HG       SER  71 -13.734  -5.567  -2.590
  560    H    ILE  72           HN       ILE  72 -10.928  -2.623  -0.533
  561    HA   ILE  72           HA       ILE  72  -8.786  -3.885   1.023
  562    HB   ILE  72           HB       ILE  72  -8.445  -1.688  -1.026
  563   1HG1  ILE  72          HG12      ILE  72  -7.160  -4.352  -0.497
  564   2HG1  ILE  72          HG11      ILE  72  -7.988  -3.798  -1.948
  565   1HG2  ILE  72          HG21      ILE  72  -7.431  -0.757   0.927
  566   2HG2  ILE  72          HG22      ILE  72  -6.161  -1.306  -0.168
  567   3HG2  ILE  72          HG23      ILE  72  -6.574  -2.262   1.258
  568   1HD1  ILE  72          HD11      ILE  72  -5.574  -3.963  -2.261
  569   2HD1  ILE  72          HD12      ILE  72  -5.328  -2.783  -0.973
  570   3HD1  ILE  72          HD13      ILE  72  -6.152  -2.310  -2.459
  571    H    ILE  73           HN       ILE  73  -8.147  -2.730   2.835
  572    HA   ILE  73           HA       ILE  73  -9.454  -0.166   3.450
  573    HB   ILE  73           HB       ILE  73  -9.252  -2.580   5.266
  574   1HG1  ILE  73          HG12      ILE  73 -11.264  -2.432   3.863
  575   2HG1  ILE  73          HG11      ILE  73 -11.658  -2.241   5.569
  576   1HG2  ILE  73          HG21      ILE  73  -8.425  -0.659   6.505
  577   2HG2  ILE  73          HG22      ILE  73 -10.011  -1.153   7.109
  578   3HG2  ILE  73          HG23      ILE  73  -9.867   0.261   6.066
  579   1HD1  ILE  73          HD11      ILE  73 -12.924  -0.692   4.196
  580   2HD1  ILE  73          HD12      ILE  73 -11.426  -0.020   3.549
  581   3HD1  ILE  73          HD13      ILE  73 -11.816   0.178   5.258
  582    HA   PRO  74           HA       PRO  74  -5.066   0.294   4.108
  583   1HB   PRO  74          HB2       PRO  74  -5.089   3.020   3.626
  584   2HB   PRO  74          HB1       PRO  74  -4.971   1.764   2.392
  585   1HG   PRO  74          HG2       PRO  74  -7.136   3.579   2.871
  586   2HG   PRO  74          HG1       PRO  74  -7.024   2.318   1.636
  587   1HD   PRO  74          HD2       PRO  74  -8.411   2.281   4.244
  588   2HD   PRO  74          HD1       PRO  74  -8.707   1.304   2.789
  589    H    SER  75           HN       SER  75  -4.849  -0.062   6.338
  590    HA   SER  75           HA       SER  75  -5.233   1.966   8.301
  591   1HB   SER  75          HB2       SER  75  -3.217  -0.307   8.226
  592   2HB   SER  75          HB1       SER  75  -3.645   0.637   9.654
  593    HG   SER  75           HG       SER  75  -5.140  -1.315   8.269
  594    H    CYS  76           HN       CYS  76  -3.078   1.420   5.783
  595    HA   CYS  76           HA       CYS  76  -0.936   3.130   6.361
  596   1HB   CYS  76          HB2       CYS  76  -2.049   2.425   3.642
  597   2HB   CYS  76          HB1       CYS  76  -0.450   3.067   3.993
  598    HG   CYS  76           HG       CYS  76  -1.568   0.062   5.161
  599    H    SER  77           HN       SER  77  -3.681   4.264   6.866
  600    HA   SER  77           HA       SER  77  -4.762   5.804   4.911
  601   1HB   SER  77          HB2       SER  77  -4.697   6.696   7.781
  602   2HB   SER  77          HB1       SER  77  -5.991   6.899   6.598
  603    HG   SER  77           HG       SER  77  -5.935   4.442   6.611
  604    H    TYR  78           HN       TYR  78  -1.764   6.632   6.545
  605    HA   TYR  78           HA       TYR  78  -1.663   9.357   5.926
  606   1HB   TYR  78          HB2       TYR  78   0.361   8.958   6.856
  607   2HB   TYR  78          HB1       TYR  78   0.277   7.246   6.467
  608    HD1  TYR  78           HD1      TYR  78   1.147  10.562   5.057
  609    HD2  TYR  78           HD2      TYR  78   1.639   6.348   4.740
  610    HE1  TYR  78           HE1      TYR  78   2.929  10.907   3.401
  611    HE2  TYR  78           HE2      TYR  78   3.421   6.677   3.077
  612    HH   TYR  78           HH       TYR  78   4.209   8.347   1.507
  613    H    VAL  79           HN       VAL  79  -0.912   6.526   3.916
  614    HA   VAL  79           HA       VAL  79  -0.437   7.883   1.498
  615    HB   VAL  79           HB       VAL  79  -1.555   5.102   1.911
  616   1HG1  VAL  79          HG11      VAL  79  -1.938   5.925  -0.356
  617   2HG1  VAL  79          HG12      VAL  79  -0.737   4.633  -0.340
  618   3HG1  VAL  79          HG13      VAL  79  -0.224   6.313  -0.510
  619   1HG2  VAL  79          HG21      VAL  79   0.587   5.392   3.025
  620   2HG2  VAL  79          HG22      VAL  79   1.291   6.016   1.533
  621   3HG2  VAL  79          HG23      VAL  79   0.750   4.341   1.619
  622    H    SER  80           HN       SER  80  -3.394   6.418   2.840
  623    HA   SER  80           HA       SER  80  -4.916   6.808   0.482
  624   1HB   SER  80          HB2       SER  80  -6.877   6.273   1.849
  625   2HB   SER  80          HB1       SER  80  -5.554   5.164   2.204
  626    HG   SER  80           HG       SER  80  -6.650   7.205   3.771
  627    H    ASP  81           HN       ASP  81  -4.254   8.789   3.233
  628    HA   ASP  81           HA       ASP  81  -6.348  10.647   2.999
  629   1HB   ASP  81          HB2       ASP  81  -5.153  10.617   5.040
  630   2HB   ASP  81          HB1       ASP  81  -3.595  10.750   4.240
  631    H    THR  82           HN       THR  82  -2.956  10.922   1.927
  632    HA   THR  82           HA       THR  82  -3.654  13.269   0.323
  633    HB   THR  82           HB       THR  82  -1.655  13.541   1.606
  634    HG1  THR  82           HG1      THR  82  -0.841  14.538  -0.065
  635   1HG2  THR  82          HG21      THR  82   0.323  12.106   1.323
  636   2HG2  THR  82          HG22      THR  82  -0.614  11.038   0.275
  637   3HG2  THR  82          HG23      THR  82  -1.055  11.217   1.974
  638    H    PHE  83           HN       PHE  83  -2.400   9.983  -0.207
  639    HA   PHE  83           HA       PHE  83  -1.755  10.501  -2.942
  640   1HB   PHE  83          HB2       PHE  83  -0.787   8.747  -1.251
  641   2HB   PHE  83          HB1       PHE  83  -2.070   7.728  -1.881
  642    HD1  PHE  83           HD1      PHE  83  -1.288   6.209  -3.420
  643    HD2  PHE  83           HD2      PHE  83   0.324  10.148  -3.400
  644    HE1  PHE  83           HE1      PHE  83   0.095   5.655  -5.379
  645    HE2  PHE  83           HE2      PHE  83   1.715   9.595  -5.349
  646    HZ   PHE  83           HZ       PHE  83   1.600   7.345  -6.343
  647    H    LEU  84           HN       LEU  84  -4.539   9.164  -1.296
  648    HA   LEU  84           HA       LEU  84  -5.626   8.030  -3.692
  649   1HB   LEU  84          HB2       LEU  84  -6.662   8.409  -0.929
  650   2HB   LEU  84          HB1       LEU  84  -7.765   7.952  -2.218
  651    HG   LEU  84           HG       LEU  84  -5.286   6.431  -1.382
  652   1HD1  LEU  84          HD11      LEU  84  -6.850   4.708  -0.670
  653   2HD1  LEU  84          HD12      LEU  84  -8.204   5.759  -1.086
  654   3HD1  LEU  84          HD13      LEU  84  -7.105   6.210   0.217
  655   1HD2  LEU  84          HD21      LEU  84  -6.055   4.735  -2.967
  656   2HD2  LEU  84          HD22      LEU  84  -5.673   6.259  -3.770
  657   3HD2  LEU  84          HD23      LEU  84  -7.355   5.811  -3.480
  658    HA   PRO  85           HA       PRO  85  -8.243  12.123  -3.909
  659   1HB   PRO  85          HB2       PRO  85  -6.809  14.254  -2.886
  660   2HB   PRO  85          HB1       PRO  85  -8.171  13.488  -2.071
  661   1HG   PRO  85          HG2       PRO  85  -5.245  13.127  -1.674
  662   2HG   PRO  85          HG1       PRO  85  -6.548  13.178  -0.472
  663   1HD   PRO  85          HD2       PRO  85  -5.410  10.870  -1.254
  664   2HD   PRO  85          HD1       PRO  85  -7.130  10.974  -0.826
  665    H    ARG  86           HN       ARG  86  -4.783  11.829  -3.804
  666    HA   ARG  86           HA       ARG  86  -4.193  13.551  -5.999
  667   1HB   ARG  86          HB2       ARG  86  -2.541  13.084  -4.299
  668   2HB   ARG  86          HB1       ARG  86  -2.644  11.361  -4.606
  669   1HG   ARG  86          HG2       ARG  86  -1.562  11.618  -6.724
  670   2HG   ARG  86          HG1       ARG  86  -1.610  13.379  -6.584
  671   1HD   ARG  86          HD2       ARG  86  -0.111  13.349  -4.733
  672   2HD   ARG  86          HD1       ARG  86  -0.218  11.598  -4.596
  673    HE   ARG  86           HE       ARG  86   0.781  11.969  -7.093
  674   1HH1  ARG  86          HH11      ARG  86   1.693  13.186  -3.931
  675   2HH1  ARG  86          HH12      ARG  86   3.396  13.214  -4.290
  676   1HH2  ARG  86          HH21      ARG  86   3.036  11.971  -7.554
  677   2HH2  ARG  86          HH22      ARG  86   4.155  12.513  -6.339
  678    H    ASN  87           HN       ASN  87  -4.232  10.017  -5.629
  679    HA   ASN  87           HA       ASN  87  -4.927   9.770  -8.487
  680   1HB   ASN  87          HB2       ASN  87  -3.107   8.106  -6.768
  681   2HB   ASN  87          HB1       ASN  87  -3.909   7.389  -8.157
  682   1HD2  ASN  87          HD21      ASN  87  -2.999  10.725  -8.314
  683   2HD2  ASN  87          HD22      ASN  87  -1.644  10.511  -9.370
  684    HA   PRO  88           HA       PRO  88  -8.442   8.245  -6.002
  685   1HB   PRO  88          HB2       PRO  88 -10.102   9.118  -8.220
  686   2HB   PRO  88          HB1       PRO  88 -10.033   9.750  -6.574
  687   1HG   PRO  88          HG2       PRO  88  -9.169  11.154  -8.732
  688   2HG   PRO  88          HG1       PRO  88  -8.466  11.340  -7.113
  689   1HD   PRO  88          HD2       PRO  88  -7.454   9.745  -9.446
  690   2HD   PRO  88          HD1       PRO  88  -6.560  10.808  -8.337
  691    H    SER  89           HN       SER  89  -6.908   6.421  -7.580
  692    HA   SER  89           HA       SER  89  -8.817   5.205  -9.435
  693   1HB   SER  89          HB2       SER  89  -5.921   4.484  -8.941
  694   2HB   SER  89          HB1       SER  89  -6.928   3.958 -10.290
  695    HG   SER  89           HG       SER  89  -5.382   5.952 -10.390
  696    H    TRP  90           HN       TRP  90  -8.240   4.964  -6.224
  697    HA   TRP  90           HA       TRP  90  -8.601   2.042  -6.216
  698   1HB   TRP  90          HB2       TRP  90  -7.143   3.474  -4.020
  699   2HB   TRP  90          HB1       TRP  90  -7.073   1.774  -4.470
  700    HD1  TRP  90           HD1      TRP  90  -5.167   4.888  -4.796
  701    HE1  TRP  90           HE1      TRP  90  -3.309   4.662  -6.547
  702    HE3  TRP  90           HE3      TRP  90  -6.702   0.565  -7.045
  703    HZ2  TRP  90           HZ2      TRP  90  -2.582   2.886  -8.623
  704    HZ3  TRP  90           HZ3      TRP  90  -5.367  -0.330  -8.909
  705    HH2  TRP  90           HH2      TRP  90  -3.352   0.812  -9.678
  706    H    LYS  91           HN       LYS  91 -10.111   4.797  -5.736
  707    HA   LYS  91           HA       LYS  91 -11.379   4.546  -3.253
  708   1HB   LYS  91          HB2       LYS  91 -12.256   5.804  -5.846
  709   2HB   LYS  91          HB1       LYS  91 -13.264   5.834  -4.405
  710   1HG   LYS  91          HG2       LYS  91 -11.461   6.976  -3.187
  711   2HG   LYS  91          HG1       LYS  91 -10.491   6.983  -4.660
  712   1HD   LYS  91          HD2       LYS  91 -11.921   8.493  -5.731
  713   2HD   LYS  91          HD1       LYS  91 -13.237   8.191  -4.596
  714   1HE   LYS  91          HE2       LYS  91 -12.251  10.362  -4.162
  715   2HE   LYS  91          HE1       LYS  91 -11.930   9.273  -2.815
  716   1HZ   LYS  91          HZ1       LYS  91 -10.048  10.191  -4.912
  717   2HZ   LYS  91          HZ2       LYS  91  -9.708   8.872  -3.906
  718   3HZ   LYS  91          HZ3       LYS  91  -9.936  10.406  -3.239
  719    HA   PRO  92           HA       PRO  92 -14.542   1.615  -5.569
  720   1HB   PRO  92          HB2       PRO  92 -12.784   0.482  -7.647
  721   2HB   PRO  92          HB1       PRO  92 -14.483   0.960  -7.748
  722   1HG   PRO  92          HG2       PRO  92 -12.603   2.426  -8.908
  723   2HG   PRO  92          HG1       PRO  92 -13.966   3.199  -8.078
  724   1HD   PRO  92          HD2       PRO  92 -11.157   2.773  -7.107
  725   2HD   PRO  92          HD1       PRO  92 -12.171   4.230  -7.005
  726    H    LEU  93           HN       LEU  93 -11.561   1.284  -4.282
  727    HA   LEU  93           HA       LEU  93 -11.867  -1.622  -3.909
  728   1HB   LEU  93          HB2       LEU  93  -9.435   0.103  -3.434
  729   2HB   LEU  93          HB1       LEU  93  -9.519  -1.639  -3.230
  730    HG   LEU  93           HG       LEU  93  -9.915  -0.201  -5.843
  731   1HD1  LEU  93          HD11      LEU  93  -7.691  -1.099  -6.417
  732   2HD1  LEU  93          HD12      LEU  93  -7.515  -1.676  -4.760
  733   3HD1  LEU  93          HD13      LEU  93  -7.628   0.053  -5.082
  734   1HD2  LEU  93          HD21      LEU  93 -11.083  -2.328  -5.738
  735   2HD2  LEU  93          HD22      LEU  93  -9.618  -3.131  -5.169
  736   3HD2  LEU  93          HD23      LEU  93  -9.681  -2.460  -6.799
  737    H    ILE  94           HN       ILE  94 -10.920   1.345  -2.226
  738    HA   ILE  94           HA       ILE  94 -11.669   0.107   0.319
  739    HB   ILE  94           HB       ILE  94 -10.436   1.826   1.419
  740   1HG1  ILE  94          HG12      ILE  94  -9.714   3.220  -1.127
  741   2HG1  ILE  94          HG11      ILE  94 -11.254   3.599  -0.353
  742   1HG2  ILE  94          HG21      ILE  94  -8.928   1.017  -1.060
  743   2HG2  ILE  94          HG22      ILE  94  -9.086   0.064   0.417
  744   3HG2  ILE  94          HG23      ILE  94  -8.211   1.596   0.443
  745   1HD1  ILE  94          HD11      ILE  94  -9.509   5.144   0.331
  746   2HD1  ILE  94          HD12      ILE  94  -8.543   3.792   0.932
  747   3HD1  ILE  94          HD13      ILE  94 -10.084   4.184   1.694
  748    H    HIS  95           HN       HIS  95 -12.173   2.644   1.617
  749    HA   HIS  95           HA       HIS  95 -14.863   3.149   0.841
  750   1HB   HIS  95          HB2       HIS  95 -12.984   4.252   2.877
  751   2HB   HIS  95          HB1       HIS  95 -14.422   5.190   2.470
  752    HD1  HIS  95           HD1      HIS  95 -16.708   4.233   3.182
  753    HD2  HIS  95           HD2      HIS  95 -13.463   1.872   4.283
  754    HE1  HIS  95           HE1      HIS  95 -17.609   2.566   4.841
  755    HE2  HIS  95           HE2      HIS  95 -15.668   1.034   5.347
  756    H    SER  96           HN       SER  96 -12.187   5.568   1.022
  757    HA   SER  96           HA       SER  96 -12.319   6.161  -1.753
  758   1HB   SER  96          HB2       SER  96 -13.120   8.617  -1.259
  759   2HB   SER  96          HB1       SER  96 -14.301   7.334  -1.531
  760    HG   SER  96           HG       SER  96 -15.035   8.166   0.287
  761    H    GLU  97           HN       GLU  97 -11.513   7.513   1.438
  762    HA   GLU  97           HA       GLU  97  -8.881   8.232   0.553
  763   1HB   GLU  97          HB2       GLU  97 -10.400  10.051  -0.274
  764   2HB   GLU  97          HB1       GLU  97 -10.819  10.394   1.400
  765   1HG   GLU  97          HG2       GLU  97  -8.546  11.062   1.856
  766   2HG   GLU  97          HG1       GLU  97  -8.058  10.591   0.225
  767    H    VAL  98           HN       VAL  98  -8.931  10.276   2.833
  768    HA   VAL  98           HA       VAL  98  -8.201   8.432   4.900
  769    HB   VAL  98           HB       VAL  98  -7.059  10.594   4.413
  770   1HG1  VAL  98          HG11      VAL  98  -8.976  12.018   4.076
  771   2HG1  VAL  98          HG12      VAL  98  -7.969  12.660   5.374
  772   3HG1  VAL  98          HG13      VAL  98  -9.465  11.807   5.757
  773   1HG2  VAL  98          HG21      VAL  98  -7.998  10.201   7.249
  774   2HG2  VAL  98          HG22      VAL  98  -6.598  11.155   6.758
  775   3HG2  VAL  98          HG23      VAL  98  -6.620   9.414   6.480
  776    H    PHE  99           HN       PHE  99 -11.050   8.418   4.129
  777    HA   PHE  99           HA       PHE  99 -13.052   8.059   5.142
  778   1HB   PHE  99          HB2       PHE  99 -11.525   8.524   7.715
  779   2HB   PHE  99          HB1       PHE  99 -13.179   7.930   7.615
  780    HD1  PHE  99           HD1      PHE  99 -13.601   5.728   6.454
  781    HD2  PHE  99           HD2      PHE  99  -9.704   7.065   7.525
  782    HE1  PHE  99           HE1      PHE  99 -12.767   3.421   6.287
  783    HE2  PHE  99           HE2      PHE  99  -8.863   4.760   7.354
  784    HZ   PHE  99           HZ       PHE  99 -10.385   2.942   6.683
  785    H    LYS 100           HN       LYS 100 -11.808  10.624   4.436
  786    HA   LYS 100           HA       LYS 100 -12.803  12.780   5.914
  787   1HB   LYS 100          HB2       LYS 100 -12.617  13.972   3.695
  788   2HB   LYS 100          HB1       LYS 100 -11.162  13.113   4.191
  789   1HG   LYS 100          HG2       LYS 100 -11.229  11.755   2.422
  790   2HG   LYS 100          HG1       LYS 100 -12.958  11.456   2.610
  791   1HD   LYS 100          HD2       LYS 100 -13.311  13.758   1.607
  792   2HD   LYS 100          HD1       LYS 100 -11.607  13.709   1.198
  793   1HE   LYS 100          HE2       LYS 100 -11.954  11.674  -0.097
  794   2HE   LYS 100          HE1       LYS 100 -13.671  11.727   0.297
  795   1HZ   LYS 100          HZ1       LYS 100 -12.155  13.719  -1.305
  796   2HZ   LYS 100          HZ2       LYS 100 -13.772  13.908  -0.825
  797   3HZ   LYS 100          HZ3       LYS 100 -13.340  12.643  -1.871
  798    H    SER 101           HN       SER 101 -14.139  10.920   3.281
  799    HA   SER 101           HA       SER 101 -16.813  12.011   3.758
  800   1HB   SER 101          HB2       SER 101 -15.911  13.214   1.860
  801   2HB   SER 101          HB1       SER 101 -15.326  11.716   1.132
  802    HG   SER 101           HG       SER 101 -17.732  11.158   1.229
  803    H    SER 102           HN       SER 102 -15.032   9.547   4.159
  804    HA   SER 102           HA       SER 102 -16.297   7.481   2.584
  805   1HB   SER 102          HB2       SER 102 -14.338   7.209   4.871
  806   2HB   SER 102          HB1       SER 102 -14.698   6.012   3.630
  807    HG   SER 102           HG       SER 102 -13.930   7.672   2.094
  808    H    ILE 103           HN       ILE 103 -17.833   9.071   4.654
  809    HA   ILE 103           HA       ILE 103 -18.520   7.011   6.598
  810    HB   ILE 103           HB       ILE 103 -20.008   8.766   7.583
  811   1HG1  ILE 103          HG12      ILE 103 -18.614  10.576   5.598
  812   2HG1  ILE 103          HG11      ILE 103 -20.310  10.108   5.524
  813   1HG2  ILE 103          HG21      ILE 103 -18.166  10.058   8.562
  814   2HG2  ILE 103          HG22      ILE 103 -17.090   9.474   7.293
  815   3HG2  ILE 103          HG23      ILE 103 -17.779   8.343   8.457
  816   1HD1  ILE 103          HD11      ILE 103 -20.695  11.222   7.667
  817   2HD1  ILE 103          HD12      ILE 103 -20.071  12.327   6.443
  818   3HD1  ILE 103          HD13      ILE 103 -19.003  11.713   7.704
  Start of MODEL    9
    1   1H    MET   1           HT1      MET   1  16.169  15.243 -10.866
    2   2H    MET   1           HT2      MET   1  16.292  15.491  -9.193
    3   3H    MET   1           HT3      MET   1  15.190  16.403 -10.104
    4    HA   MET   1           HA       MET   1  14.041  14.706  -8.880
    5   1HB   MET   1          HB2       MET   1  14.202  14.257 -11.862
    6   2HB   MET   1          HB1       MET   1  13.010  13.470 -10.836
    7   1HG   MET   1          HG2       MET   1  13.329  16.448 -11.152
    8   2HG   MET   1          HG1       MET   1  12.127  15.456 -11.977
    9   1HE   MET   1          HE1       MET   1  11.214  13.390  -9.794
   10   2HE   MET   1          HE2       MET   1  10.087  14.295 -10.805
   11   3HE   MET   1          HE3       MET   1   9.857  14.241  -9.057
   12    H    ALA   2           HN       ALA   2  14.493  13.015  -7.673
   13    HA   ALA   2           HA       ALA   2  16.358  10.988  -8.715
   14   1HB   ALA   2          HB1       ALA   2  16.795  10.414  -6.382
   15   2HB   ALA   2          HB2       ALA   2  15.615  11.617  -5.857
   16   3HB   ALA   2          HB3       ALA   2  17.088  12.127  -6.682
   17    H    THR   3           HN       THR   3  13.286  11.267  -8.961
   18    HA   THR   3           HA       THR   3  12.249   9.046  -7.477
   19    HB   THR   3           HB       THR   3  10.230   9.393  -9.006
   20    HG1  THR   3           HG1      THR   3  11.895  10.760 -10.425
   21   1HG2  THR   3          HG21      THR   3   9.555  11.456  -7.842
   22   2HG2  THR   3          HG22      THR   3  11.224  11.698  -7.324
   23   3HG2  THR   3          HG23      THR   3  10.317  10.300  -6.750
   24    H    GLU   4           HN       GLU   4  13.002   7.089  -7.965
   25    HA   GLU   4           HA       GLU   4  13.198   6.295 -10.785
   26   1HB   GLU   4          HB2       GLU   4  14.563   5.398  -8.282
   27   2HB   GLU   4          HB1       GLU   4  14.353   4.237  -9.585
   28   1HG   GLU   4          HG2       GLU   4  15.710   6.906  -9.863
   29   2HG   GLU   4          HG1       GLU   4  16.537   5.367  -9.630
   30    HA   PRO   5           HA       PRO   5   9.886   3.340 -10.051
   31   1HB   PRO   5          HB2       PRO   5  10.459   1.518 -11.968
   32   2HB   PRO   5          HB1       PRO   5   9.731   3.084 -12.340
   33   1HG   PRO   5          HG2       PRO   5  12.564   2.192 -12.626
   34   2HG   PRO   5          HG1       PRO   5  11.603   3.240 -13.683
   35   1HD   PRO   5          HD2       PRO   5  13.454   4.153 -11.866
   36   2HD   PRO   5          HD1       PRO   5  12.085   5.109 -12.465
   37    HA   PRO   6           HA       PRO   6  12.574   0.724  -7.479
   38   1HB   PRO   6          HB2       PRO   6  10.182   0.451  -5.816
   39   2HB   PRO   6          HB1       PRO   6  11.741   1.173  -5.410
   40   1HG   PRO   6          HG2       PRO   6   9.525   2.675  -5.697
   41   2HG   PRO   6          HG1       PRO   6  11.126   3.262  -6.180
   42   1HD   PRO   6          HD2       PRO   6   8.962   2.072  -7.894
   43   2HD   PRO   6          HD1       PRO   6   9.925   3.545  -8.165
   44    H    LYS   7           HN       LYS   7  11.940  -1.469  -6.302
   45    HA   LYS   7           HA       LYS   7  10.203  -3.027  -8.073
   46   1HB   LYS   7          HB2       LYS   7  12.850  -3.141  -8.453
   47   2HB   LYS   7          HB1       LYS   7  12.729  -4.291  -7.128
   48   1HG   LYS   7          HG2       LYS   7  12.642  -5.470  -9.217
   49   2HG   LYS   7          HG1       LYS   7  11.060  -5.563  -8.439
   50   1HD   LYS   7          HD2       LYS   7  10.934  -5.084 -10.875
   51   2HD   LYS   7          HD1       LYS   7  10.192  -3.832  -9.873
   52   1HE   LYS   7          HE2       LYS   7  12.280  -2.525 -10.037
   53   2HE   LYS   7          HE1       LYS   7  12.937  -3.746 -11.122
   54   1HZ   LYS   7          HZ1       LYS   7  11.992  -1.768 -12.246
   55   2HZ   LYS   7          HZ2       LYS   7  10.454  -2.216 -11.686
   56   3HZ   LYS   7          HZ3       LYS   7  11.302  -3.232 -12.748
   57    H    ILE   8           HN       ILE   8   8.674  -3.079  -6.441
   58    HA   ILE   8           HA       ILE   8   9.513  -3.961  -3.811
   59    HB   ILE   8           HB       ILE   8   6.824  -3.036  -4.831
   60   1HG1  ILE   8          HG12      ILE   8   7.197  -1.297  -3.021
   61   2HG1  ILE   8          HG11      ILE   8   8.846  -1.895  -2.894
   62   1HG2  ILE   8          HG21      ILE   8   6.027  -3.273  -2.543
   63   2HG2  ILE   8          HG22      ILE   8   7.580  -3.971  -2.077
   64   3HG2  ILE   8          HG23      ILE   8   6.529  -4.829  -3.205
   65   1HD1  ILE   8          HD11      ILE   8   7.590  -0.651  -5.318
   66   2HD1  ILE   8          HD12      ILE   8   9.237  -1.273  -5.216
   67   3HD1  ILE   8          HD13      ILE   8   8.749   0.102  -4.223
   68    H    VAL   9           HN       VAL   9   9.402  -5.928  -3.105
   69    HA   VAL   9           HA       VAL   9   8.358  -8.002  -4.871
   70    HB   VAL   9           HB       VAL   9   9.802  -9.488  -3.772
   71   1HG1  VAL   9          HG11      VAL   9  10.986  -7.829  -5.144
   72   2HG1  VAL   9          HG12      VAL   9  11.983  -8.442  -3.823
   73   3HG1  VAL   9          HG13      VAL   9  11.240  -6.846  -3.698
   74   1HG2  VAL   9          HG21      VAL   9  10.099  -7.480  -1.544
   75   2HG2  VAL   9          HG22      VAL   9  10.938  -9.027  -1.650
   76   3HG2  VAL   9          HG23      VAL   9   9.184  -8.987  -1.470
   77    H    TRP  10           HN       TRP  10   7.288  -9.874  -3.773
   78    HA   TRP  10           HA       TRP  10   5.574  -8.907  -1.588
   79   1HB   TRP  10          HB2       TRP  10   4.283  -9.341  -3.585
   80   2HB   TRP  10          HB1       TRP  10   5.005 -10.937  -3.757
   81    HD1  TRP  10           HD1      TRP  10   3.845  -9.916  -0.276
   82    HE1  TRP  10           HE1      TRP  10   1.781 -11.314   0.355
   83    HE3  TRP  10           HE3      TRP  10   2.903 -12.082  -4.817
   84    HZ2  TRP  10           HZ2      TRP  10  -0.026 -13.075  -0.905
   85    HZ3  TRP  10           HZ3      TRP  10   0.981 -13.601  -5.018
   86    HH2  TRP  10           HH2      TRP  10  -0.453 -14.086  -3.103
   87    H    ASN  11           HN       ASN  11   6.305  -9.639   0.266
   88    HA   ASN  11           HA       ASN  11   7.588 -12.239   0.468
   89   1HB   ASN  11          HB2       ASN  11   8.349 -10.132   1.724
   90   2HB   ASN  11          HB1       ASN  11   6.930 -10.361   2.742
   91   1HD2  ASN  11          HD21      ASN  11   6.885 -12.030   4.201
   92   2HD2  ASN  11          HD22      ASN  11   8.278 -12.982   4.585
   93    H    GLU  12           HN       GLU  12   5.984 -13.668   0.049
   94    HA   GLU  12           HA       GLU  12   3.291 -13.311   0.681
   95   1HB   GLU  12          HB2       GLU  12   4.736 -15.869   0.012
   96   2HB   GLU  12          HB1       GLU  12   3.003 -15.591  -0.122
   97   1HG   GLU  12          HG2       GLU  12   3.353 -13.938  -1.838
   98   2HG   GLU  12          HG1       GLU  12   5.101 -14.060  -1.645
   99    H    GLY  13           HN       GLY  13   5.856 -14.828   2.533
  100   1HA   GLY  13          HA2       GLY  13   4.184 -16.432   4.178
  101   2HA   GLY  13          HA1       GLY  13   5.829 -15.933   4.550
  102    H    LYS  14           HN       LYS  14   4.877 -13.070   4.146
  103    HA   LYS  14           HA       LYS  14   3.686 -12.760   6.826
  104   1HB   LYS  14          HB2       LYS  14   5.724 -11.113   5.351
  105   2HB   LYS  14          HB1       LYS  14   4.761 -10.409   6.637
  106   1HG   LYS  14          HG2       LYS  14   6.979 -11.135   7.392
  107   2HG   LYS  14          HG1       LYS  14   5.674 -11.967   8.238
  108   1HD   LYS  14          HD2       LYS  14   6.017 -13.956   6.981
  109   2HD   LYS  14          HD1       LYS  14   7.093 -13.136   5.852
  110   1HE   LYS  14          HE2       LYS  14   8.760 -12.874   7.546
  111   2HE   LYS  14          HE1       LYS  14   7.679 -13.518   8.783
  112   1HZ   LYS  14          HZ1       LYS  14   7.720 -15.649   7.696
  113   2HZ   LYS  14          HZ2       LYS  14   9.319 -15.151   7.986
  114   3HZ   LYS  14          HZ3       LYS  14   8.662 -15.034   6.425
  115    H    ARG  15           HN       ARG  15   2.966 -12.622   3.660
  116    HA   ARG  15           HA       ARG  15   1.458 -11.557   2.321
  117   1HB   ARG  15          HB2       ARG  15   0.218 -10.732   4.954
  118   2HB   ARG  15          HB1       ARG  15  -0.570 -10.678   3.385
  119   1HG   ARG  15          HG2       ARG  15  -0.606 -13.048   3.234
  120   2HG   ARG  15          HG1       ARG  15   0.437 -13.207   4.650
  121   1HD   ARG  15          HD2       ARG  15  -2.349 -12.053   4.627
  122   2HD   ARG  15          HD1       ARG  15  -1.902 -13.656   5.214
  123    HE   ARG  15           HE       ARG  15  -0.364 -11.716   6.544
  124   1HH1  ARG  15          HH11      ARG  15  -3.680 -12.817   6.376
  125   2HH1  ARG  15          HH12      ARG  15  -4.033 -12.410   8.029
  126   1HH2  ARG  15          HH21      ARG  15  -0.802 -11.160   8.685
  127   2HH2  ARG  15          HH22      ARG  15  -2.384 -11.457   9.353
  128    H    ARG  16           HN       ARG  16   3.819 -10.125   2.792
  129    HA   ARG  16           HA       ARG  16   2.781  -7.379   2.854
  130   1HB   ARG  16          HB2       ARG  16   4.409  -6.619   4.327
  131   2HB   ARG  16          HB1       ARG  16   3.951  -8.171   5.000
  132   1HG   ARG  16          HG2       ARG  16   5.947  -9.192   4.081
  133   2HG   ARG  16          HG1       ARG  16   6.399  -7.657   3.330
  134   1HD   ARG  16          HD2       ARG  16   6.362  -6.639   5.624
  135   2HD   ARG  16          HD1       ARG  16   6.174  -8.265   6.274
  136    HE   ARG  16           HE       ARG  16   8.429  -8.177   4.566
  137   1HH1  ARG  16          HH11      ARG  16   7.333  -7.087   7.725
  138   2HH1  ARG  16          HH12      ARG  16   8.939  -6.986   8.378
  139   1HH2  ARG  16          HH21      ARG  16  10.515  -8.057   5.413
  140   2HH2  ARG  16          HH22      ARG  16  10.770  -7.528   7.052
  141    H    PHE  17           HN       PHE  17   4.129  -5.811   1.794
  142    HA   PHE  17           HA       PHE  17   5.737  -6.987  -0.372
  143   1HB   PHE  17          HB2       PHE  17   4.376  -4.285  -0.262
  144   2HB   PHE  17          HB1       PHE  17   5.313  -4.905  -1.611
  145    HD1  PHE  17           HD1      PHE  17   2.142  -4.192  -0.723
  146    HD2  PHE  17           HD2      PHE  17   4.416  -7.489  -2.163
  147    HE1  PHE  17           HE1      PHE  17   0.096  -5.184  -1.662
  148    HE2  PHE  17           HE2      PHE  17   2.374  -8.482  -3.112
  149    HZ   PHE  17           HZ       PHE  17   0.210  -7.264  -2.930
  150    H    GLU  18           HN       GLU  18   7.817  -6.250  -0.678
  151    HA   GLU  18           HA       GLU  18   8.743  -4.066   1.054
  152   1HB   GLU  18          HB2       GLU  18  10.905  -5.863   0.712
  153   2HB   GLU  18          HB1       GLU  18  10.114  -5.391   2.212
  154   1HG   GLU  18          HG2       GLU  18   8.449  -7.209   1.793
  155   2HG   GLU  18          HG1       GLU  18   9.453  -7.719   0.436
  156    H    THR  19           HN       THR  19   9.985  -2.607   0.085
  157    HA   THR  19           HA       THR  19  10.241  -2.588  -2.696
  158    HB   THR  19           HB       THR  19  10.288  -0.538  -1.255
  159    HG1  THR  19           HG1      THR  19  11.979   0.498  -2.518
  160   1HG2  THR  19          HG21      THR  19  13.094  -1.445  -0.629
  161   2HG2  THR  19          HG22      THR  19  11.757  -1.323   0.510
  162   3HG2  THR  19          HG23      THR  19  12.419   0.135  -0.231
  163    H    GLU  20           HN       GLU  20  12.525  -2.206  -3.722
  164    HA   GLU  20           HA       GLU  20  13.903  -4.657  -3.699
  165   1HB   GLU  20          HB2       GLU  20  15.600  -3.399  -5.073
  166   2HB   GLU  20          HB1       GLU  20  13.950  -3.330  -5.668
  167   1HG   GLU  20          HG2       GLU  20  13.664  -1.119  -4.748
  168   2HG   GLU  20          HG1       GLU  20  15.280  -1.180  -4.044
  169    H    ASP  21           HN       ASP  21  13.959  -2.193  -1.544
  170    HA   ASP  21           HA       ASP  21  16.737  -2.590  -0.715
  171   1HB   ASP  21          HB2       ASP  21  16.387  -0.315  -0.973
  172   2HB   ASP  21          HB1       ASP  21  14.719  -0.403  -0.439
  173    H    HIS  22           HN       HIS  22  13.528  -3.356   0.031
  174    HA   HIS  22           HA       HIS  22  12.584  -4.776   1.500
  175   1HB   HIS  22          HB2       HIS  22  15.445  -5.399   2.228
  176   2HB   HIS  22          HB1       HIS  22  14.058  -6.280   2.854
  177    HD1  HIS  22           HD1      HIS  22  12.854  -7.916   1.249
  178    HD2  HIS  22           HD2      HIS  22  16.082  -5.904  -0.453
  179    HE1  HIS  22           HE1      HIS  22  13.354  -9.118  -0.904
  180    HE2  HIS  22           HE2      HIS  22  15.443  -8.019  -1.798
  181    H    GLU  23           HN       GLU  23  14.586  -2.270   2.648
  182    HA   GLU  23           HA       GLU  23  13.882  -2.552   5.420
  183   1HB   GLU  23          HB2       GLU  23  15.052  -0.173   3.964
  184   2HB   GLU  23          HB1       GLU  23  15.026  -0.419   5.706
  185   1HG   GLU  23          HG2       GLU  23  16.463  -2.202   3.741
  186   2HG   GLU  23          HG1       GLU  23  17.215  -0.892   4.664
  187    H    ALA  24           HN       ALA  24  12.672  -0.947   2.611
  188    HA   ALA  24           HA       ALA  24  10.499   0.255   4.164
  189   1HB   ALA  24          HB1       ALA  24  11.187   0.513   1.238
  190   2HB   ALA  24          HB2       ALA  24  11.546   1.693   2.498
  191   3HB   ALA  24          HB3       ALA  24   9.870   1.352   2.061
  192    H    PHE  25           HN       PHE  25   8.529  -0.663   4.213
  193    HA   PHE  25           HA       PHE  25   7.769  -2.633   2.247
  194   1HB   PHE  25          HB2       PHE  25   7.346  -4.385   3.987
  195   2HB   PHE  25          HB1       PHE  25   9.049  -4.088   3.650
  196    HD1  PHE  25           HD1      PHE  25   6.347  -3.741   6.102
  197    HD2  PHE  25           HD2      PHE  25  10.486  -3.104   5.330
  198    HE1  PHE  25           HE1      PHE  25   6.736  -3.374   8.502
  199    HE2  PHE  25           HE2      PHE  25  10.881  -2.741   7.731
  200    HZ   PHE  25           HZ       PHE  25   9.012  -2.887   9.319
  201    H    ILE  26           HN       ILE  26   5.635  -3.493   2.610
  202    HA   ILE  26           HA       ILE  26   3.975  -1.955   4.465
  203    HB   ILE  26           HB       ILE  26   3.914  -1.509   1.719
  204   1HG1  ILE  26          HG12      ILE  26   1.924  -0.993   3.927
  205   2HG1  ILE  26          HG11      ILE  26   3.199   0.068   3.338
  206   1HG2  ILE  26          HG21      ILE  26   2.767  -3.652   1.341
  207   2HG2  ILE  26          HG22      ILE  26   1.739  -2.277   0.941
  208   3HG2  ILE  26          HG23      ILE  26   1.484  -3.157   2.447
  209   1HD1  ILE  26          HD11      ILE  26   1.994   0.283   1.208
  210   2HD1  ILE  26          HD12      ILE  26   1.050   0.846   2.587
  211   3HD1  ILE  26          HD13      ILE  26   0.701  -0.724   1.862
  212    H    GLU  27           HN       GLU  27   2.451  -3.130   5.484
  213    HA   GLU  27           HA       GLU  27   2.475  -6.024   4.938
  214   1HB   GLU  27          HB2       GLU  27   3.199  -5.276   7.188
  215   2HB   GLU  27          HB1       GLU  27   1.642  -4.496   7.423
  216   1HG   GLU  27          HG2       GLU  27   0.584  -6.753   7.167
  217   2HG   GLU  27          HG1       GLU  27   2.209  -7.438   7.191
  218    H    TYR  28           HN       TYR  28   0.376  -7.171   5.034
  219    HA   TYR  28           HA       TYR  28  -1.983  -5.607   5.438
  220   1HB   TYR  28          HB2       TYR  28  -3.024  -5.869   3.288
  221   2HB   TYR  28          HB1       TYR  28  -1.474  -5.084   3.062
  222    HD1  TYR  28           HD1      TYR  28  -3.277  -8.294   2.678
  223    HD2  TYR  28           HD2      TYR  28   0.179  -6.033   1.649
  224    HE1  TYR  28           HE1      TYR  28  -2.663  -9.994   1.012
  225    HE2  TYR  28           HE2      TYR  28   0.796  -7.726  -0.023
  226    HH   TYR  28           HH       TYR  28  -1.332 -10.217  -0.997
  227    H    LYS  29           HN       LYS  29  -3.913  -6.848   5.533
  228    HA   LYS  29           HA       LYS  29  -3.581  -9.758   5.450
  229   1HB   LYS  29          HB2       LYS  29  -4.958  -9.965   7.525
  230   2HB   LYS  29          HB1       LYS  29  -3.368  -9.273   7.802
  231   1HG   LYS  29          HG2       LYS  29  -5.636  -7.411   7.363
  232   2HG   LYS  29          HG1       LYS  29  -5.557  -8.278   8.898
  233   1HD   LYS  29          HD2       LYS  29  -3.299  -6.641   7.744
  234   2HD   LYS  29          HD1       LYS  29  -4.457  -6.040   8.931
  235   1HE   LYS  29          HE2       LYS  29  -3.748  -7.833  10.479
  236   2HE   LYS  29          HE1       LYS  29  -2.546  -8.348   9.296
  237   1HZ   LYS  29          HZ1       LYS  29  -1.815  -6.806  11.187
  238   2HZ   LYS  29          HZ2       LYS  29  -2.575  -5.575  10.304
  239   3HZ   LYS  29          HZ3       LYS  29  -1.289  -6.442   9.617
  240    H    MET  30           HN       MET  30  -5.482 -10.881   4.894
  241    HA   MET  30           HA       MET  30  -7.422  -9.146   3.563
  242   1HB   MET  30          HB2       MET  30  -7.121 -12.164   3.445
  243   2HB   MET  30          HB1       MET  30  -8.181 -11.187   2.440
  244   1HG   MET  30          HG2       MET  30  -6.223 -10.068   1.480
  245   2HG   MET  30          HG1       MET  30  -5.176 -11.091   2.460
  246   1HE   MET  30          HE1       MET  30  -3.836 -11.901   0.341
  247   2HE   MET  30          HE2       MET  30  -4.825 -10.866  -0.688
  248   3HE   MET  30          HE3       MET  30  -4.591 -12.563  -1.109
  249    H    ARG  31           HN       ARG  31  -9.077  -8.535   4.668
  250    HA   ARG  31           HA       ARG  31 -10.060  -9.989   6.991
  251   1HB   ARG  31          HB2       ARG  31 -10.696  -7.297   5.786
  252   2HB   ARG  31          HB1       ARG  31 -11.544  -7.946   7.182
  253   1HG   ARG  31          HG2       ARG  31  -9.657  -7.779   8.543
  254   2HG   ARG  31          HG1       ARG  31  -8.565  -7.624   7.163
  255   1HD   ARG  31          HD2       ARG  31  -9.010  -5.495   8.421
  256   2HD   ARG  31          HD1       ARG  31  -9.326  -5.433   6.690
  257    HE   ARG  31           HE       ARG  31 -11.730  -6.089   7.887
  258   1HH1  ARG  31          HH11      ARG  31  -9.467  -3.410   7.966
  259   2HH1  ARG  31          HH12      ARG  31 -10.700  -2.236   8.353
  260   1HH2  ARG  31          HH21      ARG  31 -13.330  -4.540   8.365
  261   2HH2  ARG  31          HH22      ARG  31 -12.878  -2.876   8.583
  262    H    ASN  32           HN       ASN  32 -12.426 -10.194   7.261
  263    HA   ASN  32           HA       ASN  32 -14.497 -10.897   6.636
  264   1HB   ASN  32          HB2       ASN  32 -14.403  -8.536   5.637
  265   2HB   ASN  32          HB1       ASN  32 -14.112  -9.325   4.090
  266   1HD2  ASN  32          HD21      ASN  32 -16.025  -8.536   3.228
  267   2HD2  ASN  32          HD22      ASN  32 -17.577  -9.151   3.697
  268    H    ASN  33           HN       ASN  33 -12.817 -12.861   6.259
  269    HA   ASN  33           HA       ASN  33 -12.646 -14.889   5.242
  270   1HB   ASN  33          HB2       ASN  33 -15.104 -14.612   4.859
  271   2HB   ASN  33          HB1       ASN  33 -14.739 -13.895   3.295
  272   1HD2  ASN  33          HD21      ASN  33 -15.827 -15.467   2.170
  273   2HD2  ASN  33          HD22      ASN  33 -15.225 -17.084   2.009
  274    H    GLY  34           HN       GLY  34 -11.534 -12.142   4.112
  275   1HA   GLY  34          HA2       GLY  34  -9.508 -12.076   2.855
  276   2HA   GLY  34          HA1       GLY  34 -10.054 -13.478   1.952
  277    H    LYS  35           HN       LYS  35 -12.354 -10.993   2.499
  278    HA   LYS  35           HA       LYS  35 -12.426 -10.460  -0.360
  279   1HB   LYS  35          HB2       LYS  35 -14.280  -9.642   1.881
  280   2HB   LYS  35          HB1       LYS  35 -14.528  -9.228   0.189
  281   1HG   LYS  35          HG2       LYS  35 -14.451 -11.996   1.357
  282   2HG   LYS  35          HG1       LYS  35 -15.888 -11.126   0.810
  283   1HD   LYS  35          HD2       LYS  35 -14.907 -11.022  -1.464
  284   2HD   LYS  35          HD1       LYS  35 -13.561 -12.007  -0.894
  285   1HE   LYS  35          HE2       LYS  35 -15.133 -13.807  -0.334
  286   2HE   LYS  35          HE1       LYS  35 -16.465 -12.818  -0.934
  287   1HZ   LYS  35          HZ1       LYS  35 -15.397 -12.811  -3.120
  288   2HZ   LYS  35          HZ2       LYS  35 -15.761 -14.385  -2.609
  289   3HZ   LYS  35          HZ3       LYS  35 -14.165 -13.816  -2.529
  290    H    VAL  36           HN       VAL  36 -11.361  -8.973   2.540
  291    HA   VAL  36           HA       VAL  36 -10.981  -6.438   1.095
  292    HB   VAL  36           HB       VAL  36 -11.616  -6.860   4.016
  293   1HG1  VAL  36          HG11      VAL  36 -11.515  -4.412   4.229
  294   2HG1  VAL  36          HG12      VAL  36 -10.926  -4.300   2.570
  295   3HG1  VAL  36          HG13      VAL  36  -9.948  -5.101   3.801
  296   1HG2  VAL  36          HG21      VAL  36 -13.594  -5.496   3.518
  297   2HG2  VAL  36          HG22      VAL  36 -13.554  -6.974   2.557
  298   3HG2  VAL  36          HG23      VAL  36 -13.114  -5.431   1.823
  299    H    MET  37           HN       MET  37  -8.912  -5.924   0.797
  300    HA   MET  37           HA       MET  37  -6.863  -7.197   2.432
  301   1HB   MET  37          HB2       MET  37  -6.867  -5.656  -0.138
  302   2HB   MET  37          HB1       MET  37  -5.380  -5.734   0.807
  303   1HG   MET  37          HG2       MET  37  -5.482  -8.187   0.733
  304   2HG   MET  37          HG1       MET  37  -6.945  -8.082  -0.245
  305   1HE   MET  37          HE1       MET  37  -3.161  -6.944  -0.098
  306   2HE   MET  37          HE2       MET  37  -4.028  -5.507  -0.643
  307   3HE   MET  37          HE3       MET  37  -2.936  -6.347  -1.743
  308    H    ASP  38           HN       ASP  38  -6.416  -6.294   4.292
  309    HA   ASP  38           HA       ASP  38  -6.788  -3.437   4.680
  310   1HB   ASP  38          HB2       ASP  38  -7.438  -5.332   6.332
  311   2HB   ASP  38          HB1       ASP  38  -5.724  -5.385   6.721
  312    H    LEU  39           HN       LEU  39  -5.214  -2.212   3.962
  313    HA   LEU  39           HA       LEU  39  -2.498  -3.165   3.747
  314   1HB   LEU  39          HB2       LEU  39  -3.905  -0.623   2.975
  315   2HB   LEU  39          HB1       LEU  39  -2.154  -0.714   2.949
  316    HG   LEU  39           HG       LEU  39  -2.145  -2.296   1.219
  317   1HD1  LEU  39          HD11      LEU  39  -4.134  -3.353   0.298
  318   2HD1  LEU  39          HD12      LEU  39  -5.120  -2.573   1.533
  319   3HD1  LEU  39          HD13      LEU  39  -3.912  -3.772   1.996
  320   1HD2  LEU  39          HD21      LEU  39  -2.601  -0.010   0.520
  321   2HD2  LEU  39          HD22      LEU  39  -4.334  -0.312   0.651
  322   3HD2  LEU  39          HD23      LEU  39  -3.378  -1.171  -0.558
  323    H    VAL  40           HN       VAL  40  -1.354  -3.261   5.541
  324    HA   VAL  40           HA       VAL  40  -1.839  -1.236   7.625
  325    HB   VAL  40           HB       VAL  40  -0.668  -3.994   7.999
  326   1HG1  VAL  40          HG11      VAL  40  -1.189  -3.627  10.354
  327   2HG1  VAL  40          HG12      VAL  40  -1.800  -2.017   9.971
  328   3HG1  VAL  40          HG13      VAL  40  -0.093  -2.391   9.736
  329   1HG2  VAL  40          HG21      VAL  40  -2.843  -4.672   8.861
  330   2HG2  VAL  40          HG22      VAL  40  -2.937  -4.197   7.165
  331   3HG2  VAL  40          HG23      VAL  40  -3.509  -3.099   8.422
  332    H    HIS  41           HN       HIS  41  -0.219   0.192   7.820
  333    HA   HIS  41           HA       HIS  41   1.810   0.884   8.544
  334   1HB   HIS  41          HB2       HIS  41   1.908  -1.224   9.811
  335   2HB   HIS  41          HB1       HIS  41   2.567  -2.038   8.407
  336    HD1  HIS  41           HD1      HIS  41   4.444  -2.652  10.248
  337    HD2  HIS  41           HD2      HIS  41   4.365   1.291   8.904
  338    HE1  HIS  41           HE1      HIS  41   6.661  -1.663  10.902
  339    HE2  HIS  41           HE2      HIS  41   6.473   0.780  10.323
  340    H    THR  42           HN       THR  42   2.015   2.027   6.603
  341    HA   THR  42           HA       THR  42   3.839   0.939   4.631
  342    HB   THR  42           HB       THR  42   2.137   2.508   3.822
  343    HG1  THR  42           HG1      THR  42   3.553   3.260   2.473
  344   1HG2  THR  42          HG21      THR  42   1.775   3.830   5.821
  345   2HG2  THR  42          HG22      THR  42   2.211   4.891   4.481
  346   3HG2  THR  42          HG23      THR  42   3.409   4.488   5.715
  347    H    TYR  43           HN       TYR  43   6.002   0.976   4.950
  348    HA   TYR  43           HA       TYR  43   7.054   3.183   6.546
  349   1HB   TYR  43          HB2       TYR  43   6.759   0.969   7.882
  350   2HB   TYR  43          HB1       TYR  43   8.189   0.447   6.989
  351    HD1  TYR  43           HD1      TYR  43   7.158   3.665   8.546
  352    HD2  TYR  43           HD2      TYR  43  10.088   0.590   8.335
  353    HE1  TYR  43           HE1      TYR  43   8.563   4.919  10.108
  354    HE2  TYR  43           HE2      TYR  43  11.511   1.838   9.912
  355    HH   TYR  43           HH       TYR  43  10.345   4.642  11.617
  356    H    VAL  44           HN       VAL  44   8.914   3.985   5.899
  357    HA   VAL  44           HA       VAL  44  10.621   2.572   4.033
  358    HB   VAL  44           HB       VAL  44   8.992   3.519   2.514
  359   1HG1  VAL  44          HG11      VAL  44   8.093   5.296   3.894
  360   2HG1  VAL  44          HG12      VAL  44   8.626   5.935   2.339
  361   3HG1  VAL  44          HG13      VAL  44   9.616   6.182   3.777
  362   1HG2  VAL  44          HG21      VAL  44  11.297   3.487   1.780
  363   2HG2  VAL  44          HG22      VAL  44  11.562   5.081   2.486
  364   3HG2  VAL  44          HG23      VAL  44  10.459   4.893   1.122
  365    HA   PRO  45           HA       PRO  45  13.469   4.805   6.650
  366   1HB   PRO  45          HB2       PRO  45  15.414   4.063   4.545
  367   2HB   PRO  45          HB1       PRO  45  15.448   3.734   6.280
  368   1HG   PRO  45          HG2       PRO  45  14.903   1.797   4.541
  369   2HG   PRO  45          HG1       PRO  45  14.048   1.895   6.092
  370   1HD   PRO  45          HD2       PRO  45  13.123   2.711   3.362
  371   2HD   PRO  45          HD1       PRO  45  12.230   1.871   4.648
  372    H    SER  46           HN       SER  46  15.290   6.396   6.341
  373    HA   SER  46           HA       SER  46  14.164   8.758   5.584
  374   1HB   SER  46          HB2       SER  46  17.130   8.218   5.729
  375   2HB   SER  46          HB1       SER  46  16.325   9.771   5.966
  376    HG   SER  46           HG       SER  46  15.118   8.350   7.669
  377    H    PHE  47           HN       PHE  47  16.313   6.768   3.598
  378    HA   PHE  47           HA       PHE  47  16.995   8.701   1.700
  379   1HB   PHE  47          HB2       PHE  47  18.036   6.427   1.985
  380   2HB   PHE  47          HB1       PHE  47  16.626   5.759   1.175
  381    HD1  PHE  47           HD1      PHE  47  16.765   5.381  -1.087
  382    HD2  PHE  47           HD2      PHE  47  19.210   8.401   0.650
  383    HE1  PHE  47           HE1      PHE  47  17.832   5.767  -3.270
  384    HE2  PHE  47           HE2      PHE  47  20.280   8.791  -1.529
  385    HZ   PHE  47           HZ       PHE  47  19.593   7.474  -3.493
  386    H    LYS  48           HN       LYS  48  14.102   6.748   1.996
  387    HA   LYS  48           HA       LYS  48  13.203   7.727  -0.638
  388   1HB   LYS  48          HB2       LYS  48  12.637   4.995   0.532
  389   2HB   LYS  48          HB1       LYS  48  12.214   5.564  -1.078
  390   1HG   LYS  48          HG2       LYS  48  14.243   5.121  -1.902
  391   2HG   LYS  48          HG1       LYS  48  15.066   5.757  -0.478
  392   1HD   LYS  48          HD2       LYS  48  13.884   3.007  -0.839
  393   2HD   LYS  48          HD1       LYS  48  15.583   3.427  -0.649
  394   1HE   LYS  48          HE2       LYS  48  14.497   4.513   1.601
  395   2HE   LYS  48          HE1       LYS  48  13.470   3.095   1.360
  396   1HZ   LYS  48          HZ1       LYS  48  15.601   2.859   2.754
  397   2HZ   LYS  48          HZ2       LYS  48  16.414   2.839   1.270
  398   3HZ   LYS  48          HZ3       LYS  48  15.247   1.656   1.618
  399    H    ARG  49           HN       ARG  49  12.688   8.294   2.403
  400    HA   ARG  49           HA       ARG  49  10.076   7.504   3.030
  401   1HB   ARG  49          HB2       ARG  49  10.142   9.313   4.734
  402   2HB   ARG  49          HB1       ARG  49  11.548   8.259   4.771
  403   1HG   ARG  49          HG2       ARG  49  12.814   9.952   3.504
  404   2HG   ARG  49          HG1       ARG  49  11.404  11.019   3.580
  405   1HD   ARG  49          HD2       ARG  49  12.950   9.943   5.936
  406   2HD   ARG  49          HD1       ARG  49  13.047  11.580   5.300
  407    HE   ARG  49           HE       ARG  49  10.370  11.012   5.976
  408   1HH1  ARG  49          HH11      ARG  49  13.493  11.594   7.450
  409   2HH1  ARG  49          HH12      ARG  49  12.829  12.176   8.949
  410   1HH2  ARG  49          HH21      ARG  49   9.483  11.791   7.953
  411   2HH2  ARG  49          HH22      ARG  49  10.547  12.314   9.226
  412    H    GLY  50           HN       GLY  50  11.242  10.538   1.571
  413   1HA   GLY  50          HA2       GLY  50   8.434  11.257   1.035
  414   2HA   GLY  50          HA1       GLY  50   9.790  12.378   1.035
  415    H    LEU  51           HN       LEU  51  10.287   9.340  -0.458
  416    HA   LEU  51           HA       LEU  51  10.665  10.670  -3.008
  417   1HB   LEU  51          HB2       LEU  51  12.276   8.992  -1.990
  418   2HB   LEU  51          HB1       LEU  51  11.081   7.762  -2.356
  419    HG   LEU  51           HG       LEU  51  11.269   8.317  -4.759
  420   1HD1  LEU  51          HD11      LEU  51  13.531  10.099  -3.861
  421   2HD1  LEU  51          HD12      LEU  51  11.989  10.648  -4.517
  422   3HD1  LEU  51          HD13      LEU  51  13.101   9.725  -5.528
  423   1HD2  LEU  51          HD21      LEU  51  13.457   7.299  -5.090
  424   2HD2  LEU  51          HD22      LEU  51  12.586   6.503  -3.779
  425   3HD2  LEU  51          HD23      LEU  51  13.881   7.644  -3.414
  426    H    GLY  52           HN       GLY  52   8.182   8.975  -1.450
  427   1HA   GLY  52          HA2       GLY  52   6.053   8.799  -2.642
  428   2HA   GLY  52          HA1       GLY  52   6.975   8.352  -4.069
  429    H    LEU  53           HN       LEU  53   8.715   6.684  -2.272
  430    HA   LEU  53           HA       LEU  53   7.768   4.233  -3.086
  431   1HB   LEU  53          HB2       LEU  53  10.088   4.881  -2.312
  432   2HB   LEU  53          HB1       LEU  53   9.506   4.680  -0.671
  433    HG   LEU  53           HG       LEU  53  10.823   2.748  -1.758
  434   1HD1  LEU  53          HD11      LEU  53   8.153   2.233  -0.461
  435   2HD1  LEU  53          HD12      LEU  53   9.685   2.517   0.367
  436   3HD1  LEU  53          HD13      LEU  53   9.465   1.064  -0.607
  437   1HD2  LEU  53          HD21      LEU  53   9.623   2.709  -3.873
  438   2HD2  LEU  53          HD22      LEU  53   8.122   2.325  -3.029
  439   3HD2  LEU  53          HD23      LEU  53   9.455   1.168  -3.032
  440    H    ALA  54           HN       ALA  54   7.315   5.757   0.091
  441    HA   ALA  54           HA       ALA  54   6.072   3.711   1.455
  442   1HB   ALA  54          HB1       ALA  54   5.434   6.644   1.545
  443   2HB   ALA  54          HB2       ALA  54   6.682   5.817   2.478
  444   3HB   ALA  54          HB3       ALA  54   4.979   5.461   2.769
  445    H    SER  55           HN       SER  55   4.459   6.239  -0.458
  446    HA   SER  55           HA       SER  55   1.892   5.045  -0.324
  447   1HB   SER  55          HB2       SER  55   3.002   7.098  -2.256
  448   2HB   SER  55          HB1       SER  55   1.295   6.695  -2.076
  449    HG   SER  55           HG       SER  55   3.010   8.001  -0.253
  450    H    HIS  56           HN       HIS  56   4.579   4.816  -2.500
  451    HA   HIS  56           HA       HIS  56   3.524   3.457  -4.675
  452   1HB   HIS  56          HB2       HIS  56   6.021   4.169  -3.705
  453   2HB   HIS  56          HB1       HIS  56   6.095   2.418  -3.743
  454    HD1  HIS  56           HD1      HIS  56   5.540   1.353  -6.231
  455    HD2  HIS  56           HD2      HIS  56   6.465   5.398  -5.998
  456    HE1  HIS  56           HE1      HIS  56   6.180   2.039  -8.568
  457    HE2  HIS  56           HE2      HIS  56   6.978   4.423  -8.345
  458    H    LEU  57           HN       LEU  57   4.606   2.286  -1.545
  459    HA   LEU  57           HA       LEU  57   4.265  -0.475  -1.952
  460   1HB   LEU  57          HB2       LEU  57   3.977   1.123   0.599
  461   2HB   LEU  57          HB1       LEU  57   4.142  -0.619   0.510
  462    HG   LEU  57           HG       LEU  57   6.255   1.266  -0.519
  463   1HD1  LEU  57          HD11      LEU  57   5.900   1.658   1.870
  464   2HD1  LEU  57          HD12      LEU  57   7.447   0.868   1.568
  465   3HD1  LEU  57          HD13      LEU  57   6.083  -0.069   2.179
  466   1HD2  LEU  57          HD21      LEU  57   6.322  -1.654   0.240
  467   2HD2  LEU  57          HD22      LEU  57   7.678  -0.703  -0.366
  468   3HD2  LEU  57          HD23      LEU  57   6.291  -1.019  -1.406
  469    H    CYS  58           HN       CYS  58   2.055   1.969  -0.644
  470    HA   CYS  58           HA       CYS  58  -0.138   0.284  -0.165
  471   1HB   CYS  58          HB2       CYS  58   0.010   2.594   0.684
  472   2HB   CYS  58          HB1       CYS  58  -0.143   3.205  -0.967
  473    HG   CYS  58           HG       CYS  58  -2.736   1.590  -0.979
  474    H    VAL  59           HN       VAL  59   0.844   2.065  -3.049
  475    HA   VAL  59           HA       VAL  59  -1.347   1.452  -4.688
  476    HB   VAL  59           HB       VAL  59   1.538   1.998  -5.395
  477   1HG1  VAL  59          HG11      VAL  59   0.450   0.761  -7.214
  478   2HG1  VAL  59          HG12      VAL  59   0.789   2.430  -7.670
  479   3HG1  VAL  59          HG13      VAL  59  -0.852   1.952  -7.237
  480   1HG2  VAL  59          HG21      VAL  59   0.433   3.838  -4.291
  481   2HG2  VAL  59          HG22      VAL  59  -0.922   3.733  -5.415
  482   3HG2  VAL  59          HG23      VAL  59   0.671   4.219  -5.996
  483    H    ALA  60           HN       ALA  60   1.619  -0.330  -3.997
  484    HA   ALA  60           HA       ALA  60   1.360  -2.340  -5.934
  485   1HB   ALA  60          HB1       ALA  60   3.414  -1.970  -4.648
  486   2HB   ALA  60          HB2       ALA  60   2.881  -3.648  -4.552
  487   3HB   ALA  60          HB3       ALA  60   2.606  -2.556  -3.194
  488    H    ALA  61           HN       ALA  61  -0.088  -2.006  -2.720
  489    HA   ALA  61           HA       ALA  61  -1.197  -4.640  -2.736
  490   1HB   ALA  61          HB1       ALA  61  -2.006  -2.230  -1.118
  491   2HB   ALA  61          HB2       ALA  61  -0.781  -3.414  -0.660
  492   3HB   ALA  61          HB3       ALA  61  -2.469  -3.902  -0.802
  493    H    PHE  62           HN       PHE  62  -2.298  -1.439  -3.736
  494    HA   PHE  62           HA       PHE  62  -4.964  -2.075  -4.340
  495   1HB   PHE  62          HB2       PHE  62  -3.069  -0.078  -5.571
  496   2HB   PHE  62          HB1       PHE  62  -4.734  -0.243  -6.103
  497    HD1  PHE  62           HD1      PHE  62  -6.226  -0.539  -3.658
  498    HD2  PHE  62           HD2      PHE  62  -2.864   1.933  -4.484
  499    HE1  PHE  62           HE1      PHE  62  -6.968   1.044  -1.924
  500    HE2  PHE  62           HE2      PHE  62  -3.600   3.526  -2.752
  501    HZ   PHE  62           HZ       PHE  62  -5.650   3.072  -1.466
  502    H    GLU  63           HN       GLU  63  -2.076  -2.114  -6.375
  503    HA   GLU  63           HA       GLU  63  -3.148  -3.027  -8.752
  504   1HB   GLU  63          HB2       GLU  63  -0.469  -3.678  -7.508
  505   2HB   GLU  63          HB1       GLU  63  -0.880  -3.953  -9.195
  506   1HG   GLU  63          HG2       GLU  63  -1.072  -1.235  -7.964
  507   2HG   GLU  63          HG1       GLU  63   0.450  -1.864  -8.593
  508    H    HIS  64           HN       HIS  64  -2.245  -4.824  -5.882
  509    HA   HIS  64           HA       HIS  64  -2.457  -7.402  -7.095
  510   1HB   HIS  64          HB2       HIS  64  -1.048  -6.921  -5.102
  511   2HB   HIS  64          HB1       HIS  64  -2.513  -6.665  -4.164
  512    HD1  HIS  64           HD1      HIS  64  -3.389  -8.671  -2.987
  513    HD2  HIS  64           HD2      HIS  64  -0.918  -9.695  -6.167
  514    HE1  HIS  64           HE1      HIS  64  -3.140 -11.169  -2.871
  515    HE2  HIS  64           HE2      HIS  64  -1.832 -11.783  -4.936
  516    H    ALA  65           HN       ALA  65  -4.494  -5.574  -4.822
  517    HA   ALA  65           HA       ALA  65  -6.497  -7.564  -4.650
  518   1HB   ALA  65          HB1       ALA  65  -7.831  -5.872  -3.533
  519   2HB   ALA  65          HB2       ALA  65  -6.715  -4.618  -4.073
  520   3HB   ALA  65          HB3       ALA  65  -6.172  -5.852  -2.937
  521    H    SER  66           HN       SER  66  -6.401  -4.466  -6.415
  522    HA   SER  66           HA       SER  66  -8.855  -4.604  -7.670
  523   1HB   SER  66          HB2       SER  66  -7.383  -2.646  -7.805
  524   2HB   SER  66          HB1       SER  66  -6.272  -3.543  -8.839
  525    HG   SER  66           HG       SER  66  -7.439  -2.859 -10.428
  526    H    SER  67           HN       SER  67  -5.818  -6.136  -8.731
  527    HA   SER  67           HA       SER  67  -6.831  -7.067 -11.205
  528   1HB   SER  67          HB2       SER  67  -4.492  -8.054  -9.558
  529   2HB   SER  67          HB1       SER  67  -4.828  -8.544 -11.219
  530    HG   SER  67           HG       SER  67  -3.845  -6.137 -10.220
  531    H    HIS  68           HN       HIS  68  -6.856  -8.419  -7.971
  532    HA   HIS  68           HA       HIS  68  -7.833 -10.985  -8.975
  533   1HB   HIS  68          HB2       HIS  68  -6.048 -10.821  -7.181
  534   2HB   HIS  68          HB1       HIS  68  -7.285 -10.179  -6.111
  535    HD1  HIS  68           HD1      HIS  68  -6.310 -13.351  -7.904
  536    HD2  HIS  68           HD2      HIS  68  -8.942 -12.057  -4.958
  537    HE1  HIS  68           HE1      HIS  68  -7.263 -15.437  -6.880
  538    HE2  HIS  68           HE2      HIS  68  -8.669 -14.622  -4.947
  539    H    SER  69           HN       SER  69  -9.171  -8.106  -8.368
  540    HA   SER  69           HA       SER  69 -11.220  -7.308  -7.841
  541   1HB   SER  69          HB2       SER  69 -12.008  -9.149  -9.359
  542   2HB   SER  69          HB1       SER  69 -12.184 -10.180  -7.940
  543    HG   SER  69           HG       SER  69 -14.162  -9.291  -8.264
  544    H    ILE  70           HN       ILE  70 -10.116  -6.852  -5.821
  545    HA   ILE  70           HA       ILE  70 -11.427  -8.174  -3.549
  546    HB   ILE  70           HB       ILE  70  -8.504  -7.353  -3.592
  547   1HG1  ILE  70          HG12      ILE  70  -9.707 -10.130  -3.612
  548   2HG1  ILE  70          HG11      ILE  70  -8.887  -9.358  -4.967
  549   1HG2  ILE  70          HG21      ILE  70  -9.558  -7.156  -1.392
  550   2HG2  ILE  70          HG22      ILE  70  -8.361  -8.450  -1.427
  551   3HG2  ILE  70          HG23      ILE  70 -10.081  -8.839  -1.494
  552   1HD1  ILE  70          HD11      ILE  70  -6.814  -9.303  -3.675
  553   2HD1  ILE  70          HD12      ILE  70  -7.436 -10.944  -3.844
  554   3HD1  ILE  70          HD13      ILE  70  -7.640 -10.077  -2.321
  555    H    SER  71           HN       SER  71 -11.836  -6.775  -1.779
  556    HA   SER  71           HA       SER  71 -11.699  -3.931  -2.404
  557   1HB   SER  71          HB2       SER  71 -12.936  -5.362  -0.027
  558   2HB   SER  71          HB1       SER  71 -13.131  -3.654  -0.424
  559    HG   SER  71           HG       SER  71 -13.851  -4.789  -2.590
  560    H    ILE  72           HN       ILE  72 -11.004  -2.490  -0.461
  561    HA   ILE  72           HA       ILE  72  -8.726  -3.695   0.946
  562    HB   ILE  72           HB       ILE  72  -8.543  -1.400  -1.028
  563   1HG1  ILE  72          HG12      ILE  72  -7.225  -4.104  -0.818
  564   2HG1  ILE  72          HG11      ILE  72  -8.214  -3.479  -2.138
  565   1HG2  ILE  72          HG21      ILE  72  -7.356  -0.708   0.963
  566   2HG2  ILE  72          HG22      ILE  72  -6.224  -1.071  -0.340
  567   3HG2  ILE  72          HG23      ILE  72  -6.453  -2.225   0.976
  568   1HD1  ILE  72          HD11      ILE  72  -5.460  -2.521  -1.388
  569   2HD1  ILE  72          HD12      ILE  72  -6.453  -1.885  -2.697
  570   3HD1  ILE  72          HD13      ILE  72  -5.875  -3.549  -2.760
  571    H    ILE  73           HN       ILE  73  -7.973  -2.476   2.711
  572    HA   ILE  73           HA       ILE  73  -9.364  -0.005   3.465
  573    HB   ILE  73           HB       ILE  73  -9.118  -2.476   5.202
  574   1HG1  ILE  73          HG12      ILE  73 -11.156  -2.311   3.842
  575   2HG1  ILE  73          HG11      ILE  73 -11.519  -2.163   5.559
  576   1HG2  ILE  73          HG21      ILE  73  -9.722   0.344   6.084
  577   2HG2  ILE  73          HG22      ILE  73  -8.292  -0.607   6.499
  578   3HG2  ILE  73          HG23      ILE  73  -9.882  -1.096   7.091
  579   1HD1  ILE  73          HD11      ILE  73 -12.814  -0.596   4.233
  580   2HD1  ILE  73          HD12      ILE  73 -11.327   0.110   3.599
  581   3HD1  ILE  73          HD13      ILE  73 -11.708   0.250   5.315
  582    HA   PRO  74           HA       PRO  74  -4.983   0.469   4.201
  583   1HB   PRO  74          HB2       PRO  74  -4.928   3.158   3.757
  584   2HB   PRO  74          HB1       PRO  74  -4.972   1.942   2.477
  585   1HG   PRO  74          HG2       PRO  74  -7.036   3.826   3.271
  586   2HG   PRO  74          HG1       PRO  74  -6.987   2.761   1.860
  587   1HD   PRO  74          HD2       PRO  74  -8.376   2.394   4.415
  588   2HD   PRO  74          HD1       PRO  74  -8.605   1.533   2.878
  589    H    SER  75           HN       SER  75  -4.610   0.115   6.370
  590    HA   SER  75           HA       SER  75  -5.050   2.153   8.351
  591   1HB   SER  75          HB2       SER  75  -4.730  -0.248   8.952
  592   2HB   SER  75          HB1       SER  75  -3.073  -0.155   8.357
  593    HG   SER  75           HG       SER  75  -3.995   0.465  10.769
  594    H    CYS  76           HN       CYS  76  -2.809   1.412   5.909
  595    HA   CYS  76           HA       CYS  76  -0.728   3.221   6.472
  596   1HB   CYS  76          HB2       CYS  76  -1.662   2.360   3.730
  597   2HB   CYS  76          HB1       CYS  76  -0.084   2.984   4.179
  598    HG   CYS  76           HG       CYS  76  -1.383  -0.038   5.083
  599    H    SER  77           HN       SER  77  -3.598   4.171   6.673
  600    HA   SER  77           HA       SER  77  -4.490   5.742   4.635
  601   1HB   SER  77          HB2       SER  77  -5.690   6.999   6.520
  602   2HB   SER  77          HB1       SER  77  -5.950   5.259   6.401
  603    HG   SER  77           HG       SER  77  -5.475   5.537   8.496
  604    H    TYR  78           HN       TYR  78  -1.667   6.523   6.478
  605    HA   TYR  78           HA       TYR  78  -1.574   9.292   6.041
  606   1HB   TYR  78          HB2       TYR  78   0.439   8.832   6.980
  607   2HB   TYR  78          HB1       TYR  78   0.370   7.150   6.469
  608    HD1  TYR  78           HD1      TYR  78   1.306  10.568   5.319
  609    HD2  TYR  78           HD2      TYR  78   1.683   6.379   4.673
  610    HE1  TYR  78           HE1      TYR  78   3.056  10.985   3.642
  611    HE2  TYR  78           HE2      TYR  78   3.428   6.781   2.990
  612    HH   TYR  78           HH       TYR  78   4.959   9.787   2.624
  613    H    VAL  79           HN       VAL  79  -0.790   6.567   3.932
  614    HA   VAL  79           HA       VAL  79  -0.268   8.002   1.572
  615    HB   VAL  79           HB       VAL  79  -1.383   5.209   1.906
  616   1HG1  VAL  79          HG11      VAL  79  -1.811   6.105  -0.325
  617   2HG1  VAL  79          HG12      VAL  79  -0.620   4.806  -0.369
  618   3HG1  VAL  79          HG13      VAL  79  -0.098   6.487  -0.505
  619   1HG2  VAL  79          HG21      VAL  79   0.917   4.464   1.549
  620   2HG2  VAL  79          HG22      VAL  79   0.784   5.483   2.982
  621   3HG2  VAL  79          HG23      VAL  79   1.453   6.142   1.489
  622    H    SER  80           HN       SER  80  -3.215   6.435   2.791
  623    HA   SER  80           HA       SER  80  -4.703   6.912   0.445
  624   1HB   SER  80          HB2       SER  80  -6.656   6.239   1.697
  625   2HB   SER  80          HB1       SER  80  -5.302   5.218   2.176
  626    HG   SER  80           HG       SER  80  -6.827   6.817   3.688
  627    H    ASP  81           HN       ASP  81  -4.144   8.845   3.278
  628    HA   ASP  81           HA       ASP  81  -6.238  10.694   2.943
  629   1HB   ASP  81          HB2       ASP  81  -5.204  10.629   5.069
  630   2HB   ASP  81          HB1       ASP  81  -3.595  10.824   4.385
  631    H    THR  82           HN       THR  82  -2.808  10.917   2.029
  632    HA   THR  82           HA       THR  82  -3.371  13.359   0.554
  633    HB   THR  82           HB       THR  82  -1.346  13.390   1.844
  634    HG1  THR  82           HG1      THR  82  -1.046  14.593   0.052
  635   1HG2  THR  82          HG21      THR  82  -0.434  11.023   0.199
  636   2HG2  THR  82          HG22      THR  82  -0.841  11.002   1.914
  637   3HG2  THR  82          HG23      THR  82   0.560  11.915   1.351
  638    H    PHE  83           HN       PHE  83  -2.174  10.101  -0.165
  639    HA   PHE  83           HA       PHE  83  -1.611  10.696  -2.894
  640   1HB   PHE  83          HB2       PHE  83  -0.642   8.905  -1.234
  641   2HB   PHE  83          HB1       PHE  83  -1.917   7.906  -1.911
  642    HD1  PHE  83           HD1      PHE  83  -1.298   6.529  -3.616
  643    HD2  PHE  83           HD2      PHE  83   0.660  10.282  -3.198
  644    HE1  PHE  83           HE1      PHE  83   0.121   5.998  -5.553
  645    HE2  PHE  83           HE2      PHE  83   2.090   9.756  -5.130
  646    HZ   PHE  83           HZ       PHE  83   1.819   7.629  -6.317
  647    H    LEU  84           HN       LEU  84  -4.361   9.243  -1.251
  648    HA   LEU  84           HA       LEU  84  -5.379   8.140  -3.698
  649   1HB   LEU  84          HB2       LEU  84  -6.336   8.194  -0.899
  650   2HB   LEU  84          HB1       LEU  84  -7.491   7.839  -2.173
  651    HG   LEU  84           HG       LEU  84  -4.899   6.344  -1.745
  652   1HD1  LEU  84          HD11      LEU  84  -7.722   5.570  -1.049
  653   2HD1  LEU  84          HD12      LEU  84  -6.426   5.932   0.089
  654   3HD1  LEU  84          HD13      LEU  84  -6.312   4.514  -0.955
  655   1HD2  LEU  84          HD21      LEU  84  -5.667   6.347  -4.060
  656   2HD2  LEU  84          HD22      LEU  84  -7.256   5.785  -3.540
  657   3HD2  LEU  84          HD23      LEU  84  -5.845   4.749  -3.333
  658    HA   PRO  85           HA       PRO  85  -8.234  12.075  -3.718
  659   1HB   PRO  85          HB2       PRO  85  -6.162  13.938  -2.697
  660   2HB   PRO  85          HB1       PRO  85  -7.917  13.983  -2.486
  661   1HG   PRO  85          HG2       PRO  85  -6.306  13.277  -0.486
  662   2HG   PRO  85          HG1       PRO  85  -7.876  12.493  -0.728
  663   1HD   PRO  85          HD2       PRO  85  -5.132  11.473  -1.358
  664   2HD   PRO  85          HD1       PRO  85  -6.555  10.604  -0.742
  665    H    ARG  86           HN       ARG  86  -4.757  11.847  -3.876
  666    HA   ARG  86           HA       ARG  86  -4.428  13.374  -6.274
  667   1HB   ARG  86          HB2       ARG  86  -2.613  13.161  -4.689
  668   2HB   ARG  86          HB1       ARG  86  -2.645  11.409  -4.825
  669   1HG   ARG  86          HG2       ARG  86  -1.866  11.565  -7.126
  670   2HG   ARG  86          HG1       ARG  86  -1.858  13.329  -7.009
  671   1HD   ARG  86          HD2       ARG  86  -0.169  13.276  -5.320
  672   2HD   ARG  86          HD1       ARG  86  -0.291  11.523  -5.179
  673    HE   ARG  86           HE       ARG  86   0.479  11.643  -7.667
  674   1HH1  ARG  86          HH11      ARG  86   1.517  13.706  -5.044
  675   2HH1  ARG  86          HH12      ARG  86   3.117  13.947  -5.685
  676   1HH2  ARG  86          HH21      ARG  86   2.583  11.945  -8.526
  677   2HH2  ARG  86          HH22      ARG  86   3.725  12.938  -7.667
  678    H    ASN  87           HN       ASN  87  -5.030  10.026  -5.499
  679    HA   ASN  87           HA       ASN  87  -5.400   9.439  -8.351
  680   1HB   ASN  87          HB2       ASN  87  -3.916   7.671  -6.385
  681   2HB   ASN  87          HB1       ASN  87  -4.424   7.164  -7.991
  682   1HD2  ASN  87          HD21      ASN  87  -2.216   9.100  -6.159
  683   2HD2  ASN  87          HD22      ASN  87  -1.122   9.440  -7.460
  684    HA   PRO  88           HA       PRO  88  -8.917   8.140  -5.591
  685   1HB   PRO  88          HB2       PRO  88 -10.663   9.488  -7.484
  686   2HB   PRO  88          HB1       PRO  88 -10.412   9.832  -5.772
  687   1HG   PRO  88          HG2       PRO  88  -9.594  11.504  -7.741
  688   2HG   PRO  88          HG1       PRO  88  -8.749  11.356  -6.188
  689   1HD   PRO  88          HD2       PRO  88  -8.078  10.115  -8.837
  690   2HD   PRO  88          HD1       PRO  88  -7.000  10.892  -7.655
  691    H    SER  89           HN       SER  89  -7.687   6.515  -7.597
  692    HA   SER  89           HA       SER  89  -9.924   5.623  -9.280
  693   1HB   SER  89          HB2       SER  89  -6.989   4.882  -9.415
  694   2HB   SER  89          HB1       SER  89  -8.230   4.426 -10.582
  695    HG   SER  89           HG       SER  89  -6.769   6.438 -10.861
  696    H    TRP  90           HN       TRP  90  -8.692   4.956  -6.313
  697    HA   TRP  90           HA       TRP  90  -9.042   2.043  -6.604
  698   1HB   TRP  90          HB2       TRP  90  -7.492   3.452  -4.434
  699   2HB   TRP  90          HB1       TRP  90  -7.471   1.738  -4.832
  700    HD1  TRP  90           HD1      TRP  90  -5.585   4.842  -5.440
  701    HE1  TRP  90           HE1      TRP  90  -3.872   4.526  -7.331
  702    HE3  TRP  90           HE3      TRP  90  -7.283   0.410  -7.336
  703    HZ2  TRP  90           HZ2      TRP  90  -3.316   2.649  -9.363
  704    HZ3  TRP  90           HZ3      TRP  90  -6.106  -0.576  -9.259
  705    HH2  TRP  90           HH2      TRP  90  -4.163   0.523 -10.250
  706    H    LYS  91           HN       LYS  91 -10.719   4.577  -5.794
  707    HA   LYS  91           HA       LYS  91 -11.780   4.164  -3.263
  708   1HB   LYS  91          HB2       LYS  91 -12.192   6.160  -4.673
  709   2HB   LYS  91          HB1       LYS  91 -13.235   5.190  -5.704
  710   1HG   LYS  91          HG2       LYS  91 -14.776   4.833  -3.894
  711   2HG   LYS  91          HG1       LYS  91 -13.700   5.663  -2.770
  712   1HD   LYS  91          HD2       LYS  91 -15.438   7.176  -3.384
  713   2HD   LYS  91          HD1       LYS  91 -13.951   7.715  -4.165
  714   1HE   LYS  91          HE2       LYS  91 -15.791   7.871  -5.707
  715   2HE   LYS  91          HE1       LYS  91 -14.672   6.616  -6.242
  716   1HZ   LYS  91          HZ1       LYS  91 -16.194   4.978  -5.148
  717   2HZ   LYS  91          HZ2       LYS  91 -16.864   5.774  -6.483
  718   3HZ   LYS  91          HZ3       LYS  91 -17.303   6.242  -4.911
  719    HA   PRO  92           HA       PRO  92 -14.984   1.114  -5.527
  720   1HB   PRO  92          HB2       PRO  92 -13.568  -0.481  -7.294
  721   2HB   PRO  92          HB1       PRO  92 -14.687   0.808  -7.750
  722   1HG   PRO  92          HG2       PRO  92 -11.706   0.882  -7.507
  723   2HG   PRO  92          HG1       PRO  92 -12.750   1.606  -8.747
  724   1HD   PRO  92          HD2       PRO  92 -11.723   3.111  -6.821
  725   2HD   PRO  92          HD1       PRO  92 -13.404   3.354  -7.343
  726    H    LEU  93           HN       LEU  93 -11.664   0.692  -4.666
  727    HA   LEU  93           HA       LEU  93 -12.075  -2.077  -3.841
  728   1HB   LEU  93          HB2       LEU  93  -9.622  -0.374  -3.431
  729   2HB   LEU  93          HB1       LEU  93  -9.728  -2.126  -3.425
  730    HG   LEU  93           HG       LEU  93 -10.226  -0.410  -5.849
  731   1HD1  LEU  93          HD11      LEU  93  -7.760  -1.975  -5.062
  732   2HD1  LEU  93          HD12      LEU  93  -7.898  -0.217  -5.118
  733   3HD1  LEU  93          HD13      LEU  93  -8.014  -1.158  -6.605
  734   1HD2  LEU  93          HD21      LEU  93 -11.349  -2.553  -5.948
  735   2HD2  LEU  93          HD22      LEU  93  -9.863  -3.388  -5.491
  736   3HD2  LEU  93          HD23      LEU  93  -9.968  -2.559  -7.045
  737    H    ILE  94           HN       ILE  94 -11.138   1.024  -2.446
  738    HA   ILE  94           HA       ILE  94 -11.591  -0.014   0.248
  739    HB   ILE  94           HB       ILE  94 -10.539   2.029   1.040
  740   1HG1  ILE  94          HG12      ILE  94 -10.174   2.839  -1.849
  741   2HG1  ILE  94          HG11      ILE  94 -11.444   3.489  -0.813
  742   1HG2  ILE  94          HG21      ILE  94  -8.300   1.748   0.053
  743   2HG2  ILE  94          HG22      ILE  94  -9.008   0.756  -1.222
  744   3HG2  ILE  94          HG23      ILE  94  -9.061   0.208   0.454
  745   1HD1  ILE  94          HD11      ILE  94  -8.498   3.672  -0.261
  746   2HD1  ILE  94          HD12      ILE  94  -9.797   4.396   0.689
  747   3HD1  ILE  94          HD13      ILE  94  -9.490   4.956  -0.956
  748    H    HIS  95           HN       HIS  95 -12.171   2.529   1.391
  749    HA   HIS  95           HA       HIS  95 -14.906   2.969   0.540
  750   1HB   HIS  95          HB2       HIS  95 -13.221   4.149   2.752
  751   2HB   HIS  95          HB1       HIS  95 -14.898   4.623   2.443
  752    HD1  HIS  95           HD1      HIS  95 -16.385   2.078   2.154
  753    HD2  HIS  95           HD2      HIS  95 -13.225   2.458   4.828
  754    HE1  HIS  95           HE1      HIS  95 -16.709   0.256   3.845
  755    HE2  HIS  95           HE2      HIS  95 -14.897   0.630   5.554
  756    H    SER  96           HN       SER  96 -12.335   5.268   1.376
  757    HA   SER  96           HA       SER  96 -11.655   6.256  -1.095
  758   1HB   SER  96          HB2       SER  96 -12.970   8.478  -1.001
  759   2HB   SER  96          HB1       SER  96 -13.832   7.056  -1.599
  760    HG   SER  96           HG       SER  96 -13.925   7.671   1.142
  761    H    GLU  97           HN       GLU  97  -9.704   6.945  -0.401
  762    HA   GLU  97           HA       GLU  97  -8.131   8.270   0.539
  763   1HB   GLU  97          HB2       GLU  97  -9.865  10.004  -0.068
  764   2HB   GLU  97          HB1       GLU  97 -10.445   9.904   1.587
  765   1HG   GLU  97          HG2       GLU  97  -7.992  10.477   2.201
  766   2HG   GLU  97          HG1       GLU  97  -7.903  11.046   0.532
  767    H    VAL  98           HN       VAL  98  -8.695   9.735   3.124
  768    HA   VAL  98           HA       VAL  98  -8.281   7.434   4.858
  769    HB   VAL  98           HB       VAL  98  -6.650   9.240   4.987
  770   1HG1  VAL  98          HG11      VAL  98  -8.931  10.955   5.958
  771   2HG1  VAL  98          HG12      VAL  98  -8.073  11.125   4.426
  772   3HG1  VAL  98          HG13      VAL  98  -7.227  11.414   5.945
  773   1HG2  VAL  98          HG21      VAL  98  -8.301   8.964   7.495
  774   2HG2  VAL  98          HG22      VAL  98  -6.636   9.543   7.423
  775   3HG2  VAL  98          HG23      VAL  98  -7.013   7.882   6.963
  776    H    PHE  99           HN       PHE  99 -10.538  10.179   4.538
  777    HA   PHE  99           HA       PHE  99 -12.622   8.827   5.847
  778   1HB   PHE  99          HB2       PHE  99 -12.811  10.256   7.894
  779   2HB   PHE  99          HB1       PHE  99 -11.461   9.136   7.904
  780    HD1  PHE  99           HD1      PHE  99  -9.482   9.951   8.783
  781    HD2  PHE  99           HD2      PHE  99 -12.137  12.648   6.833
  782    HE1  PHE  99           HE1      PHE  99  -7.954  11.812   9.278
  783    HE2  PHE  99           HE2      PHE  99 -10.614  14.511   7.336
  784    HZ   PHE  99           HZ       PHE  99  -8.527  14.065   8.682
  785    H    LYS 100           HN       LYS 100 -11.742  10.836   3.679
  786    HA   LYS 100           HA       LYS 100 -13.339  13.146   3.863
  787   1HB   LYS 100          HB2       LYS 100 -13.237  13.172   1.401
  788   2HB   LYS 100          HB1       LYS 100 -11.658  12.800   2.086
  789   1HG   LYS 100          HG2       LYS 100 -11.574  10.843   1.042
  790   2HG   LYS 100          HG1       LYS 100 -13.169  10.389   1.636
  791   1HD   LYS 100          HD2       LYS 100 -13.674  10.417  -0.564
  792   2HD   LYS 100          HD1       LYS 100 -13.883  12.148  -0.251
  793   1HE   LYS 100          HE2       LYS 100 -11.355  10.857  -1.279
  794   2HE   LYS 100          HE1       LYS 100 -12.530  11.719  -2.267
  795   1HZ   LYS 100          HZ1       LYS 100 -10.736  13.180  -1.781
  796   2HZ   LYS 100          HZ2       LYS 100 -10.817  12.861  -0.117
  797   3HZ   LYS 100          HZ3       LYS 100 -12.074  13.713  -0.885
  798    H    SER 101           HN       SER 101 -14.028   9.865   3.402
  799    HA   SER 101           HA       SER 101 -16.835  10.058   3.359
  800   1HB   SER 101          HB2       SER 101 -16.483  10.873   1.083
  801   2HB   SER 101          HB1       SER 101 -15.399   9.523   0.746
  802    HG   SER 101           HG       SER 101 -18.158   9.638   0.749
  803    H    SER 102           HN       SER 102 -17.749   7.928   3.378
  804    HA   SER 102           HA       SER 102 -16.295   5.559   3.081
  805   1HB   SER 102          HB2       SER 102 -14.969   6.445   4.985
  806   2HB   SER 102          HB1       SER 102 -16.437   6.499   5.962
  807    HG   SER 102           HG       SER 102 -16.310   4.417   6.267
  808    H    ILE 103           HN       ILE 103 -17.623   3.872   3.144
  809    HA   ILE 103           HA       ILE 103 -19.924   3.775   4.844
  810    HB   ILE 103           HB       ILE 103 -20.813   5.113   2.994
  811   1HG1  ILE 103          HG12      ILE 103 -22.182   3.277   4.178
  812   2HG1  ILE 103          HG11      ILE 103 -22.832   3.974   2.702
  813   1HG2  ILE 103          HG21      ILE 103 -19.404   4.490   1.183
  814   2HG2  ILE 103          HG22      ILE 103 -21.069   4.120   0.735
  815   3HG2  ILE 103          HG23      ILE 103 -19.982   2.825   1.235
  816   1HD1  ILE 103          HD11      ILE 103 -21.420   1.323   2.934
  817   2HD1  ILE 103          HD12      ILE 103 -22.069   2.018   1.448
  818   3HD1  ILE 103          HD13      ILE 103 -23.158   1.572   2.762
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  15.807  15.335 -10.436
    2   2H    MET   1           HT2      MET   1  16.320  13.842  -9.819
    3   3H    MET   1           HT3      MET   1  15.853  15.079  -8.758
    4    HA   MET   1           HA       MET   1  14.134  13.428  -8.912
    5   1HB   MET   1          HB2       MET   1  13.527  16.080 -10.222
    6   2HB   MET   1          HB1       MET   1  12.274  14.925  -9.798
    7   1HG   MET   1          HG2       MET   1  12.412  16.588  -8.091
    8   2HG   MET   1          HG1       MET   1  12.998  15.060  -7.443
    9   1HE   MET   1          HE1       MET   1  15.160  17.735  -5.555
   10   2HE   MET   1          HE2       MET   1  14.041  16.382  -5.384
   11   3HE   MET   1          HE3       MET   1  13.481  17.912  -6.061
   12    H    ALA   2           HN       ALA   2  14.454  11.658 -10.201
   13    HA   ALA   2           HA       ALA   2  13.586  11.962 -13.007
   14   1HB   ALA   2          HB1       ALA   2  14.934  10.016 -13.559
   15   2HB   ALA   2          HB2       ALA   2  15.418   9.850 -11.873
   16   3HB   ALA   2          HB3       ALA   2  15.935  11.256 -12.803
   17    H    THR   3           HN       THR   3  13.081  10.459  -9.971
   18    HA   THR   3           HA       THR   3  11.497   9.066  -9.147
   19    HB   THR   3           HB       THR   3  10.016   9.272 -11.769
   20    HG1  THR   3           HG1      THR   3   9.881  11.344 -11.367
   21   1HG2  THR   3          HG21      THR   3   9.092   8.935  -8.910
   22   2HG2  THR   3          HG22      THR   3   9.145   7.667 -10.134
   23   3HG2  THR   3          HG23      THR   3   8.045   9.031 -10.325
   24    H    GLU   4           HN       GLU   4  13.129   7.436  -9.234
   25    HA   GLU   4           HA       GLU   4  13.372   5.675 -11.468
   26   1HB   GLU   4          HB2       GLU   4  15.107   6.203  -9.625
   27   2HB   GLU   4          HB1       GLU   4  14.226   5.033  -8.654
   28   1HG   GLU   4          HG2       GLU   4  16.052   3.898  -9.629
   29   2HG   GLU   4          HG1       GLU   4  14.603   3.368 -10.484
   30    HA   PRO   5           HA       PRO   5   9.775   3.163 -10.552
   31   1HB   PRO   5          HB2       PRO   5  11.165   1.188 -12.257
   32   2HB   PRO   5          HB1       PRO   5   9.558   1.896 -12.441
   33   1HG   PRO   5          HG2       PRO   5  11.570   2.602 -14.049
   34   2HG   PRO   5          HG1       PRO   5  10.364   3.783 -13.506
   35   1HD   PRO   5          HD2       PRO   5  13.157   3.341 -12.529
   36   2HD   PRO   5          HD1       PRO   5  12.288   4.865 -12.804
   37    HA   PRO   6           HA       PRO   6  11.935   0.913  -7.303
   38   1HB   PRO   6          HB2       PRO   6   9.269   0.512  -6.179
   39   2HB   PRO   6          HB1       PRO   6  10.630   1.425  -5.527
   40   1HG   PRO   6          HG2       PRO   6   8.384   2.623  -6.443
   41   2HG   PRO   6          HG1       PRO   6   9.984   3.381  -6.554
   42   1HD   PRO   6          HD2       PRO   6   8.419   1.938  -8.663
   43   2HD   PRO   6          HD1       PRO   6   9.366   3.439  -8.792
   44    H    LYS   7           HN       LYS   7  11.906  -1.230  -6.432
   45    HA   LYS   7           HA       LYS   7  10.498  -3.169  -8.146
   46   1HB   LYS   7          HB2       LYS   7  13.180  -3.495  -6.778
   47   2HB   LYS   7          HB1       LYS   7  12.382  -4.703  -7.762
   48   1HG   LYS   7          HG2       LYS   7  13.207  -2.033  -8.850
   49   2HG   LYS   7          HG1       LYS   7  14.283  -3.427  -8.828
   50   1HD   LYS   7          HD2       LYS   7  13.365  -3.529 -10.949
   51   2HD   LYS   7          HD1       LYS   7  12.342  -4.638 -10.037
   52   1HE   LYS   7          HE2       LYS   7  10.675  -2.860  -9.765
   53   2HE   LYS   7          HE1       LYS   7  11.699  -1.764 -10.691
   54   1HZ   LYS   7          HZ1       LYS   7  10.420  -4.253 -11.681
   55   2HZ   LYS   7          HZ2       LYS   7  11.514  -3.320 -12.576
   56   3HZ   LYS   7          HZ3       LYS   7  10.018  -2.662 -12.116
   57    H    ILE   8           HN       ILE   8   8.765  -3.630  -6.864
   58    HA   ILE   8           HA       ILE   8   9.248  -3.861  -3.997
   59    HB   ILE   8           HB       ILE   8   6.541  -3.950  -5.319
   60   1HG1  ILE   8          HG12      ILE   8   7.797  -1.897  -6.035
   61   2HG1  ILE   8          HG11      ILE   8   6.352  -1.551  -5.088
   62   1HG2  ILE   8          HG21      ILE   8   6.618  -4.647  -3.005
   63   2HG2  ILE   8          HG22      ILE   8   5.820  -3.078  -3.120
   64   3HG2  ILE   8          HG23      ILE   8   7.492  -3.180  -2.561
   65   1HD1  ILE   8          HD11      ILE   8   8.199  -0.115  -4.452
   66   2HD1  ILE   8          HD12      ILE   8   9.186  -1.528  -4.073
   67   3HD1  ILE   8          HD13      ILE   8   7.744  -1.176  -3.119
   68    H    VAL   9           HN       VAL   9   9.467  -5.803  -3.091
   69    HA   VAL   9           HA       VAL   9   8.672  -8.163  -4.663
   70    HB   VAL   9           HB       VAL   9  10.528  -8.041  -2.281
   71   1HG1  VAL   9          HG11      VAL   9  10.029 -10.223  -4.308
   72   2HG1  VAL   9          HG12      VAL   9   9.520 -10.236  -2.620
   73   3HG1  VAL   9          HG13      VAL   9  11.236 -10.272  -3.024
   74   1HG2  VAL   9          HG21      VAL   9  11.167  -8.099  -5.220
   75   2HG2  VAL   9          HG22      VAL   9  12.345  -8.255  -3.916
   76   3HG2  VAL   9          HG23      VAL   9  11.438  -6.754  -4.115
   77    H    TRP  10           HN       TRP  10   7.153  -9.533  -3.930
   78    HA   TRP  10           HA       TRP  10   5.742  -8.779  -1.529
   79   1HB   TRP  10          HB2       TRP  10   4.454  -9.469  -3.477
   80   2HB   TRP  10          HB1       TRP  10   5.239 -11.049  -3.461
   81    HD1  TRP  10           HD1      TRP  10   3.858  -9.266  -0.338
   82    HE1  TRP  10           HE1      TRP  10   2.021 -10.717   0.700
   83    HE3  TRP  10           HE3      TRP  10   3.579 -12.887  -3.939
   84    HZ2  TRP  10           HZ2      TRP  10   0.607 -13.090   0.059
   85    HZ3  TRP  10           HZ3      TRP  10   1.954 -14.710  -3.648
   86    HH2  TRP  10           HH2      TRP  10   0.500 -14.808  -1.690
   87    H    ASN  11           HN       ASN  11   6.684  -9.277   0.305
   88    HA   ASN  11           HA       ASN  11   8.067 -11.798   0.682
   89   1HB   ASN  11          HB2       ASN  11   8.757  -9.528   1.717
   90   2HB   ASN  11          HB1       ASN  11   7.434  -9.793   2.846
   91   1HD2  ASN  11          HD21      ASN  11   7.600 -11.438   4.374
   92   2HD2  ASN  11          HD22      ASN  11   9.101 -12.213   4.730
   93    H    GLU  12           HN       GLU  12   6.230 -13.066   0.199
   94    HA   GLU  12           HA       GLU  12   3.724 -12.945   1.322
   95   1HB   GLU  12          HB2       GLU  12   3.600 -15.403   0.743
   96   2HB   GLU  12          HB1       GLU  12   4.055 -14.323  -0.568
   97   1HG   GLU  12          HG2       GLU  12   6.440 -14.908  -0.118
   98   2HG   GLU  12          HG1       GLU  12   5.864 -16.115   1.033
   99    H    GLY  13           HN       GLY  13   6.635 -14.370   2.684
  100   1HA   GLY  13          HA2       GLY  13   5.397 -15.931   4.688
  101   2HA   GLY  13          HA1       GLY  13   7.046 -15.328   4.734
  102    H    LYS  14           HN       LYS  14   5.794 -12.540   4.407
  103    HA   LYS  14           HA       LYS  14   5.095 -12.178   7.246
  104   1HB   LYS  14          HB2       LYS  14   6.940 -10.705   5.461
  105   2HB   LYS  14          HB1       LYS  14   5.939  -9.715   6.507
  106   1HG   LYS  14          HG2       LYS  14   8.093 -10.147   7.517
  107   2HG   LYS  14          HG1       LYS  14   6.809 -10.878   8.464
  108   1HD   LYS  14          HD2       LYS  14   7.865 -12.710   6.489
  109   2HD   LYS  14          HD1       LYS  14   9.129 -12.104   7.564
  110   1HE   LYS  14          HE2       LYS  14   6.513 -13.262   8.481
  111   2HE   LYS  14          HE1       LYS  14   8.018 -14.174   8.388
  112   1HZ   LYS  14          HZ1       LYS  14   7.568 -11.757  10.067
  113   2HZ   LYS  14          HZ2       LYS  14   8.990 -12.678  10.009
  114   3HZ   LYS  14          HZ3       LYS  14   7.566 -13.358  10.632
  115    H    ARG  15           HN       ARG  15   3.650 -12.388   4.422
  116    HA   ARG  15           HA       ARG  15   1.688 -11.644   3.528
  117   1HB   ARG  15          HB2       ARG  15   1.372 -10.416   6.274
  118   2HB   ARG  15          HB1       ARG  15   0.104 -10.470   5.061
  119   1HG   ARG  15          HG2       ARG  15   1.407 -13.000   5.915
  120   2HG   ARG  15          HG1       ARG  15   0.213 -12.239   6.969
  121   1HD   ARG  15          HD2       ARG  15  -1.263 -12.150   4.851
  122   2HD   ARG  15          HD1       ARG  15  -0.142 -13.349   4.205
  123    HE   ARG  15           HE       ARG  15  -0.846 -14.338   6.652
  124   1HH1  ARG  15          HH11      ARG  15  -2.648 -13.351   3.799
  125   2HH1  ARG  15          HH12      ARG  15  -3.977 -14.428   4.121
  126   1HH2  ARG  15          HH21      ARG  15  -2.580 -15.756   7.057
  127   2HH2  ARG  15          HH22      ARG  15  -3.935 -15.797   5.973
  128    H    ARG  16           HN       ARG  16   4.131  -9.927   3.243
  129    HA   ARG  16           HA       ARG  16   2.747  -7.379   2.837
  130   1HB   ARG  16          HB2       ARG  16   4.446  -6.104   3.896
  131   2HB   ARG  16          HB1       ARG  16   3.853  -7.287   5.029
  132   1HG   ARG  16          HG2       ARG  16   5.835  -8.691   4.530
  133   2HG   ARG  16          HG1       ARG  16   6.431  -7.391   3.494
  134   1HD   ARG  16          HD2       ARG  16   6.195  -5.885   5.537
  135   2HD   ARG  16          HD1       ARG  16   6.028  -7.371   6.469
  136    HE   ARG  16           HE       ARG  16   8.387  -6.967   4.763
  137   1HH1  ARG  16          HH11      ARG  16   6.973  -7.461   7.937
  138   2HH1  ARG  16          HH12      ARG  16   8.515  -7.662   8.721
  139   1HH2  ARG  16          HH21      ARG  16  10.393  -7.221   5.773
  140   2HH2  ARG  16          HH22      ARG  16  10.461  -7.526   7.488
  141    H    PHE  17           HN       PHE  17   4.252  -5.746   1.852
  142    HA   PHE  17           HA       PHE  17   5.854  -7.024  -0.285
  143   1HB   PHE  17          HB2       PHE  17   4.559  -4.290  -0.341
  144   2HB   PHE  17          HB1       PHE  17   5.455  -5.042  -1.651
  145    HD1  PHE  17           HD1      PHE  17   2.284  -4.326  -0.420
  146    HD2  PHE  17           HD2      PHE  17   4.481  -7.399  -2.389
  147    HE1  PHE  17           HE1      PHE  17   0.189  -5.261  -1.306
  148    HE2  PHE  17           HE2      PHE  17   2.386  -8.333  -3.279
  149    HZ   PHE  17           HZ       PHE  17   0.237  -7.263  -2.739
  150    H    GLU  18           HN       GLU  18   7.927  -6.309  -0.605
  151    HA   GLU  18           HA       GLU  18   8.929  -4.213   1.206
  152   1HB   GLU  18          HB2       GLU  18   9.462  -6.844   1.546
  153   2HB   GLU  18          HB1       GLU  18  10.743  -6.418   0.427
  154   1HG   GLU  18          HG2       GLU  18  11.702  -4.900   1.928
  155   2HG   GLU  18          HG1       GLU  18  10.265  -4.878   2.953
  156    H    THR  19           HN       THR  19   9.906  -2.609   0.194
  157    HA   THR  19           HA       THR  19  10.134  -2.638  -2.651
  158    HB   THR  19           HB       THR  19   9.673  -0.578  -1.288
  159    HG1  THR  19           HG1      THR  19  10.307  -0.108  -3.326
  160   1HG2  THR  19          HG21      THR  19  12.621  -0.668  -0.686
  161   2HG2  THR  19          HG22      THR  19  11.339  -0.995   0.478
  162   3HG2  THR  19          HG23      THR  19  11.484   0.609  -0.247
  163    H    GLU  20           HN       GLU  20  12.265  -1.829  -3.641
  164    HA   GLU  20           HA       GLU  20  14.175  -3.863  -3.534
  165   1HB   GLU  20          HB2       GLU  20  15.493  -2.388  -4.995
  166   2HB   GLU  20          HB1       GLU  20  13.801  -2.444  -5.485
  167   1HG   GLU  20          HG2       GLU  20  13.405  -0.323  -4.320
  168   2HG   GLU  20          HG1       GLU  20  15.114  -0.254  -3.890
  169    H    ASP  21           HN       ASP  21  13.667  -1.337  -1.451
  170    HA   ASP  21           HA       ASP  21  16.456  -0.948  -0.707
  171   1HB   ASP  21          HB2       ASP  21  14.431   0.810  -0.836
  172   2HB   ASP  21          HB1       ASP  21  14.208   0.274   0.824
  173    H    HIS  22           HN       HIS  22  13.596  -2.601   0.231
  174    HA   HIS  22           HA       HIS  22  13.042  -4.035   1.873
  175   1HB   HIS  22          HB2       HIS  22  16.037  -4.227   2.197
  176   2HB   HIS  22          HB1       HIS  22  14.885  -5.270   3.025
  177    HD1  HIS  22           HD1      HIS  22  13.665  -7.061   1.618
  178    HD2  HIS  22           HD2      HIS  22  16.386  -4.767  -0.545
  179    HE1  HIS  22           HE1      HIS  22  13.983  -8.263  -0.573
  180    HE2  HIS  22           HE2      HIS  22  15.485  -6.767  -1.934
  181    H    GLU  23           HN       GLU  23  14.362  -1.113   2.459
  182    HA   GLU  23           HA       GLU  23  14.099  -1.217   5.360
  183   1HB   GLU  23          HB2       GLU  23  14.856   0.994   3.443
  184   2HB   GLU  23          HB1       GLU  23  14.743   1.204   5.185
  185   1HG   GLU  23          HG2       GLU  23  16.595  -0.704   3.768
  186   2HG   GLU  23          HG1       GLU  23  17.043   0.875   4.428
  187    H    ALA  24           HN       ALA  24  12.263  -0.786   2.648
  188    HA   ALA  24           HA       ALA  24  10.138   0.571   4.143
  189   1HB   ALA  24          HB1       ALA  24  11.044   2.032   2.377
  190   2HB   ALA  24          HB2       ALA  24   9.364   1.582   2.081
  191   3HB   ALA  24          HB3       ALA  24  10.660   0.792   1.183
  192    H    PHE  25           HN       PHE  25   8.230  -0.446   4.177
  193    HA   PHE  25           HA       PHE  25   7.577  -2.485   2.264
  194   1HB   PHE  25          HB2       PHE  25   7.311  -4.274   3.976
  195   2HB   PHE  25          HB1       PHE  25   8.989  -3.822   3.698
  196    HD1  PHE  25           HD1      PHE  25   6.217  -3.814   6.078
  197    HD2  PHE  25           HD2      PHE  25  10.261  -2.663   5.413
  198    HE1  PHE  25           HE1      PHE  25   6.505  -3.453   8.494
  199    HE2  PHE  25           HE2      PHE  25  10.555  -2.297   7.830
  200    HZ   PHE  25           HZ       PHE  25   8.676  -2.693   9.373
  201    H    ILE  26           HN       ILE  26   5.440  -3.251   2.483
  202    HA   ILE  26           HA       ILE  26   3.785  -1.875   4.472
  203    HB   ILE  26           HB       ILE  26   3.599  -1.574   1.612
  204   1HG1  ILE  26          HG12      ILE  26   2.162  -0.454   4.006
  205   2HG1  ILE  26          HG11      ILE  26   3.468   0.284   3.086
  206   1HG2  ILE  26          HG21      ILE  26   1.186  -1.931   1.316
  207   2HG2  ILE  26          HG22      ILE  26   1.104  -2.668   2.918
  208   3HG2  ILE  26          HG23      ILE  26   2.034  -3.445   1.636
  209   1HD1  ILE  26          HD11      ILE  26   0.665  -0.205   2.115
  210   2HD1  ILE  26          HD12      ILE  26   1.968   0.527   1.178
  211   3HD1  ILE  26          HD13      ILE  26   1.345   1.346   2.611
  212    H    GLU  27           HN       GLU  27   2.548  -3.209   5.611
  213    HA   GLU  27           HA       GLU  27   2.504  -6.026   4.797
  214   1HB   GLU  27          HB2       GLU  27   3.279  -5.495   7.086
  215   2HB   GLU  27          HB1       GLU  27   1.738  -4.717   7.427
  216   1HG   GLU  27          HG2       GLU  27   0.601  -6.870   7.095
  217   2HG   GLU  27          HG1       GLU  27   2.160  -7.636   6.805
  218    H    TYR  28           HN       TYR  28   0.492  -7.162   4.659
  219    HA   TYR  28           HA       TYR  28  -1.916  -5.626   5.090
  220   1HB   TYR  28          HB2       TYR  28  -2.777  -5.699   2.878
  221   2HB   TYR  28          HB1       TYR  28  -1.130  -5.111   2.713
  222    HD1  TYR  28           HD1      TYR  28  -3.436  -7.815   1.947
  223    HD2  TYR  28           HD2      TYR  28   0.622  -6.554   1.758
  224    HE1  TYR  28           HE1      TYR  28  -2.962  -9.600   0.328
  225    HE2  TYR  28           HE2      TYR  28   1.105  -8.337   0.137
  226    HH   TYR  28           HH       TYR  28  -1.369 -10.169  -1.381
  227    H    LYS  29           HN       LYS  29  -3.761  -6.889   5.211
  228    HA   LYS  29           HA       LYS  29  -3.348  -9.765   5.075
  229   1HB   LYS  29          HB2       LYS  29  -4.395 -10.063   7.326
  230   2HB   LYS  29          HB1       LYS  29  -2.802  -9.335   7.360
  231   1HG   LYS  29          HG2       LYS  29  -5.367  -7.777   7.585
  232   2HG   LYS  29          HG1       LYS  29  -4.441  -8.363   8.964
  233   1HD   LYS  29          HD2       LYS  29  -3.586  -6.350   6.891
  234   2HD   LYS  29          HD1       LYS  29  -3.901  -6.057   8.598
  235   1HE   LYS  29          HE2       LYS  29  -1.729  -7.897   7.624
  236   2HE   LYS  29          HE1       LYS  29  -1.472  -6.176   7.889
  237   1HZ   LYS  29          HZ1       LYS  29  -2.252  -6.562  10.218
  238   2HZ   LYS  29          HZ2       LYS  29  -0.773  -7.292   9.819
  239   3HZ   LYS  29          HZ3       LYS  29  -2.184  -8.232   9.908
  240    H    MET  30           HN       MET  30  -4.970 -10.774   4.212
  241    HA   MET  30           HA       MET  30  -7.240  -9.247   3.329
  242   1HB   MET  30          HB2       MET  30  -6.578 -12.181   2.965
  243   2HB   MET  30          HB1       MET  30  -7.855 -11.310   2.128
  244   1HG   MET  30          HG2       MET  30  -6.165  -9.860   1.090
  245   2HG   MET  30          HG1       MET  30  -4.901 -10.782   1.902
  246   1HE   MET  30          HE1       MET  30  -4.367 -13.329   1.390
  247   2HE   MET  30          HE2       MET  30  -5.263 -14.305   0.227
  248   3HE   MET  30          HE3       MET  30  -6.049 -13.757   1.708
  249    H    ARG  31           HN       ARG  31  -8.797  -8.865   4.673
  250    HA   ARG  31           HA       ARG  31  -9.389 -10.691   6.876
  251   1HB   ARG  31          HB2       ARG  31 -10.232  -7.846   6.293
  252   2HB   ARG  31          HB1       ARG  31 -10.741  -8.759   7.704
  253   1HG   ARG  31          HG2       ARG  31  -8.501  -8.863   8.532
  254   2HG   ARG  31          HG1       ARG  31  -7.862  -8.186   7.034
  255   1HD   ARG  31          HD2       ARG  31  -7.906  -6.479   8.736
  256   2HD   ARG  31          HD1       ARG  31  -9.089  -6.100   7.487
  257    HE   ARG  31           HE       ARG  31 -10.500  -7.473   9.398
  258   1HH1  ARG  31          HH11      ARG  31  -8.489  -4.587   9.375
  259   2HH1  ARG  31          HH12      ARG  31  -9.397  -3.806  10.639
  260   1HH2  ARG  31          HH21      ARG  31 -11.702  -6.425  11.038
  261   2HH2  ARG  31          HH22      ARG  31 -11.226  -4.838  11.573
  262    H    ASN  32           HN       ASN  32 -11.732 -10.877   7.450
  263    HA   ASN  32           HA       ASN  32 -13.798 -11.690   6.977
  264   1HB   ASN  32          HB2       ASN  32 -13.970  -9.257   6.154
  265   2HB   ASN  32          HB1       ASN  32 -13.796  -9.921   4.535
  266   1HD2  ASN  32          HD21      ASN  32 -16.023  -8.499   5.784
  267   2HD2  ASN  32          HD22      ASN  32 -17.395  -9.541   5.628
  268    H    ASN  33           HN       ASN  33 -12.229 -13.556   6.399
  269    HA   ASN  33           HA       ASN  33 -11.853 -15.432   5.184
  270   1HB   ASN  33          HB2       ASN  33 -14.158 -14.417   3.510
  271   2HB   ASN  33          HB1       ASN  33 -13.396 -15.989   3.291
  272   1HD2  ASN  33          HD21      ASN  33 -15.469 -14.059   5.270
  273   2HD2  ASN  33          HD22      ASN  33 -16.036 -15.341   6.288
  274    H    GLY  34           HN       GLY  34 -10.918 -12.563   4.327
  275   1HA   GLY  34          HA2       GLY  34  -9.014 -12.134   3.025
  276   2HA   GLY  34          HA1       GLY  34  -9.342 -13.591   2.102
  277    H    LYS  35           HN       LYS  35 -11.950 -11.396   2.656
  278    HA   LYS  35           HA       LYS  35 -11.988 -10.861  -0.214
  279   1HB   LYS  35          HB2       LYS  35 -14.141 -10.274   1.822
  280   2HB   LYS  35          HB1       LYS  35 -14.310 -10.268   0.071
  281   1HG   LYS  35          HG2       LYS  35 -13.821 -12.650   1.846
  282   2HG   LYS  35          HG1       LYS  35 -15.279 -12.280   0.923
  283   1HD   LYS  35          HD2       LYS  35 -14.177 -12.668  -1.142
  284   2HD   LYS  35          HD1       LYS  35 -12.593 -12.708  -0.368
  285   1HE   LYS  35          HE2       LYS  35 -13.324 -14.953  -0.941
  286   2HE   LYS  35          HE1       LYS  35 -13.218 -14.757   0.808
  287   1HZ   LYS  35          HZ1       LYS  35 -15.753 -14.487  -0.711
  288   2HZ   LYS  35          HZ2       LYS  35 -15.564 -14.603   0.971
  289   3HZ   LYS  35          HZ3       LYS  35 -15.235 -15.944  -0.014
  290    H    VAL  36           HN       VAL  36 -11.174  -9.307   2.699
  291    HA   VAL  36           HA       VAL  36 -11.055  -6.745   1.253
  292    HB   VAL  36           HB       VAL  36 -11.674  -7.185   4.182
  293   1HG1  VAL  36          HG11      VAL  36 -10.145  -5.306   3.962
  294   2HG1  VAL  36          HG12      VAL  36 -11.765  -4.725   4.353
  295   3HG1  VAL  36          HG13      VAL  36 -11.158  -4.601   2.702
  296   1HG2  VAL  36          HG21      VAL  36 -13.740  -5.957   3.647
  297   2HG2  VAL  36          HG22      VAL  36 -13.594  -7.452   2.722
  298   3HG2  VAL  36          HG23      VAL  36 -13.253  -5.902   1.953
  299    H    MET  37           HN       MET  37  -9.021  -6.057   0.964
  300    HA   MET  37           HA       MET  37  -6.904  -7.286   2.548
  301   1HB   MET  37          HB2       MET  37  -6.866  -5.534   0.090
  302   2HB   MET  37          HB1       MET  37  -5.401  -5.929   0.982
  303   1HG   MET  37          HG2       MET  37  -5.980  -8.354   0.628
  304   2HG   MET  37          HG1       MET  37  -7.238  -7.805  -0.477
  305   1HE   MET  37          HE1       MET  37  -4.922  -9.840  -1.307
  306   2HE   MET  37          HE2       MET  37  -4.473  -9.206  -2.891
  307   3HE   MET  37          HE3       MET  37  -6.173  -9.291  -2.426
  308    H    ASP  38           HN       ASP  38  -6.439  -6.424   4.395
  309    HA   ASP  38           HA       ASP  38  -6.807  -3.581   4.860
  310   1HB   ASP  38          HB2       ASP  38  -7.443  -5.409   6.500
  311   2HB   ASP  38          HB1       ASP  38  -5.723  -5.677   6.747
  312    H    LEU  39           HN       LEU  39  -5.271  -2.352   4.077
  313    HA   LEU  39           HA       LEU  39  -2.533  -3.251   3.861
  314   1HB   LEU  39          HB2       LEU  39  -3.994  -0.744   3.068
  315   2HB   LEU  39          HB1       LEU  39  -2.241  -0.800   3.048
  316    HG   LEU  39           HG       LEU  39  -2.227  -2.473   1.352
  317   1HD1  LEU  39          HD11      LEU  39  -4.109  -3.823   2.108
  318   2HD1  LEU  39          HD12      LEU  39  -4.239  -3.433   0.393
  319   3HD1  LEU  39          HD13      LEU  39  -5.225  -2.567   1.573
  320   1HD2  LEU  39          HD21      LEU  39  -4.277  -0.366   0.704
  321   2HD2  LEU  39          HD22      LEU  39  -3.354  -1.303  -0.471
  322   3HD2  LEU  39          HD23      LEU  39  -2.527  -0.177   0.606
  323    H    VAL  40           HN       VAL  40  -1.420  -3.325   5.651
  324    HA   VAL  40           HA       VAL  40  -1.914  -1.276   7.698
  325    HB   VAL  40           HB       VAL  40  -1.260  -4.204   7.927
  326   1HG1  VAL  40          HG11      VAL  40   0.287  -3.046   9.409
  327   2HG1  VAL  40          HG12      VAL  40  -0.947  -3.910  10.327
  328   3HG1  VAL  40          HG13      VAL  40  -1.056  -2.159  10.132
  329   1HG2  VAL  40          HG21      VAL  40  -3.607  -3.550   7.803
  330   2HG2  VAL  40          HG22      VAL  40  -3.382  -2.465   9.175
  331   3HG2  VAL  40          HG23      VAL  40  -3.213  -4.207   9.391
  332    H    HIS  41           HN       HIS  41  -0.309   0.148   7.766
  333    HA   HIS  41           HA       HIS  41   1.703   0.894   8.507
  334   1HB   HIS  41          HB2       HIS  41   1.900  -1.344   9.677
  335   2HB   HIS  41          HB1       HIS  41   2.779  -1.911   8.271
  336    HD1  HIS  41           HD1      HIS  41   4.238  -2.109  10.813
  337    HD2  HIS  41           HD2      HIS  41   4.346   1.359   8.509
  338    HE1  HIS  41           HE1      HIS  41   6.312  -0.884  11.525
  339    HE2  HIS  41           HE2      HIS  41   6.203   1.322  10.318
  340    H    THR  42           HN       THR  42   2.052   2.147   6.761
  341    HA   THR  42           HA       THR  42   3.794   1.069   4.666
  342    HB   THR  42           HB       THR  42   2.063   2.650   3.895
  343    HG1  THR  42           HG1      THR  42   3.530   3.233   2.520
  344   1HG2  THR  42          HG21      THR  42   1.775   3.952   5.933
  345   2HG2  THR  42          HG22      THR  42   2.154   5.014   4.578
  346   3HG2  THR  42          HG23      THR  42   3.403   4.613   5.762
  347    H    TYR  43           HN       TYR  43   5.973   1.358   4.749
  348    HA   TYR  43           HA       TYR  43   6.979   3.524   6.418
  349   1HB   TYR  43          HB2       TYR  43   6.994   1.222   7.642
  350   2HB   TYR  43          HB1       TYR  43   8.363   0.868   6.586
  351    HD1  TYR  43           HD1      TYR  43   7.215   3.833   8.527
  352    HD2  TYR  43           HD2      TYR  43  10.403   1.156   7.655
  353    HE1  TYR  43           HE1      TYR  43   8.672   5.104  10.026
  354    HE2  TYR  43           HE2      TYR  43  11.880   2.418   9.169
  355    HH   TYR  43           HH       TYR  43  10.690   4.781  11.337
  356    H    VAL  44           HN       VAL  44   9.033   4.265   5.839
  357    HA   VAL  44           HA       VAL  44  10.354   3.160   3.510
  358    HB   VAL  44           HB       VAL  44   8.572   4.496   2.482
  359   1HG1  VAL  44          HG11      VAL  44   8.522   6.936   2.724
  360   2HG1  VAL  44          HG12      VAL  44   9.743   6.823   3.991
  361   3HG1  VAL  44          HG13      VAL  44   8.152   6.103   4.234
  362   1HG2  VAL  44          HG21      VAL  44  10.661   4.344   1.300
  363   2HG2  VAL  44          HG22      VAL  44  11.306   5.717   2.199
  364   3HG2  VAL  44          HG23      VAL  44   9.969   5.950   1.071
  365    HA   PRO  45           HA       PRO  45  13.745   4.912   5.828
  366   1HB   PRO  45          HB2       PRO  45  15.693   4.701   3.963
  367   2HB   PRO  45          HB1       PRO  45  15.054   3.299   4.830
  368   1HG   PRO  45          HG2       PRO  45  14.357   4.312   2.096
  369   2HG   PRO  45          HG1       PRO  45  14.690   2.648   2.618
  370   1HD   PRO  45          HD2       PRO  45  12.178   3.566   2.287
  371   2HD   PRO  45          HD1       PRO  45  12.588   2.387   3.549
  372    H    SER  46           HN       SER  46  15.481   6.605   5.553
  373    HA   SER  46           HA       SER  46  14.275   9.046   4.833
  374   1HB   SER  46          HB2       SER  46  17.200   8.497   5.361
  375   2HB   SER  46          HB1       SER  46  16.391  10.060   5.462
  376    HG   SER  46           HG       SER  46  16.188   7.824   7.165
  377    H    PHE  47           HN       PHE  47  15.897   6.768   2.934
  378    HA   PHE  47           HA       PHE  47  17.092   8.451   0.996
  379   1HB   PHE  47          HB2       PHE  47  16.078   5.614   0.761
  380   2HB   PHE  47          HB1       PHE  47  17.097   6.420  -0.425
  381    HD1  PHE  47           HD1      PHE  47  16.981   4.649   2.714
  382    HD2  PHE  47           HD2      PHE  47  19.427   7.036   0.177
  383    HE1  PHE  47           HE1      PHE  47  18.978   3.884   3.926
  384    HE2  PHE  47           HE2      PHE  47  21.431   6.272   1.385
  385    HZ   PHE  47           HZ       PHE  47  21.206   4.695   3.263
  386    H    LYS  48           HN       LYS  48  13.857   7.176   1.427
  387    HA   LYS  48           HA       LYS  48  12.971   8.658  -0.953
  388   1HB   LYS  48          HB2       LYS  48  12.448   5.764  -0.298
  389   2HB   LYS  48          HB1       LYS  48  11.360   6.678  -1.331
  390   1HG   LYS  48          HG2       LYS  48  13.046   6.998  -2.971
  391   2HG   LYS  48          HG1       LYS  48  14.303   6.391  -1.891
  392   1HD   LYS  48          HD2       LYS  48  11.970   4.680  -2.701
  393   2HD   LYS  48          HD1       LYS  48  13.408   4.812  -3.714
  394   1HE   LYS  48          HE2       LYS  48  13.630   4.130  -0.804
  395   2HE   LYS  48          HE1       LYS  48  13.265   2.880  -1.992
  396   1HZ   LYS  48          HZ1       LYS  48  15.669   3.124  -1.476
  397   2HZ   LYS  48          HZ2       LYS  48  15.626   4.683  -2.151
  398   3HZ   LYS  48          HZ3       LYS  48  15.307   3.333  -3.122
  399    H    ARG  49           HN       ARG  49  12.826   8.973   2.046
  400    HA   ARG  49           HA       ARG  49  10.180   8.490   2.900
  401   1HB   ARG  49          HB2       ARG  49  10.702  10.087   4.730
  402   2HB   ARG  49          HB1       ARG  49  11.903   8.820   4.540
  403   1HG   ARG  49          HG2       ARG  49  13.428  10.328   3.484
  404   2HG   ARG  49          HG1       ARG  49  12.200  11.597   3.423
  405   1HD   ARG  49          HD2       ARG  49  13.381  10.399   5.928
  406   2HD   ARG  49          HD1       ARG  49  13.794  11.970   5.245
  407    HE   ARG  49           HE       ARG  49  10.983  11.613   5.828
  408   1HH1  ARG  49          HH11      ARG  49  14.088  12.693   7.058
  409   2HH1  ARG  49          HH12      ARG  49  13.388  13.699   8.288
  410   1HH2  ARG  49          HH21      ARG  49  10.068  12.930   7.429
  411   2HH2  ARG  49          HH22      ARG  49  11.091  13.854   8.494
  412    H    GLY  50           HN       GLY  50   8.389   9.402   2.237
  413   1HA   GLY  50          HA2       GLY  50   6.875  10.977   1.561
  414   2HA   GLY  50          HA1       GLY  50   8.035  12.212   2.028
  415    H    LEU  51           HN       LEU  51   9.291   9.963  -0.151
  416    HA   LEU  51           HA       LEU  51   9.314  11.909  -2.278
  417   1HB   LEU  51          HB2       LEU  51  11.297  10.558  -1.771
  418   2HB   LEU  51          HB1       LEU  51  10.396   9.093  -2.104
  419    HG   LEU  51           HG       LEU  51  10.695  11.119  -4.281
  420   1HD1  LEU  51          HD11      LEU  51  12.806  10.069  -4.944
  421   2HD1  LEU  51          HD12      LEU  51  12.797   9.114  -3.461
  422   3HD1  LEU  51          HD13      LEU  51  12.947  10.870  -3.380
  423   1HD2  LEU  51          HD21      LEU  51  10.660   9.106  -5.663
  424   2HD2  LEU  51          HD22      LEU  51   9.253   9.173  -4.598
  425   3HD2  LEU  51          HD23      LEU  51  10.601   8.105  -4.211
  426    H    GLY  52           HN       GLY  52   7.593   9.010  -1.412
  427   1HA   GLY  52          HA2       GLY  52   5.362   9.042  -2.727
  428   2HA   GLY  52          HA1       GLY  52   6.439   8.855  -4.104
  429    H    LEU  53           HN       LEU  53   8.261   7.146  -2.442
  430    HA   LEU  53           HA       LEU  53   7.422   4.698  -3.425
  431   1HB   LEU  53          HB2       LEU  53   9.709   4.986  -2.791
  432   2HB   LEU  53          HB1       LEU  53   9.261   5.260  -1.116
  433    HG   LEU  53           HG       LEU  53   8.199   2.913  -1.237
  434   1HD1  LEU  53          HD11      LEU  53  10.053   2.773  -3.590
  435   2HD1  LEU  53          HD12      LEU  53   8.302   2.537  -3.576
  436   3HD1  LEU  53          HD13      LEU  53   9.354   1.379  -2.764
  437   1HD2  LEU  53          HD21      LEU  53   9.960   3.288   0.204
  438   2HD2  LEU  53          HD22      LEU  53  11.131   3.448  -1.114
  439   3HD2  LEU  53          HD23      LEU  53  10.416   1.875  -0.750
  440    H    ALA  54           HN       ALA  54   7.024   5.971  -0.137
  441    HA   ALA  54           HA       ALA  54   6.146   3.660   1.081
  442   1HB   ALA  54          HB1       ALA  54   5.274   6.501   1.650
  443   2HB   ALA  54          HB2       ALA  54   6.693   5.690   2.315
  444   3HB   ALA  54          HB3       ALA  54   5.076   5.130   2.744
  445    H    SER  55           HN       SER  55   4.337   6.110  -0.679
  446    HA   SER  55           HA       SER  55   1.792   4.924  -0.501
  447   1HB   SER  55          HB2       SER  55   2.769   6.696  -2.741
  448   2HB   SER  55          HB1       SER  55   1.130   6.550  -2.105
  449    HG   SER  55           HG       SER  55   1.610   7.909  -0.571
  450    H    HIS  56           HN       HIS  56   4.472   4.553  -2.770
  451    HA   HIS  56           HA       HIS  56   3.155   3.059  -4.745
  452   1HB   HIS  56          HB2       HIS  56   5.971   3.448  -3.950
  453   2HB   HIS  56          HB1       HIS  56   5.624   1.977  -4.847
  454    HD1  HIS  56           HD1      HIS  56   5.411   2.170  -7.315
  455    HD2  HIS  56           HD2      HIS  56   5.243   5.869  -5.418
  456    HE1  HIS  56           HE1      HIS  56   5.501   3.883  -9.156
  457    HE2  HIS  56           HE2      HIS  56   5.173   6.098  -7.999
  458    H    LEU  57           HN       LEU  57   4.494   2.156  -1.654
  459    HA   LEU  57           HA       LEU  57   4.301  -0.656  -1.962
  460   1HB   LEU  57          HB2       LEU  57   4.119   1.012   0.554
  461   2HB   LEU  57          HB1       LEU  57   4.412  -0.715   0.491
  462    HG   LEU  57           HG       LEU  57   6.272   1.321  -0.728
  463   1HD1  LEU  57          HD11      LEU  57   6.424  -0.004   1.974
  464   2HD1  LEU  57          HD12      LEU  57   6.116   1.706   1.666
  465   3HD1  LEU  57          HD13      LEU  57   7.677   1.002   1.242
  466   1HD2  LEU  57          HD21      LEU  57   6.450  -0.930  -1.650
  467   2HD2  LEU  57          HD22      LEU  57   6.627  -1.593  -0.026
  468   3HD2  LEU  57          HD23      LEU  57   7.872  -0.531  -0.685
  469    H    CYS  58           HN       CYS  58   2.134   1.834  -0.731
  470    HA   CYS  58           HA       CYS  58  -0.028   0.139  -0.059
  471   1HB   CYS  58          HB2       CYS  58   0.132   2.490   0.689
  472   2HB   CYS  58          HB1       CYS  58  -0.104   3.026  -0.977
  473    HG   CYS  58           HG       CYS  58  -2.665   1.331  -0.732
  474    H    VAL  59           HN       VAL  59   0.870   1.787  -3.035
  475    HA   VAL  59           HA       VAL  59  -1.347   1.069  -4.595
  476    HB   VAL  59           HB       VAL  59   1.511   1.623  -5.398
  477   1HG1  VAL  59          HG11      VAL  59  -0.935   1.412  -7.156
  478   2HG1  VAL  59          HG12      VAL  59   0.438   0.304  -7.143
  479   3HG1  VAL  59          HG13      VAL  59   0.655   1.971  -7.675
  480   1HG2  VAL  59          HG21      VAL  59   0.619   3.806  -6.066
  481   2HG2  VAL  59          HG22      VAL  59   0.386   3.496  -4.345
  482   3HG2  VAL  59          HG23      VAL  59  -0.969   3.333  -5.463
  483    H    ALA  60           HN       ALA  60   1.616  -0.674  -3.817
  484    HA   ALA  60           HA       ALA  60   1.387  -2.761  -5.669
  485   1HB   ALA  60          HB1       ALA  60   2.551  -2.869  -2.891
  486   2HB   ALA  60          HB2       ALA  60   3.403  -2.368  -4.352
  487   3HB   ALA  60          HB3       ALA  60   2.844  -4.032  -4.184
  488    H    ALA  61           HN       ALA  61  -0.095  -2.368  -2.459
  489    HA   ALA  61           HA       ALA  61  -1.317  -4.952  -2.540
  490   1HB   ALA  61          HB1       ALA  61  -2.590  -4.202  -0.617
  491   2HB   ALA  61          HB2       ALA  61  -2.067  -2.541  -0.899
  492   3HB   ALA  61          HB3       ALA  61  -0.889  -3.770  -0.439
  493    H    PHE  62           HN       PHE  62  -2.289  -1.679  -3.441
  494    HA   PHE  62           HA       PHE  62  -4.948  -2.172  -4.140
  495   1HB   PHE  62          HB2       PHE  62  -2.917  -0.257  -5.278
  496   2HB   PHE  62          HB1       PHE  62  -4.572  -0.322  -5.865
  497    HD1  PHE  62           HD1      PHE  62  -6.047  -0.688  -3.337
  498    HD2  PHE  62           HD2      PHE  62  -2.751   1.829  -4.284
  499    HE1  PHE  62           HE1      PHE  62  -6.763   0.905  -1.596
  500    HE2  PHE  62           HE2      PHE  62  -3.461   3.433  -2.548
  501    HZ   PHE  62           HZ       PHE  62  -5.467   2.960  -1.198
  502    H    GLU  63           HN       GLU  63  -2.019  -2.369  -6.117
  503    HA   GLU  63           HA       GLU  63  -3.092  -3.181  -8.532
  504   1HB   GLU  63          HB2       GLU  63  -0.484  -3.903  -7.197
  505   2HB   GLU  63          HB1       GLU  63  -0.865  -4.355  -8.851
  506   1HG   GLU  63          HG2       GLU  63  -0.872  -1.513  -7.877
  507   2HG   GLU  63          HG1       GLU  63   0.546  -2.305  -8.570
  508    H    HIS  64           HN       HIS  64  -2.380  -5.073  -5.670
  509    HA   HIS  64           HA       HIS  64  -2.692  -7.600  -6.983
  510   1HB   HIS  64          HB2       HIS  64  -1.230  -7.179  -4.982
  511   2HB   HIS  64          HB1       HIS  64  -2.692  -7.033  -4.016
  512    HD1  HIS  64           HD1      HIS  64  -1.592  -9.130  -2.687
  513    HD2  HIS  64           HD2      HIS  64  -2.905  -9.896  -6.559
  514    HE1  HIS  64           HE1      HIS  64  -1.757 -11.629  -2.867
  515    HE2  HIS  64           HE2      HIS  64  -2.510 -12.080  -5.227
  516    H    ALA  65           HN       ALA  65  -4.656  -5.655  -4.757
  517    HA   ALA  65           HA       ALA  65  -6.756  -7.579  -4.618
  518   1HB   ALA  65          HB1       ALA  65  -6.841  -4.653  -3.924
  519   2HB   ALA  65          HB2       ALA  65  -6.328  -5.945  -2.837
  520   3HB   ALA  65          HB3       ALA  65  -7.994  -5.889  -3.420
  521    H    SER  66           HN       SER  66  -6.415  -4.455  -6.310
  522    HA   SER  66           HA       SER  66  -8.899  -4.324  -7.501
  523   1HB   SER  66          HB2       SER  66  -7.300  -2.490  -7.636
  524   2HB   SER  66          HB1       SER  66  -6.230  -3.458  -8.647
  525    HG   SER  66           HG       SER  66  -8.769  -2.363  -9.287
  526    H    SER  67           HN       SER  67  -6.022  -6.036  -8.737
  527    HA   SER  67           HA       SER  67  -7.217  -6.804 -11.180
  528   1HB   SER  67          HB2       SER  67  -5.340  -8.540 -11.184
  529   2HB   SER  67          HB1       SER  67  -4.856  -6.845 -11.095
  530    HG   SER  67           HG       SER  67  -4.137  -7.133  -9.122
  531    H    HIS  68           HN       HIS  68  -7.237  -8.215  -7.980
  532    HA   HIS  68           HA       HIS  68  -8.510 -10.658  -8.955
  533   1HB   HIS  68          HB2       HIS  68  -6.723 -10.429  -7.048
  534   2HB   HIS  68          HB1       HIS  68  -8.112 -10.005  -6.056
  535    HD1  HIS  68           HD1      HIS  68  -6.335 -12.825  -7.543
  536    HD2  HIS  68           HD2      HIS  68 -10.034 -12.154  -5.780
  537    HE1  HIS  68           HE1      HIS  68  -7.244 -15.109  -6.977
  538    HE2  HIS  68           HE2      HIS  68  -9.551 -14.681  -6.047
  539    H    SER  69           HN       SER  69  -9.539  -7.676  -8.486
  540    HA   SER  69           HA       SER  69 -11.507  -6.627  -8.047
  541   1HB   SER  69          HB2       SER  69 -12.688  -9.409  -8.243
  542   2HB   SER  69          HB1       SER  69 -13.576  -7.891  -8.372
  543    HG   SER  69           HG       SER  69 -12.794  -7.567 -10.344
  544    H    ILE  70           HN       ILE  70  -9.948  -7.178  -5.865
  545    HA   ILE  70           HA       ILE  70 -11.753  -8.124  -3.752
  546    HB   ILE  70           HB       ILE  70  -8.758  -7.621  -3.711
  547   1HG1  ILE  70          HG12      ILE  70 -10.371 -10.185  -3.682
  548   2HG1  ILE  70          HG11      ILE  70  -9.388  -9.590  -5.016
  549   1HG2  ILE  70          HG21      ILE  70  -8.785  -8.716  -1.503
  550   2HG2  ILE  70          HG22      ILE  70 -10.549  -8.726  -1.547
  551   3HG2  ILE  70          HG23      ILE  70  -9.677  -7.194  -1.513
  552   1HD1  ILE  70          HD11      ILE  70  -8.390 -10.467  -2.314
  553   2HD1  ILE  70          HD12      ILE  70  -7.388  -9.819  -3.612
  554   3HD1  ILE  70          HD13      ILE  70  -8.235 -11.349  -3.834
  555    H    SER  71           HN       SER  71 -12.006  -6.863  -1.812
  556    HA   SER  71           HA       SER  71 -11.913  -3.989  -2.304
  557   1HB   SER  71          HB2       SER  71 -14.006  -5.059  -1.443
  558   2HB   SER  71          HB1       SER  71 -13.133  -5.530   0.012
  559    HG   SER  71           HG       SER  71 -13.275  -2.831  -0.827
  560    H    ILE  72           HN       ILE  72 -11.096  -2.568  -0.538
  561    HA   ILE  72           HA       ILE  72  -8.911  -3.823   0.979
  562    HB   ILE  72           HB       ILE  72  -8.632  -1.566  -1.017
  563   1HG1  ILE  72          HG12      ILE  72  -7.387  -4.285  -0.685
  564   2HG1  ILE  72          HG11      ILE  72  -8.245  -3.628  -2.079
  565   1HG2  ILE  72          HG21      ILE  72  -7.516  -0.796   0.977
  566   2HG2  ILE  72          HG22      ILE  72  -6.324  -1.246  -0.243
  567   3HG2  ILE  72          HG23      ILE  72  -6.646  -2.326   1.115
  568   1HD1  ILE  72          HD11      ILE  72  -5.530  -2.746  -1.118
  569   2HD1  ILE  72          HD12      ILE  72  -6.394  -2.114  -2.518
  570   3HD1  ILE  72          HD13      ILE  72  -5.854  -3.792  -2.501
  571    H    ILE  73           HN       ILE  73  -8.224  -2.698   2.774
  572    HA   ILE  73           HA       ILE  73  -9.526  -0.153   3.490
  573    HB   ILE  73           HB       ILE  73  -9.216  -2.613   5.247
  574   1HG1  ILE  73          HG12      ILE  73 -11.286  -2.462   3.918
  575   2HG1  ILE  73          HG11      ILE  73 -11.601  -2.362   5.648
  576   1HG2  ILE  73          HG21      ILE  73  -8.382  -0.725   6.508
  577   2HG2  ILE  73          HG22      ILE  73  -9.954  -1.224   7.142
  578   3HG2  ILE  73          HG23      ILE  73  -9.832   0.207   6.119
  579   1HD1  ILE  73          HD11      ILE  73 -11.510  -0.031   3.747
  580   2HD1  ILE  73          HD12      ILE  73 -11.866   0.044   5.473
  581   3HD1  ILE  73          HD13      ILE  73 -12.967  -0.795   4.382
  582    HA   PRO  74           HA       PRO  74  -5.100   0.260   4.037
  583   1HB   PRO  74          HB2       PRO  74  -5.097   2.975   3.505
  584   2HB   PRO  74          HB1       PRO  74  -4.987   1.696   2.296
  585   1HG   PRO  74          HG2       PRO  74  -7.140   3.535   2.725
  586   2HG   PRO  74          HG1       PRO  74  -7.031   2.245   1.517
  587   1HD   PRO  74          HD2       PRO  74  -8.438   2.276   4.112
  588   2HD   PRO  74          HD1       PRO  74  -8.723   1.262   2.681
  589    H    SER  75           HN       SER  75  -4.769  -0.021   6.214
  590    HA   SER  75           HA       SER  75  -5.242   2.052   8.145
  591   1HB   SER  75          HB2       SER  75  -3.353  -0.323   8.221
  592   2HB   SER  75          HB1       SER  75  -3.813   0.671   9.606
  593    HG   SER  75           HG       SER  75  -5.344  -1.198   8.142
  594    H    CYS  76           HN       CYS  76  -2.935   1.317   5.768
  595    HA   CYS  76           HA       CYS  76  -0.820   3.031   6.434
  596   1HB   CYS  76          HB2       CYS  76  -1.744   2.338   3.646
  597   2HB   CYS  76          HB1       CYS  76  -0.147   2.871   4.139
  598    HG   CYS  76           HG       CYS  76   0.802   0.576   4.826
  599    H    SER  77           HN       SER  77  -3.583   4.152   6.737
  600    HA   SER  77           HA       SER  77  -4.556   5.714   4.733
  601   1HB   SER  77          HB2       SER  77  -4.760   6.718   7.530
  602   2HB   SER  77          HB1       SER  77  -6.018   6.514   6.311
  603    HG   SER  77           HG       SER  77  -5.812   4.226   6.632
  604    H    TYR  78           HN       TYR  78  -1.653   6.490   6.514
  605    HA   TYR  78           HA       TYR  78  -1.507   9.236   6.025
  606   1HB   TYR  78          HB2       TYR  78   0.489   8.694   6.976
  607   2HB   TYR  78          HB1       TYR  78   0.417   7.041   6.379
  608    HD1  TYR  78           HD1      TYR  78   1.395  10.504   5.452
  609    HD2  TYR  78           HD2      TYR  78   1.665   6.370   4.490
  610    HE1  TYR  78           HE1      TYR  78   3.130  11.004   3.784
  611    HE2  TYR  78           HE2      TYR  78   3.392   6.850   2.808
  612    HH   TYR  78           HH       TYR  78   4.875   9.994   2.582
  613    H    VAL  79           HN       VAL  79  -0.811   6.495   3.911
  614    HA   VAL  79           HA       VAL  79  -0.292   7.962   1.548
  615    HB   VAL  79           HB       VAL  79  -1.385   5.156   1.859
  616   1HG1  VAL  79          HG11      VAL  79  -0.088   6.479  -0.519
  617   2HG1  VAL  79          HG12      VAL  79  -1.788   6.036  -0.369
  618   3HG1  VAL  79          HG13      VAL  79  -0.550   4.780  -0.409
  619   1HG2  VAL  79          HG21      VAL  79   0.756   5.407   2.979
  620   2HG2  VAL  79          HG22      VAL  79   1.458   6.105   1.519
  621   3HG2  VAL  79          HG23      VAL  79   0.929   4.423   1.526
  622    H    SER  80           HN       SER  80  -3.154   6.404   2.877
  623    HA   SER  80           HA       SER  80  -4.876   6.750   0.720
  624   1HB   SER  80          HB2       SER  80  -5.733   6.880   3.606
  625   2HB   SER  80          HB1       SER  80  -6.620   6.208   2.235
  626    HG   SER  80           HG       SER  80  -5.113   4.546   2.118
  627    H    ASP  81           HN       ASP  81  -4.078   8.922   3.339
  628    HA   ASP  81           HA       ASP  81  -6.248  10.714   2.902
  629   1HB   ASP  81          HB2       ASP  81  -5.282  10.557   5.094
  630   2HB   ASP  81          HB1       ASP  81  -3.677  10.943   4.489
  631    H    THR  82           HN       THR  82  -2.763  10.862   2.083
  632    HA   THR  82           HA       THR  82  -3.247  13.345   0.643
  633    HB   THR  82           HB       THR  82  -1.246  13.338   1.973
  634    HG1  THR  82           HG1      THR  82  -1.291  14.280  -0.269
  635   1HG2  THR  82          HG21      THR  82  -0.756  10.953   2.030
  636   2HG2  THR  82          HG22      THR  82   0.657  11.857   1.482
  637   3HG2  THR  82          HG23      THR  82  -0.336  10.981   0.317
  638    H    PHE  83           HN       PHE  83  -2.143  10.054  -0.084
  639    HA   PHE  83           HA       PHE  83  -1.495  10.659  -2.794
  640   1HB   PHE  83          HB2       PHE  83  -0.503   8.853  -1.289
  641   2HB   PHE  83          HB1       PHE  83  -1.933   7.907  -1.675
  642    HD1  PHE  83           HD1      PHE  83  -1.686   6.365  -3.329
  643    HD2  PHE  83           HD2      PHE  83   0.579   9.960  -3.525
  644    HE1  PHE  83           HE1      PHE  83  -0.648   5.593  -5.421
  645    HE2  PHE  83           HE2      PHE  83   1.629   9.188  -5.616
  646    HZ   PHE  83           HZ       PHE  83   1.015   7.004  -6.563
  647    H    LEU  84           HN       LEU  84  -4.261   9.134  -1.217
  648    HA   LEU  84           HA       LEU  84  -5.306   8.133  -3.668
  649   1HB   LEU  84          HB2       LEU  84  -6.438   8.364  -0.913
  650   2HB   LEU  84          HB1       LEU  84  -7.436   7.852  -2.263
  651    HG   LEU  84           HG       LEU  84  -4.866   6.493  -1.439
  652   1HD1  LEU  84          HD11      LEU  84  -7.720   5.663  -0.952
  653   2HD1  LEU  84          HD12      LEU  84  -6.570   6.199   0.274
  654   3HD1  LEU  84          HD13      LEU  84  -6.287   4.695  -0.604
  655   1HD2  LEU  84          HD21      LEU  84  -5.426   6.278  -3.809
  656   2HD2  LEU  84          HD22      LEU  84  -7.023   5.671  -3.374
  657   3HD2  LEU  84          HD23      LEU  84  -5.582   4.742  -2.958
  658    HA   PRO  85           HA       PRO  85  -8.056  12.138  -3.692
  659   1HB   PRO  85          HB2       PRO  85  -6.098  14.021  -2.529
  660   2HB   PRO  85          HB1       PRO  85  -7.853  13.967  -2.339
  661   1HG   PRO  85          HG2       PRO  85  -6.204  13.243  -0.359
  662   2HG   PRO  85          HG1       PRO  85  -7.757  12.432  -0.628
  663   1HD   PRO  85          HD2       PRO  85  -4.991  11.508  -1.301
  664   2HD   PRO  85          HD1       PRO  85  -6.388  10.577  -0.718
  665    H    ARG  86           HN       ARG  86  -4.592  11.887  -3.786
  666    HA   ARG  86           HA       ARG  86  -4.198  13.615  -6.040
  667   1HB   ARG  86          HB2       ARG  86  -2.428  13.281  -4.425
  668   2HB   ARG  86          HB1       ARG  86  -2.442  11.546  -4.701
  669   1HG   ARG  86          HG2       ARG  86  -1.504  11.816  -6.880
  670   2HG   ARG  86          HG1       ARG  86  -1.690  13.572  -6.796
  671   1HD   ARG  86          HD2       ARG  86  -0.030  13.774  -5.139
  672   2HD   ARG  86          HD1       ARG  86  -0.053  12.047  -4.793
  673    HE   ARG  86           HE       ARG  86   0.748  12.159  -7.385
  674   1HH1  ARG  86          HH11      ARG  86   1.840  13.799  -4.484
  675   2HH1  ARG  86          HH12      ARG  86   3.518  13.786  -4.948
  676   1HH2  ARG  86          HH21      ARG  86   2.952  12.142  -8.006
  677   2HH2  ARG  86          HH22      ARG  86   4.155  12.827  -6.954
  678    H    ASN  87           HN       ASN  87  -4.401  10.104  -5.552
  679    HA   ASN  87           HA       ASN  87  -5.126   9.841  -8.391
  680   1HB   ASN  87          HB2       ASN  87  -3.277   7.996  -6.857
  681   2HB   ASN  87          HB1       ASN  87  -3.972   7.616  -8.430
  682   1HD2  ASN  87          HD21      ASN  87  -1.598   9.411  -6.713
  683   2HD2  ASN  87          HD22      ASN  87  -0.765  10.044  -8.093
  684    HA   PRO  88           HA       PRO  88  -8.357   8.006  -5.720
  685   1HB   PRO  88          HB2       PRO  88 -10.336   9.062  -7.497
  686   2HB   PRO  88          HB1       PRO  88  -9.917   9.629  -5.883
  687   1HG   PRO  88          HG2       PRO  88  -9.484  11.036  -8.224
  688   2HG   PRO  88          HG1       PRO  88  -8.653  11.331  -6.687
  689   1HD   PRO  88          HD2       PRO  88  -7.710   9.849  -9.101
  690   2HD   PRO  88          HD1       PRO  88  -6.802  10.875  -7.973
  691    H    SER  89           HN       SER  89  -6.982   6.432  -7.585
  692    HA   SER  89           HA       SER  89  -9.015   5.362  -9.403
  693   1HB   SER  89          HB2       SER  89  -6.983   4.063 -10.284
  694   2HB   SER  89          HB1       SER  89  -6.986   5.808 -10.533
  695    HG   SER  89           HG       SER  89  -5.567   4.330  -8.568
  696    H    TRP  90           HN       TRP  90  -8.511   4.899  -6.334
  697    HA   TRP  90           HA       TRP  90  -8.670   1.964  -6.484
  698   1HB   TRP  90          HB2       TRP  90  -7.292   3.424  -4.237
  699   2HB   TRP  90          HB1       TRP  90  -7.220   1.710  -4.628
  700    HD1  TRP  90           HD1      TRP  90  -5.304   4.825  -5.063
  701    HE1  TRP  90           HE1      TRP  90  -3.410   4.513  -6.776
  702    HE3  TRP  90           HE3      TRP  90  -6.789   0.381  -7.116
  703    HZ2  TRP  90           HZ2      TRP  90  -2.654   2.638  -8.743
  704    HZ3  TRP  90           HZ3      TRP  90  -5.427  -0.598  -8.916
  705    HH2  TRP  90           HH2      TRP  90  -3.402   0.511  -9.711
  706    H    LYS  91           HN       LYS  91 -10.288   4.576  -6.030
  707    HA   LYS  91           HA       LYS  91 -11.581   4.493  -3.573
  708   1HB   LYS  91          HB2       LYS  91 -11.661   6.277  -5.360
  709   2HB   LYS  91          HB1       LYS  91 -12.803   5.264  -6.223
  710   1HG   LYS  91          HG2       LYS  91 -14.433   5.504  -4.516
  711   2HG   LYS  91          HG1       LYS  91 -13.271   6.274  -3.430
  712   1HD   LYS  91          HD2       LYS  91 -13.041   8.126  -5.063
  713   2HD   LYS  91          HD1       LYS  91 -14.296   7.373  -6.049
  714   1HE   LYS  91          HE2       LYS  91 -15.920   7.677  -4.300
  715   2HE   LYS  91          HE1       LYS  91 -14.676   8.261  -3.190
  716   1HZ   LYS  91          HZ1       LYS  91 -15.965  10.073  -4.164
  717   2HZ   LYS  91          HZ2       LYS  91 -15.469   9.604  -5.715
  718   3HZ   LYS  91          HZ3       LYS  91 -14.327  10.167  -4.597
  719    HA   PRO  92           HA       PRO  92 -14.722   1.361  -5.801
  720   1HB   PRO  92          HB2       PRO  92 -12.669  -0.046  -7.413
  721   2HB   PRO  92          HB1       PRO  92 -14.370   0.262  -7.778
  722   1HG   PRO  92          HG2       PRO  92 -12.463   1.661  -8.977
  723   2HG   PRO  92          HG1       PRO  92 -13.966   2.444  -8.452
  724   1HD   PRO  92          HD2       PRO  92 -11.252   2.512  -7.199
  725   2HD   PRO  92          HD1       PRO  92 -12.455   3.808  -7.356
  726    H    LEU  93           HN       LEU  93 -11.418   0.816  -4.870
  727    HA   LEU  93           HA       LEU  93 -11.905  -1.904  -3.998
  728   1HB   LEU  93          HB2       LEU  93  -9.483  -0.176  -3.506
  729   2HB   LEU  93          HB1       LEU  93  -9.575  -1.927  -3.413
  730    HG   LEU  93           HG       LEU  93  -9.996  -0.355  -5.943
  731   1HD1  LEU  93          HD11      LEU  93  -7.741  -1.122  -6.564
  732   2HD1  LEU  93          HD12      LEU  93  -7.537  -1.804  -4.950
  733   3HD1  LEU  93          HD13      LEU  93  -7.709  -0.061  -5.155
  734   1HD2  LEU  93          HD21      LEU  93  -9.670  -2.553  -7.003
  735   2HD2  LEU  93          HD22      LEU  93 -11.076  -2.525  -5.936
  736   3HD2  LEU  93          HD23      LEU  93  -9.579  -3.297  -5.403
  737    H    ILE  94           HN       ILE  94 -10.963   1.153  -2.487
  738    HA   ILE  94           HA       ILE  94 -11.666   0.045   0.119
  739    HB   ILE  94           HB       ILE  94 -10.566   1.970   1.087
  740   1HG1  ILE  94          HG12      ILE  94  -9.944   2.918  -1.709
  741   2HG1  ILE  94          HG11      ILE  94 -11.250   3.586  -0.730
  742   1HG2  ILE  94          HG21      ILE  94  -8.287   1.608   0.253
  743   2HG2  ILE  94          HG22      ILE  94  -8.945   0.760  -1.146
  744   3HG2  ILE  94          HG23      ILE  94  -9.162   0.093   0.472
  745   1HD1  ILE  94          HD11      ILE  94  -9.247   4.949  -0.593
  746   2HD1  ILE  94          HD12      ILE  94  -8.342   3.555   0.005
  747   3HD1  ILE  94          HD13      ILE  94  -9.650   4.237   0.970
  748    H    HIS  95           HN       HIS  95 -12.122   2.907   1.043
  749    HA   HIS  95           HA       HIS  95 -14.925   2.958   0.243
  750   1HB   HIS  95          HB2       HIS  95 -13.489   3.902   2.703
  751   2HB   HIS  95          HB1       HIS  95 -15.121   4.472   2.323
  752    HD1  HIS  95           HD1      HIS  95 -16.553   3.189   3.965
  753    HD2  HIS  95           HD2      HIS  95 -13.806   0.747   2.020
  754    HE1  HIS  95           HE1      HIS  95 -17.149   0.837   4.621
  755    HE2  HIS  95           HE2      HIS  95 -15.567  -0.627   3.314
  756    H    SER  96           HN       SER  96 -12.122   5.218   0.583
  757    HA   SER  96           HA       SER  96 -12.738   6.240  -1.986
  758   1HB   SER  96          HB2       SER  96 -14.482   7.407  -0.535
  759   2HB   SER  96          HB1       SER  96 -13.148   8.256   0.240
  760    HG   SER  96           HG       SER  96 -12.559   8.943  -1.966
  761    H    GLU  97           HN       GLU  97 -11.475   8.420   0.472
  762    HA   GLU  97           HA       GLU  97  -8.809   7.993  -0.629
  763   1HB   GLU  97          HB2       GLU  97 -10.096  10.326   0.752
  764   2HB   GLU  97          HB1       GLU  97  -8.349  10.213   0.585
  765   1HG   GLU  97          HG2       GLU  97  -8.986  11.541  -1.200
  766   2HG   GLU  97          HG1       GLU  97  -8.803   9.948  -1.922
  767    H    VAL  98           HN       VAL  98  -8.687   9.668   2.255
  768    HA   VAL  98           HA       VAL  98  -7.936   7.391   3.867
  769    HB   VAL  98           HB       VAL  98  -6.891   9.643   4.101
  770   1HG1  VAL  98          HG11      VAL  98  -8.860  11.012   3.736
  771   2HG1  VAL  98          HG12      VAL  98  -8.091  11.426   5.269
  772   3HG1  VAL  98          HG13      VAL  98  -9.555  10.442   5.254
  773   1HG2  VAL  98          HG21      VAL  98  -6.699   8.077   5.935
  774   2HG2  VAL  98          HG22      VAL  98  -8.254   8.603   6.580
  775   3HG2  VAL  98          HG23      VAL  98  -6.886   9.714   6.563
  776    H    PHE  99           HN       PHE  99 -10.453   7.214   2.728
  777    HA   PHE  99           HA       PHE  99 -12.593   6.627   3.129
  778   1HB   PHE  99          HB2       PHE  99 -12.133   7.439   6.016
  779   2HB   PHE  99          HB1       PHE  99 -13.562   6.624   5.390
  780    HD1  PHE  99           HD1      PHE  99 -12.904   4.413   3.962
  781    HD2  PHE  99           HD2      PHE  99 -10.647   6.116   7.137
  782    HE1  PHE  99           HE1      PHE  99 -11.857   2.226   4.386
  783    HE2  PHE  99           HE2      PHE  99  -9.590   3.938   7.564
  784    HZ   PHE  99           HZ       PHE  99 -10.155   1.996   6.136
  785    H    LYS 100           HN       LYS 100 -11.728   9.402   5.103
  786    HA   LYS 100           HA       LYS 100 -12.495  11.534   5.308
  787   1HB   LYS 100          HB2       LYS 100 -12.272  12.806   3.200
  788   2HB   LYS 100          HB1       LYS 100 -10.933  11.705   3.489
  789   1HG   LYS 100          HG2       LYS 100 -11.266  11.144   1.349
  790   2HG   LYS 100          HG1       LYS 100 -12.542  10.126   2.025
  791   1HD   LYS 100          HD2       LYS 100 -13.933  12.383   1.749
  792   2HD   LYS 100          HD1       LYS 100 -12.724  12.655   0.501
  793   1HE   LYS 100          HE2       LYS 100 -13.297  10.415  -0.433
  794   2HE   LYS 100          HE1       LYS 100 -14.645  10.362   0.702
  795   1HZ   LYS 100          HZ1       LYS 100 -15.436  12.472  -0.316
  796   2HZ   LYS 100          HZ2       LYS 100 -15.447  11.154  -1.382
  797   3HZ   LYS 100          HZ3       LYS 100 -14.225  12.321  -1.493
  798    H    SER 101           HN       SER 101 -14.712   9.483   4.732
  799    HA   SER 101           HA       SER 101 -17.016  10.984   4.536
  800   1HB   SER 101          HB2       SER 101 -15.790  10.216   1.893
  801   2HB   SER 101          HB1       SER 101 -17.551  10.317   2.061
  802    HG   SER 101           HG       SER 101 -15.994  12.458   2.983
  803    H    SER 102           HN       SER 102 -16.121   8.278   2.455
  804    HA   SER 102           HA       SER 102 -16.257   6.036   2.636
  805   1HB   SER 102          HB2       SER 102 -15.362   6.257   4.893
  806   2HB   SER 102          HB1       SER 102 -16.981   6.545   5.528
  807    HG   SER 102           HG       SER 102 -16.533   4.403   5.848
  808    H    ILE 103           HN       ILE 103 -17.742   4.648   1.960
  809    HA   ILE 103           HA       ILE 103 -20.562   5.245   2.507
  810    HB   ILE 103           HB       ILE 103 -19.376   3.576   0.273
  811   1HG1  ILE 103          HG12      ILE 103 -20.643   5.424  -1.093
  812   2HG1  ILE 103          HG11      ILE 103 -20.474   6.365   0.384
  813   1HG2  ILE 103          HG21      ILE 103 -21.504   2.668   1.006
  814   2HG2  ILE 103          HG22      ILE 103 -21.668   3.416  -0.583
  815   3HG2  ILE 103          HG23      ILE 103 -22.254   4.257   0.853
  816   1HD1  ILE 103          HD11      ILE 103 -18.056   6.120   0.270
  817   2HD1  ILE 103          HD12      ILE 103 -18.698   6.853  -1.201
  818   3HD1  ILE 103          HD13      ILE 103 -18.217   5.156  -1.199
  Start of MODEL   11
    1   1H    MET   1           HT1      MET   1  13.126  12.611 -17.378
    2   2H    MET   1           HT2      MET   1  14.384  12.407 -16.259
    3   3H    MET   1           HT3      MET   1  13.200  13.593 -15.996
    4    HA   MET   1           HA       MET   1  11.509  11.906 -15.752
    5   1HB   MET   1          HB2       MET   1  12.760  10.273 -17.248
    6   2HB   MET   1          HB1       MET   1  13.776   9.913 -15.860
    7   1HG   MET   1          HG2       MET   1  12.077   8.239 -16.049
    8   2HG   MET   1          HG1       MET   1  11.772   9.210 -14.610
    9   1HE   MET   1          HE1       MET   1   9.292   8.287 -14.450
   10   2HE   MET   1          HE2       MET   1   9.572   7.281 -15.871
   11   3HE   MET   1          HE3       MET   1   8.146   8.315 -15.791
   12    H    ALA   2           HN       ALA   2  10.953  11.581 -13.645
   13    HA   ALA   2           HA       ALA   2  13.134  11.753 -11.666
   14   1HB   ALA   2          HB1       ALA   2  11.741  13.763 -11.682
   15   2HB   ALA   2          HB2       ALA   2  11.560  12.873 -10.169
   16   3HB   ALA   2          HB3       ALA   2  10.306  12.775 -11.405
   17    H    THR   3           HN       THR   3   9.988  10.350 -12.439
   18    HA   THR   3           HA       THR   3   9.923   8.672 -10.124
   19    HB   THR   3           HB       THR   3   8.330   8.297 -12.662
   20    HG1  THR   3           HG1      THR   3   6.781   9.665 -11.637
   21   1HG2  THR   3          HG21      THR   3   7.777   7.587  -9.778
   22   2HG2  THR   3          HG22      THR   3   8.174   6.456 -11.072
   23   3HG2  THR   3          HG23      THR   3   6.657   7.355 -11.119
   24    H    GLU   4           HN       GLU   4  11.865   7.503 -10.139
   25    HA   GLU   4           HA       GLU   4  12.302   5.632 -12.320
   26   1HB   GLU   4          HB2       GLU   4  14.295   4.934 -11.020
   27   2HB   GLU   4          HB1       GLU   4  14.284   6.651 -11.391
   28   1HG   GLU   4          HG2       GLU   4  13.610   7.178  -9.142
   29   2HG   GLU   4          HG1       GLU   4  13.454   5.464  -8.755
   30    HA   PRO   5           HA       PRO   5   9.905   2.496 -10.401
   31   1HB   PRO   5          HB2       PRO   5  11.362   0.484 -11.925
   32   2HB   PRO   5          HB1       PRO   5   9.705   1.053 -12.136
   33   1HG   PRO   5          HG2       PRO   5  11.676   1.584 -13.918
   34   2HG   PRO   5          HG1       PRO   5  10.313   2.683 -13.632
   35   1HD   PRO   5          HD2       PRO   5  13.118   2.829 -12.580
   36   2HD   PRO   5          HD1       PRO   5  12.082   4.130 -13.211
   37    HA   PRO   6           HA       PRO   6  12.740   0.759  -7.325
   38   1HB   PRO   6          HB2       PRO   6  10.386   0.316  -5.715
   39   2HB   PRO   6          HB1       PRO   6  11.693   1.470  -5.446
   40   1HG   PRO   6          HG2       PRO   6   9.128   2.186  -6.086
   41   2HG   PRO   6          HG1       PRO   6  10.552   3.181  -6.435
   42   1HD   PRO   6          HD2       PRO   6   9.004   1.378  -8.259
   43   2HD   PRO   6          HD1       PRO   6   9.713   2.976  -8.583
   44    H    LYS   7           HN       LYS   7  12.647  -1.368  -6.119
   45    HA   LYS   7           HA       LYS   7  11.380  -3.360  -7.883
   46   1HB   LYS   7          HB2       LYS   7  14.125  -3.130  -6.774
   47   2HB   LYS   7          HB1       LYS   7  13.425  -4.738  -6.760
   48   1HG   LYS   7          HG2       LYS   7  14.825  -4.289  -8.739
   49   2HG   LYS   7          HG1       LYS   7  13.165  -4.713  -9.144
   50   1HD   LYS   7          HD2       LYS   7  14.017  -2.881 -10.534
   51   2HD   LYS   7          HD1       LYS   7  12.639  -2.379  -9.557
   52   1HE   LYS   7          HE2       LYS   7  14.366  -0.659  -9.591
   53   2HE   LYS   7          HE1       LYS   7  14.147  -1.311  -7.968
   54   1HZ   LYS   7          HZ1       LYS   7  16.212  -2.131  -7.927
   55   2HZ   LYS   7          HZ2       LYS   7  16.516  -0.994  -9.149
   56   3HZ   LYS   7          HZ3       LYS   7  16.196  -2.612  -9.555
   57    H    ILE   8           HN       ILE   8   9.547  -3.593  -6.636
   58    HA   ILE   8           HA       ILE   8   9.917  -3.993  -3.780
   59    HB   ILE   8           HB       ILE   8   7.277  -3.790  -5.234
   60   1HG1  ILE   8          HG12      ILE   8   8.752  -1.806  -5.660
   61   2HG1  ILE   8          HG11      ILE   8   7.286  -1.416  -4.762
   62   1HG2  ILE   8          HG21      ILE   8   7.151  -4.712  -2.995
   63   2HG2  ILE   8          HG22      ILE   8   6.476  -3.082  -3.011
   64   3HG2  ILE   8          HG23      ILE   8   8.093  -3.361  -2.361
   65   1HD1  ILE   8          HD11      ILE   8   8.578  -1.384  -2.689
   66   2HD1  ILE   8          HD12      ILE   8   9.214  -0.239  -3.871
   67   3HD1  ILE   8          HD13      ILE   8  10.039  -1.775  -3.596
   68    H    VAL   9           HN       VAL   9   9.828  -5.923  -2.857
   69    HA   VAL   9           HA       VAL   9   9.098  -8.216  -4.552
   70    HB   VAL   9           HB       VAL   9  10.675  -8.279  -1.978
   71   1HG1  VAL   9          HG11      VAL   9  10.446 -10.260  -4.242
   72   2HG1  VAL   9          HG12      VAL   9   9.704 -10.407  -2.649
   73   3HG1  VAL   9          HG13      VAL   9  11.459 -10.443  -2.808
   74   1HG2  VAL   9          HG21      VAL   9  12.696  -8.391  -3.374
   75   2HG2  VAL   9          HG22      VAL   9  11.849  -6.851  -3.526
   76   3HG2  VAL   9          HG23      VAL   9  11.707  -8.064  -4.798
   77    H    TRP  10           HN       TRP  10   7.676  -9.774  -3.783
   78    HA   TRP  10           HA       TRP  10   5.943  -8.823  -1.654
   79   1HB   TRP  10          HB2       TRP  10   4.870  -9.416  -3.723
   80   2HB   TRP  10          HB1       TRP  10   5.609 -11.015  -3.703
   81    HD1  TRP  10           HD1      TRP  10   3.850  -9.426  -0.661
   82    HE1  TRP  10           HE1      TRP  10   1.821 -10.878  -0.053
   83    HE3  TRP  10           HE3      TRP  10   3.986 -12.711  -4.587
   84    HZ2  TRP  10           HZ2      TRP  10   0.445 -13.107  -1.097
   85    HZ3  TRP  10           HZ3      TRP  10   2.267 -14.470  -4.704
   86    HH2  TRP  10           HH2      TRP  10   0.536 -14.662  -2.995
   87    H    ASN  11           HN       ASN  11   6.551  -9.363   0.296
   88    HA   ASN  11           HA       ASN  11   7.871 -11.868   0.900
   89   1HB   ASN  11          HB2       ASN  11   8.312  -9.621   2.058
   90   2HB   ASN  11          HB1       ASN  11   6.758  -9.827   2.845
   91   1HD2  ASN  11          HD21      ASN  11   7.123 -12.740   3.174
   92   2HD2  ASN  11          HD22      ASN  11   8.280 -12.925   4.441
   93    H    GLU  12           HN       GLU  12   6.136 -13.109  -0.024
   94    HA   GLU  12           HA       GLU  12   3.463 -13.013   0.703
   95   1HB   GLU  12          HB2       GLU  12   3.345 -15.320  -0.207
   96   2HB   GLU  12          HB1       GLU  12   4.169 -14.183  -1.264
   97   1HG   GLU  12          HG2       GLU  12   6.327 -15.050  -0.486
   98   2HG   GLU  12          HG1       GLU  12   5.475 -16.213   0.531
   99    H    GLY  13           HN       GLY  13   6.150 -14.518   2.356
  100   1HA   GLY  13          HA2       GLY  13   4.716 -16.210   4.090
  101   2HA   GLY  13          HA1       GLY  13   6.272 -15.472   4.446
  102    H    LYS  14           HN       LYS  14   5.029 -12.767   4.023
  103    HA   LYS  14           HA       LYS  14   3.580 -12.577   6.586
  104   1HB   LYS  14          HB2       LYS  14   5.281 -10.432   5.303
  105   2HB   LYS  14          HB1       LYS  14   4.554 -10.389   6.904
  106   1HG   LYS  14          HG2       LYS  14   6.753 -12.233   5.999
  107   2HG   LYS  14          HG1       LYS  14   6.932 -10.817   7.036
  108   1HD   LYS  14          HD2       LYS  14   5.531 -11.869   8.733
  109   2HD   LYS  14          HD1       LYS  14   5.299 -13.272   7.687
  110   1HE   LYS  14          HE2       LYS  14   6.999 -13.765   9.333
  111   2HE   LYS  14          HE1       LYS  14   7.728 -13.672   7.727
  112   1HZ   LYS  14          HZ1       LYS  14   7.711 -11.384   9.620
  113   2HZ   LYS  14          HZ2       LYS  14   8.628 -11.558   8.202
  114   3HZ   LYS  14          HZ3       LYS  14   8.974 -12.516   9.558
  115    H    ARG  15           HN       ARG  15   3.171 -12.551   3.400
  116    HA   ARG  15           HA       ARG  15   1.751 -11.677   1.871
  117   1HB   ARG  15          HB2       ARG  15   0.118 -10.880   4.286
  118   2HB   ARG  15          HB1       ARG  15  -0.467 -11.022   2.634
  119   1HG   ARG  15          HG2       ARG  15   0.193 -13.454   2.739
  120   2HG   ARG  15          HG1       ARG  15   0.446 -13.207   4.470
  121   1HD   ARG  15          HD2       ARG  15  -1.780 -14.122   3.989
  122   2HD   ARG  15          HD1       ARG  15  -1.868 -12.526   4.735
  123    HE   ARG  15           HE       ARG  15  -2.436 -11.615   2.593
  124   1HH1  ARG  15          HH11      ARG  15  -2.397 -15.118   2.712
  125   2HH1  ARG  15          HH12      ARG  15  -3.473 -15.291   1.351
  126   1HH2  ARG  15          HH21      ARG  15  -3.836 -11.866   0.786
  127   2HH2  ARG  15          HH22      ARG  15  -4.276 -13.462   0.266
  128    H    ARG  16           HN       ARG  16   3.894  -9.997   2.733
  129    HA   ARG  16           HA       ARG  16   2.622  -7.353   2.475
  130   1HB   ARG  16          HB2       ARG  16   4.062  -6.423   4.060
  131   2HB   ARG  16          HB1       ARG  16   3.632  -7.972   4.754
  132   1HG   ARG  16          HG2       ARG  16   5.756  -8.906   4.061
  133   2HG   ARG  16          HG1       ARG  16   6.193  -7.372   3.300
  134   1HD   ARG  16          HD2       ARG  16   5.936  -6.278   5.525
  135   2HD   ARG  16          HD1       ARG  16   5.686  -7.874   6.228
  136    HE   ARG  16           HE       ARG  16   8.165  -7.337   4.756
  137   1HH1  ARG  16          HH11      ARG  16   6.528  -8.005   7.789
  138   2HH1  ARG  16          HH12      ARG  16   8.007  -8.295   8.655
  139   1HH2  ARG  16          HH21      ARG  16  10.099  -7.696   5.899
  140   2HH2  ARG  16          HH22      ARG  16  10.027  -8.139   7.585
  141    H    PHE  17           HN       PHE  17   4.081  -5.686   1.517
  142    HA   PHE  17           HA       PHE  17   5.903  -6.925  -0.438
  143   1HB   PHE  17          HB2       PHE  17   4.591  -4.203  -0.528
  144   2HB   PHE  17          HB1       PHE  17   5.698  -4.833  -1.736
  145    HD1  PHE  17           HD1      PHE  17   2.413  -4.173  -1.156
  146    HD2  PHE  17           HD2      PHE  17   4.904  -7.346  -2.509
  147    HE1  PHE  17           HE1      PHE  17   0.511  -5.143  -2.381
  148    HE2  PHE  17           HE2      PHE  17   3.008  -8.320  -3.735
  149    HZ   PHE  17           HZ       PHE  17   0.806  -7.213  -3.674
  150    H    GLU  18           HN       GLU  18   7.990  -6.262  -0.591
  151    HA   GLU  18           HA       GLU  18   8.951  -4.286   1.364
  152   1HB   GLU  18          HB2       GLU  18   9.148  -6.842   1.973
  153   2HB   GLU  18          HB1       GLU  18  10.477  -6.804   0.825
  154   1HG   GLU  18          HG2       GLU  18  11.687  -5.252   2.133
  155   2HG   GLU  18          HG1       GLU  18  10.299  -4.966   3.188
  156    H    THR  19           HN       THR  19  10.256  -2.838   0.473
  157    HA   THR  19           HA       THR  19  10.863  -2.871  -2.293
  158    HB   THR  19           HB       THR  19  10.712  -0.814  -0.819
  159    HG1  THR  19           HG1      THR  19  11.545  -0.507  -2.842
  160   1HG2  THR  19          HG21      THR  19  12.798  -0.081   0.288
  161   2HG2  THR  19          HG22      THR  19  13.493  -1.674  -0.023
  162   3HG2  THR  19          HG23      THR  19  12.096  -1.515   1.039
  163    H    GLU  20           HN       GLU  20  13.140  -2.676  -3.108
  164    HA   GLU  20           HA       GLU  20  14.508  -5.099  -2.720
  165   1HB   GLU  20          HB2       GLU  20  16.093  -4.189  -4.320
  166   2HB   GLU  20          HB1       GLU  20  14.451  -3.755  -4.803
  167   1HG   GLU  20          HG2       GLU  20  14.957  -1.586  -3.427
  168   2HG   GLU  20          HG1       GLU  20  16.633  -2.034  -3.755
  169    H    ASP  21           HN       ASP  21  14.403  -2.557  -0.744
  170    HA   ASP  21           HA       ASP  21  17.190  -2.742   0.144
  171   1HB   ASP  21          HB2       ASP  21  16.635  -0.517  -0.482
  172   2HB   ASP  21          HB1       ASP  21  15.105  -0.582   0.374
  173    H    HIS  22           HN       HIS  22  14.010  -3.561   0.875
  174    HA   HIS  22           HA       HIS  22  13.072  -4.813   2.505
  175   1HB   HIS  22          HB2       HIS  22  15.878  -5.034   3.616
  176   2HB   HIS  22          HB1       HIS  22  14.500  -6.008   4.115
  177    HD1  HIS  22           HD1      HIS  22  13.620  -7.778   2.385
  178    HD2  HIS  22           HD2      HIS  22  17.127  -5.826   1.285
  179    HE1  HIS  22           HE1      HIS  22  14.600  -9.139   0.502
  180    HE2  HIS  22           HE2      HIS  22  16.758  -7.977  -0.101
  181    H    GLU  23           HN       GLU  23  14.813  -1.988   3.287
  182    HA   GLU  23           HA       GLU  23  13.983  -1.834   6.035
  183   1HB   GLU  23          HB2       GLU  23  15.095   0.323   4.227
  184   2HB   GLU  23          HB1       GLU  23  14.982   0.390   5.980
  185   1HG   GLU  23          HG2       GLU  23  16.669  -1.534   4.387
  186   2HG   GLU  23          HG1       GLU  23  17.245  -0.105   5.255
  187    H    ALA  24           HN       ALA  24  12.659  -1.033   2.988
  188    HA   ALA  24           HA       ALA  24  10.454   0.416   4.293
  189   1HB   ALA  24          HB1       ALA  24  11.230   0.505   1.376
  190   2HB   ALA  24          HB2       ALA  24  11.622   1.746   2.567
  191   3HB   ALA  24          HB3       ALA  24   9.937   1.426   2.149
  192    H    PHE  25           HN       PHE  25   8.489  -0.501   4.249
  193    HA   PHE  25           HA       PHE  25   7.819  -2.532   2.328
  194   1HB   PHE  25          HB2       PHE  25   7.391  -4.293   4.014
  195   2HB   PHE  25          HB1       PHE  25   9.103  -3.915   3.849
  196    HD1  PHE  25           HD1      PHE  25   6.237  -3.980   6.056
  197    HD2  PHE  25           HD2      PHE  25  10.244  -2.605   5.632
  198    HE1  PHE  25           HE1      PHE  25   6.367  -3.619   8.486
  199    HE2  PHE  25           HE2      PHE  25  10.378  -2.237   8.061
  200    HZ   PHE  25           HZ       PHE  25   8.439  -2.745   9.490
  201    H    ILE  26           HN       ILE  26   5.660  -3.375   2.641
  202    HA   ILE  26           HA       ILE  26   3.986  -1.860   4.497
  203    HB   ILE  26           HB       ILE  26   3.950  -1.408   1.732
  204   1HG1  ILE  26          HG12      ILE  26   2.025  -0.788   3.963
  205   2HG1  ILE  26          HG11      ILE  26   3.339   0.208   3.349
  206   1HG2  ILE  26          HG21      ILE  26   2.699  -3.483   1.362
  207   2HG2  ILE  26          HG22      ILE  26   1.702  -2.072   1.014
  208   3HG2  ILE  26          HG23      ILE  26   1.477  -2.962   2.520
  209   1HD1  ILE  26          HD11      ILE  26   2.132   0.506   1.255
  210   2HD1  ILE  26          HD12      ILE  26   1.194   1.059   2.642
  211   3HD1  ILE  26          HD13      ILE  26   0.814  -0.487   1.880
  212    H    GLU  27           HN       GLU  27   2.552  -3.107   5.565
  213    HA   GLU  27           HA       GLU  27   2.545  -5.965   4.871
  214   1HB   GLU  27          HB2       GLU  27   3.205  -5.325   7.169
  215   2HB   GLU  27          HB1       GLU  27   1.643  -4.546   7.398
  216   1HG   GLU  27          HG2       GLU  27   0.551  -6.740   7.077
  217   2HG   GLU  27          HG1       GLU  27   2.145  -7.484   6.955
  218    H    TYR  28           HN       TYR  28   0.471  -7.122   4.821
  219    HA   TYR  28           HA       TYR  28  -1.925  -5.694   5.323
  220   1HB   TYR  28          HB2       TYR  28  -2.924  -5.672   3.133
  221   2HB   TYR  28          HB1       TYR  28  -1.407  -4.795   3.066
  222    HD1  TYR  28           HD1      TYR  28  -3.134  -7.894   2.065
  223    HD2  TYR  28           HD2      TYR  28   0.374  -5.522   1.650
  224    HE1  TYR  28           HE1      TYR  28  -2.466  -9.235   0.117
  225    HE2  TYR  28           HE2      TYR  28   1.055  -6.862  -0.295
  226    HH   TYR  28           HH       TYR  28   0.665  -9.034  -1.260
  227    H    LYS  29           HN       LYS  29  -3.748  -7.006   5.377
  228    HA   LYS  29           HA       LYS  29  -3.289  -9.864   4.922
  229   1HB   LYS  29          HB2       LYS  29  -4.481 -10.394   7.024
  230   2HB   LYS  29          HB1       LYS  29  -2.968  -9.548   7.312
  231   1HG   LYS  29          HG2       LYS  29  -5.463  -7.948   7.136
  232   2HG   LYS  29          HG1       LYS  29  -5.188  -8.921   8.581
  233   1HD   LYS  29          HD2       LYS  29  -3.206  -6.935   7.476
  234   2HD   LYS  29          HD1       LYS  29  -4.365  -6.570   8.755
  235   1HE   LYS  29          HE2       LYS  29  -3.382  -8.473  10.059
  236   2HE   LYS  29          HE1       LYS  29  -2.129  -8.588   8.828
  237   1HZ   LYS  29          HZ1       LYS  29  -1.306  -6.468   9.392
  238   2HZ   LYS  29          HZ2       LYS  29  -1.560  -7.267  10.864
  239   3HZ   LYS  29          HZ3       LYS  29  -2.665  -6.095  10.335
  240    H    MET  30           HN       MET  30  -5.230 -11.053   4.499
  241    HA   MET  30           HA       MET  30  -7.280  -9.301   3.384
  242   1HB   MET  30          HB2       MET  30  -8.032 -11.225   2.131
  243   2HB   MET  30          HB1       MET  30  -6.292 -11.082   1.965
  244   1HG   MET  30          HG2       MET  30  -5.967 -12.851   3.592
  245   2HG   MET  30          HG1       MET  30  -7.709 -12.968   3.818
  246   1HE   MET  30          HE1       MET  30  -6.942 -16.308   1.969
  247   2HE   MET  30          HE2       MET  30  -7.683 -15.551   3.378
  248   3HE   MET  30          HE3       MET  30  -5.933 -15.509   3.174
  249    H    ARG  31           HN       ARG  31  -9.034  -8.898   4.429
  250    HA   ARG  31           HA       ARG  31  -9.786 -10.477   6.777
  251   1HB   ARG  31          HB2       ARG  31 -10.476  -7.684   5.853
  252   2HB   ARG  31          HB1       ARG  31 -11.275  -8.460   7.211
  253   1HG   ARG  31          HG2       ARG  31  -9.327  -8.437   8.511
  254   2HG   ARG  31          HG1       ARG  31  -8.296  -8.127   7.112
  255   1HD   ARG  31          HD2       ARG  31  -8.718  -6.160   8.648
  256   2HD   ARG  31          HD1       ARG  31  -9.034  -5.895   6.937
  257    HE   ARG  31           HE       ARG  31 -11.383  -6.704   8.332
  258   1HH1  ARG  31          HH11      ARG  31  -9.295  -3.919   7.778
  259   2HH1  ARG  31          HH12      ARG  31 -10.588  -2.779   7.994
  260   1HH2  ARG  31          HH21      ARG  31 -13.045  -5.198   8.594
  261   2HH2  ARG  31          HH22      ARG  31 -12.718  -3.494   8.446
  262    H    ASN  32           HN       ASN  32 -11.986 -11.030   7.107
  263    HA   ASN  32           HA       ASN  32 -14.038 -11.813   6.550
  264   1HB   ASN  32          HB2       ASN  32 -14.286  -9.324   5.993
  265   2HB   ASN  32          HB1       ASN  32 -14.042  -9.788   4.314
  266   1HD2  ASN  32          HD21      ASN  32 -16.098  -9.131   3.713
  267   2HD2  ASN  32          HD22      ASN  32 -17.508 -10.036   4.137
  268    H    ASN  33           HN       ASN  33 -12.579 -13.690   5.746
  269    HA   ASN  33           HA       ASN  33 -12.285 -15.402   4.269
  270   1HB   ASN  33          HB2       ASN  33 -14.683 -14.094   2.987
  271   2HB   ASN  33          HB1       ASN  33 -13.981 -15.597   2.395
  272   1HD2  ASN  33          HD21      ASN  33 -15.800 -14.083   4.921
  273   2HD2  ASN  33          HD22      ASN  33 -16.311 -15.540   5.699
  274    H    GLY  34           HN       GLY  34 -11.192 -12.561   3.736
  275   1HA   GLY  34          HA2       GLY  34  -9.479 -11.926   2.315
  276   2HA   GLY  34          HA1       GLY  34  -9.832 -13.311   1.297
  277    H    LYS  35           HN       LYS  35 -12.397 -11.167   2.235
  278    HA   LYS  35           HA       LYS  35 -12.732 -10.373  -0.548
  279   1HB   LYS  35          HB2       LYS  35 -14.431  -9.597   1.834
  280   2HB   LYS  35          HB1       LYS  35 -14.849  -9.398   0.141
  281   1HG   LYS  35          HG2       LYS  35 -14.541 -12.007   1.611
  282   2HG   LYS  35          HG1       LYS  35 -16.053 -11.253   1.113
  283   1HD   LYS  35          HD2       LYS  35 -15.347 -11.468  -1.243
  284   2HD   LYS  35          HD1       LYS  35 -13.884 -12.298  -0.703
  285   1HE   LYS  35          HE2       LYS  35 -15.310 -14.011   0.376
  286   2HE   LYS  35          HE1       LYS  35 -16.730 -13.209  -0.292
  287   1HZ   LYS  35          HZ1       LYS  35 -15.864 -13.626  -2.515
  288   2HZ   LYS  35          HZ2       LYS  35 -16.069 -15.072  -1.656
  289   3HZ   LYS  35          HZ3       LYS  35 -14.516 -14.423  -1.860
  290    H    VAL  36           HN       VAL  36 -11.538  -9.160   2.419
  291    HA   VAL  36           HA       VAL  36 -11.215  -6.476   1.255
  292    HB   VAL  36           HB       VAL  36 -11.766  -7.279   4.119
  293   1HG1  VAL  36          HG11      VAL  36 -10.916  -4.565   3.088
  294   2HG1  VAL  36          HG12      VAL  36  -9.967  -5.623   4.133
  295   3HG1  VAL  36          HG13      VAL  36 -11.471  -4.916   4.725
  296   1HG2  VAL  36          HG21      VAL  36 -13.726  -7.010   2.723
  297   2HG2  VAL  36          HG22      VAL  36 -13.172  -5.416   2.208
  298   3HG2  VAL  36          HG23      VAL  36 -13.627  -5.693   3.890
  299    H    MET  37           HN       MET  37  -9.121  -5.926   0.916
  300    HA   MET  37           HA       MET  37  -7.059  -7.338   2.435
  301   1HB   MET  37          HB2       MET  37  -6.980  -5.602  -0.018
  302   2HB   MET  37          HB1       MET  37  -5.518  -5.913   0.910
  303   1HG   MET  37          HG2       MET  37  -5.988  -8.365   0.618
  304   2HG   MET  37          HG1       MET  37  -7.250  -7.903  -0.525
  305   1HE   MET  37          HE1       MET  37  -4.374  -9.266  -2.832
  306   2HE   MET  37          HE2       MET  37  -6.060  -9.443  -2.352
  307   3HE   MET  37          HE3       MET  37  -4.775  -9.849  -1.216
  308    H    ASP  38           HN       ASP  38  -6.443  -6.524   4.266
  309    HA   ASP  38           HA       ASP  38  -6.880  -3.696   4.839
  310   1HB   ASP  38          HB2       ASP  38  -7.548  -5.598   6.395
  311   2HB   ASP  38          HB1       ASP  38  -5.832  -5.864   6.678
  312    H    LEU  39           HN       LEU  39  -5.335  -2.448   4.096
  313    HA   LEU  39           HA       LEU  39  -2.612  -3.396   3.829
  314   1HB   LEU  39          HB2       LEU  39  -4.060  -0.892   3.014
  315   2HB   LEU  39          HB1       LEU  39  -2.306  -0.943   3.002
  316    HG   LEU  39           HG       LEU  39  -2.261  -2.603   1.325
  317   1HD1  LEU  39          HD11      LEU  39  -4.271  -3.600   0.353
  318   2HD1  LEU  39          HD12      LEU  39  -5.250  -2.805   1.588
  319   3HD1  LEU  39          HD13      LEU  39  -4.070  -4.032   2.050
  320   1HD2  LEU  39          HD21      LEU  39  -4.356  -0.534   0.685
  321   2HD2  LEU  39          HD22      LEU  39  -3.465  -1.481  -0.507
  322   3HD2  LEU  39          HD23      LEU  39  -2.607  -0.344   0.531
  323    H    VAL  40           HN       VAL  40  -1.254  -3.282   5.450
  324    HA   VAL  40           HA       VAL  40  -1.881  -1.401   7.624
  325    HB   VAL  40           HB       VAL  40  -0.525  -4.087   7.888
  326   1HG1  VAL  40          HG11      VAL  40   0.037  -2.499   9.641
  327   2HG1  VAL  40          HG12      VAL  40  -0.968  -3.804  10.271
  328   3HG1  VAL  40          HG13      VAL  40  -1.676  -2.220   9.953
  329   1HG2  VAL  40          HG21      VAL  40  -2.822  -4.383   7.137
  330   2HG2  VAL  40          HG22      VAL  40  -3.394  -3.357   8.453
  331   3HG2  VAL  40          HG23      VAL  40  -2.628  -4.908   8.807
  332    H    HIS  41           HN       HIS  41  -0.411   0.195   7.583
  333    HA   HIS  41           HA       HIS  41   1.519   1.110   8.316
  334   1HB   HIS  41          HB2       HIS  41   1.689  -1.107   9.600
  335   2HB   HIS  41          HB1       HIS  41   2.822  -1.592   8.347
  336    HD1  HIS  41           HD1      HIS  41   2.573   0.278  11.461
  337    HD2  HIS  41           HD2      HIS  41   5.193   0.092   8.242
  338    HE1  HIS  41           HE1      HIS  41   4.709   1.329  12.269
  339    HE2  HIS  41           HE2      HIS  41   6.358   0.911  10.407
  340    H    THR  42           HN       THR  42   2.081   2.289   6.602
  341    HA   THR  42           HA       THR  42   3.893   1.096   4.634
  342    HB   THR  42           HB       THR  42   2.226   2.527   3.620
  343    HG1  THR  42           HG1      THR  42   3.655   3.421   2.366
  344   1HG2  THR  42          HG21      THR  42   1.587   3.874   5.533
  345   2HG2  THR  42          HG22      THR  42   2.045   4.925   4.191
  346   3HG2  THR  42          HG23      THR  42   3.162   4.666   5.533
  347    H    TYR  43           HN       TYR  43   6.044   1.218   4.981
  348    HA   TYR  43           HA       TYR  43   7.035   3.491   6.534
  349   1HB   TYR  43          HB2       TYR  43   6.707   1.167   7.828
  350   2HB   TYR  43          HB1       TYR  43   8.303   0.876   7.135
  351    HD1  TYR  43           HD1      TYR  43   6.446   3.537   9.004
  352    HD2  TYR  43           HD2      TYR  43  10.143   1.554   8.309
  353    HE1  TYR  43           HE1      TYR  43   7.485   4.848  10.808
  354    HE2  TYR  43           HE2      TYR  43  11.192   2.853  10.104
  355    HH   TYR  43           HH       TYR  43  10.878   4.918  11.308
  356    H    VAL  44           HN       VAL  44   9.067   4.165   6.036
  357    HA   VAL  44           HA       VAL  44  10.671   2.736   4.095
  358    HB   VAL  44           HB       VAL  44   9.038   3.869   2.661
  359   1HG1  VAL  44          HG11      VAL  44   9.984   6.417   3.959
  360   2HG1  VAL  44          HG12      VAL  44   8.386   5.689   4.119
  361   3HG1  VAL  44          HG13      VAL  44   8.916   6.315   2.559
  362   1HG2  VAL  44          HG21      VAL  44  11.764   5.144   2.553
  363   2HG2  VAL  44          HG22      VAL  44  10.586   5.140   1.240
  364   3HG2  VAL  44          HG23      VAL  44  11.286   3.621   1.804
  365    HA   PRO  45           HA       PRO  45  13.779   4.793   6.554
  366   1HB   PRO  45          HB2       PRO  45  15.881   4.549   4.818
  367   2HB   PRO  45          HB1       PRO  45  15.312   3.245   5.865
  368   1HG   PRO  45          HG2       PRO  45  14.730   3.745   2.973
  369   2HG   PRO  45          HG1       PRO  45  15.100   2.217   3.792
  370   1HD   PRO  45          HD2       PRO  45  12.586   2.891   3.139
  371   2HD   PRO  45          HD1       PRO  45  12.952   2.000   4.630
  372    H    SER  46           HN       SER  46  15.290   6.579   6.441
  373    HA   SER  46           HA       SER  46  14.164   8.938   5.660
  374   1HB   SER  46          HB2       SER  46  16.476   9.894   5.924
  375   2HB   SER  46          HB1       SER  46  15.953   8.867   7.261
  376    HG   SER  46           HG       SER  46  17.726   7.804   6.881
  377    H    PHE  47           HN       PHE  47  16.428   6.983   3.820
  378    HA   PHE  47           HA       PHE  47  17.190   8.751   1.846
  379   1HB   PHE  47          HB2       PHE  47  16.742   5.774   1.593
  380   2HB   PHE  47          HB1       PHE  47  17.665   6.759   0.464
  381    HD1  PHE  47           HD1      PHE  47  17.688   4.990   3.608
  382    HD2  PHE  47           HD2      PHE  47  19.790   7.813   1.215
  383    HE1  PHE  47           HE1      PHE  47  19.715   4.615   4.953
  384    HE2  PHE  47           HE2      PHE  47  21.817   7.446   2.557
  385    HZ   PHE  47           HZ       PHE  47  21.784   5.842   4.426
  386    H    LYS  48           HN       LYS  48  14.143   7.024   2.131
  387    HA   LYS  48           HA       LYS  48  13.386   8.048  -0.522
  388   1HB   LYS  48          HB2       LYS  48  13.003   5.234   0.514
  389   2HB   LYS  48          HB1       LYS  48  12.247   5.858  -0.947
  390   1HG   LYS  48          HG2       LYS  48  14.259   6.001  -2.086
  391   2HG   LYS  48          HG1       LYS  48  15.214   5.988  -0.605
  392   1HD   LYS  48          HD2       LYS  48  13.627   3.645  -1.649
  393   2HD   LYS  48          HD1       LYS  48  15.357   3.877  -1.904
  394   1HE   LYS  48          HE2       LYS  48  15.398   4.084   0.713
  395   2HE   LYS  48          HE1       LYS  48  13.872   3.207   0.598
  396   1HZ   LYS  48          HZ1       LYS  48  16.501   2.316  -0.462
  397   2HZ   LYS  48          HZ2       LYS  48  15.038   1.495  -0.697
  398   3HZ   LYS  48          HZ3       LYS  48  15.675   1.663   0.874
  399    H    ARG  49           HN       ARG  49  12.714   8.801   2.335
  400    HA   ARG  49           HA       ARG  49  10.070   8.024   2.925
  401   1HB   ARG  49          HB2       ARG  49  11.528  10.560   3.688
  402   2HB   ARG  49          HB1       ARG  49  10.001  10.032   4.382
  403   1HG   ARG  49          HG2       ARG  49  11.095   8.019   5.241
  404   2HG   ARG  49          HG1       ARG  49  12.626   8.569   4.560
  405   1HD   ARG  49          HD2       ARG  49  12.680   9.167   6.838
  406   2HD   ARG  49          HD1       ARG  49  12.351  10.656   5.953
  407    HE   ARG  49           HE       ARG  49  10.049   9.202   6.993
  408   1HH1  ARG  49          HH11      ARG  49  12.278  11.864   7.326
  409   2HH1  ARG  49          HH12      ARG  49  11.310  12.717   8.489
  410   1HH2  ARG  49          HH21      ARG  49   8.762  10.283   8.531
  411   2HH2  ARG  49          HH22      ARG  49   9.302  11.798   9.191
  412    H    GLY  50           HN       GLY  50  11.191  11.142   1.590
  413   1HA   GLY  50          HA2       GLY  50   8.470  11.687   0.681
  414   2HA   GLY  50          HA1       GLY  50   9.814  12.821   0.685
  415    H    LEU  51           HN       LEU  51  10.128   9.606  -0.608
  416    HA   LEU  51           HA       LEU  51  10.716  10.780  -3.216
  417   1HB   LEU  51          HB2       LEU  51  12.312   9.194  -2.137
  418   2HB   LEU  51          HB1       LEU  51  11.091   7.942  -2.268
  419    HG   LEU  51           HG       LEU  51  11.158   8.186  -4.743
  420   1HD1  LEU  51          HD11      LEU  51  11.969  10.495  -4.838
  421   2HD1  LEU  51          HD12      LEU  51  13.004   9.409  -5.764
  422   3HD1  LEU  51          HD13      LEU  51  13.520   9.977  -4.176
  423   1HD2  LEU  51          HD21      LEU  51  13.308   7.056  -5.031
  424   2HD2  LEU  51          HD22      LEU  51  12.447   6.451  -3.615
  425   3HD2  LEU  51          HD23      LEU  51  13.795   7.571  -3.415
  426    H    GLY  52           HN       GLY  52   8.308   8.828  -1.633
  427   1HA   GLY  52          HA2       GLY  52   6.162   8.703  -2.899
  428   2HA   GLY  52          HA1       GLY  52   7.146   8.255  -4.285
  429    H    LEU  53           HN       LEU  53   8.859   6.654  -2.373
  430    HA   LEU  53           HA       LEU  53   7.963   4.182  -3.189
  431   1HB   LEU  53          HB2       LEU  53  10.248   4.858  -2.332
  432   2HB   LEU  53          HB1       LEU  53   9.604   4.674  -0.714
  433    HG   LEU  53           HG       LEU  53  10.979   2.740  -1.722
  434   1HD1  LEU  53          HD11      LEU  53   9.695   2.564   0.359
  435   2HD1  LEU  53          HD12      LEU  53   9.644   1.068  -0.574
  436   3HD1  LEU  53          HD13      LEU  53   8.253   2.154  -0.573
  437   1HD2  LEU  53          HD21      LEU  53   9.865   2.676  -3.880
  438   2HD2  LEU  53          HD22      LEU  53   8.336   2.287  -3.091
  439   3HD2  LEU  53          HD23      LEU  53   9.677   1.142  -3.032
  440    H    ALA  54           HN       ALA  54   7.423   5.750  -0.053
  441    HA   ALA  54           HA       ALA  54   6.187   3.749   1.346
  442   1HB   ALA  54          HB1       ALA  54   5.411   6.660   1.368
  443   2HB   ALA  54          HB2       ALA  54   6.750   5.945   2.268
  444   3HB   ALA  54          HB3       ALA  54   5.089   5.482   2.641
  445    H    SER  55           HN       SER  55   4.554   6.069  -0.823
  446    HA   SER  55           HA       SER  55   2.011   4.823  -0.551
  447   1HB   SER  55          HB2       SER  55   1.442   6.256  -2.567
  448   2HB   SER  55          HB1       SER  55   2.013   7.123  -1.143
  449    HG   SER  55           HG       SER  55   3.025   7.861  -3.044
  450    H    HIS  56           HN       HIS  56   4.703   4.463  -2.779
  451    HA   HIS  56           HA       HIS  56   3.381   2.992  -4.772
  452   1HB   HIS  56          HB2       HIS  56   6.236   3.164  -3.888
  453   2HB   HIS  56          HB1       HIS  56   5.765   1.921  -5.043
  454    HD1  HIS  56           HD1      HIS  56   5.947   2.616  -7.406
  455    HD2  HIS  56           HD2      HIS  56   5.339   5.864  -4.877
  456    HE1  HIS  56           HE1      HIS  56   5.985   4.655  -8.889
  457    HE2  HIS  56           HE2      HIS  56   5.350   6.561  -7.365
  458    H    LEU  57           HN       LEU  57   4.703   2.065  -1.676
  459    HA   LEU  57           HA       LEU  57   4.325  -0.721  -1.919
  460   1HB   LEU  57          HB2       LEU  57   4.172   1.015   0.552
  461   2HB   LEU  57          HB1       LEU  57   4.334  -0.729   0.539
  462    HG   LEU  57           HG       LEU  57   6.396   1.098  -0.679
  463   1HD1  LEU  57          HD11      LEU  57   6.193   1.643   1.677
  464   2HD1  LEU  57          HD12      LEU  57   7.686   0.750   1.381
  465   3HD1  LEU  57          HD13      LEU  57   6.297  -0.066   2.099
  466   1HD2  LEU  57          HD21      LEU  57   7.830  -0.880  -0.431
  467   2HD2  LEU  57          HD22      LEU  57   6.442  -1.201  -1.471
  468   3HD2  LEU  57          HD23      LEU  57   6.454  -1.790   0.192
  469    H    CYS  58           HN       CYS  58   2.240   1.902  -0.762
  470    HA   CYS  58           HA       CYS  58   0.051   0.240  -0.062
  471   1HB   CYS  58          HB2       CYS  58   0.308   2.511   0.829
  472   2HB   CYS  58          HB1       CYS  58   0.065   3.197  -0.783
  473    HG   CYS  58           HG       CYS  58  -2.532   1.450  -0.516
  474    H    VAL  59           HN       VAL  59   0.851   2.038  -2.987
  475    HA   VAL  59           HA       VAL  59  -1.506   1.477  -4.416
  476    HB   VAL  59           HB       VAL  59   1.284   2.127  -5.369
  477   1HG1  VAL  59          HG11      VAL  59   0.127   0.923  -7.143
  478   2HG1  VAL  59          HG12      VAL  59   0.286   2.630  -7.556
  479   3HG1  VAL  59          HG13      VAL  59  -1.261   2.000  -6.992
  480   1HG2  VAL  59          HG21      VAL  59   0.321   4.342  -5.807
  481   2HG2  VAL  59          HG22      VAL  59   0.200   3.895  -4.104
  482   3HG2  VAL  59          HG23      VAL  59  -1.220   3.797  -5.147
  483    H    ALA  60           HN       ALA  60   1.513  -0.314  -4.032
  484    HA   ALA  60           HA       ALA  60   1.045  -2.238  -6.036
  485   1HB   ALA  60          HB1       ALA  60   3.242  -1.908  -4.998
  486   2HB   ALA  60          HB2       ALA  60   2.728  -3.591  -4.893
  487   3HB   ALA  60          HB3       ALA  60   2.621  -2.546  -3.477
  488    H    ALA  61           HN       ALA  61  -0.081  -2.058  -2.669
  489    HA   ALA  61           HA       ALA  61  -1.176  -4.697  -2.727
  490   1HB   ALA  61          HB1       ALA  61  -2.333  -4.033  -0.682
  491   2HB   ALA  61          HB2       ALA  61  -1.837  -2.361  -0.943
  492   3HB   ALA  61          HB3       ALA  61  -0.623  -3.600  -0.626
  493    H    PHE  62           HN       PHE  62  -2.287  -1.460  -3.510
  494    HA   PHE  62           HA       PHE  62  -4.993  -1.990  -3.985
  495   1HB   PHE  62          HB2       PHE  62  -3.088  -0.010  -5.223
  496   2HB   PHE  62          HB1       PHE  62  -4.770  -0.118  -5.726
  497    HD1  PHE  62           HD1      PHE  62  -6.177  -0.502  -3.220
  498    HD2  PHE  62           HD2      PHE  62  -2.860   2.010  -4.120
  499    HE1  PHE  62           HE1      PHE  62  -6.861   1.046  -1.431
  500    HE2  PHE  62           HE2      PHE  62  -3.534   3.565  -2.323
  501    HZ   PHE  62           HZ       PHE  62  -5.537   3.070  -0.977
  502    H    GLU  63           HN       GLU  63  -2.233  -2.091  -6.219
  503    HA   GLU  63           HA       GLU  63  -3.542  -2.866  -8.538
  504   1HB   GLU  63          HB2       GLU  63  -0.852  -3.953  -7.705
  505   2HB   GLU  63          HB1       GLU  63  -1.444  -3.696  -9.337
  506   1HG   GLU  63          HG2       GLU  63  -1.401  -1.272  -8.938
  507   2HG   GLU  63          HG1       GLU  63  -0.739  -1.570  -7.336
  508    H    HIS  64           HN       HIS  64  -2.445  -4.766  -5.816
  509    HA   HIS  64           HA       HIS  64  -2.737  -7.300  -7.079
  510   1HB   HIS  64          HB2       HIS  64  -1.220  -6.737  -5.126
  511   2HB   HIS  64          HB1       HIS  64  -2.658  -6.755  -4.111
  512    HD1  HIS  64           HD1      HIS  64  -1.579  -8.775  -2.792
  513    HD2  HIS  64           HD2      HIS  64  -2.408  -9.540  -6.793
  514    HE1  HIS  64           HE1      HIS  64  -1.415 -11.267  -3.053
  515    HE2  HIS  64           HE2      HIS  64  -1.704 -11.681  -5.522
  516    H    ALA  65           HN       ALA  65  -4.676  -5.493  -4.706
  517    HA   ALA  65           HA       ALA  65  -6.710  -7.469  -4.537
  518   1HB   ALA  65          HB1       ALA  65  -7.995  -5.787  -3.343
  519   2HB   ALA  65          HB2       ALA  65  -6.832  -4.550  -3.824
  520   3HB   ALA  65          HB3       ALA  65  -6.336  -5.858  -2.751
  521    H    SER  66           HN       SER  66  -6.533  -4.321  -6.229
  522    HA   SER  66           HA       SER  66  -8.995  -4.348  -7.461
  523   1HB   SER  66          HB2       SER  66  -7.325  -2.496  -7.579
  524   2HB   SER  66          HB1       SER  66  -6.419  -3.435  -8.762
  525    HG   SER  66           HG       SER  66  -8.252  -3.351 -10.132
  526    H    SER  67           HN       SER  67  -6.029  -5.986  -8.573
  527    HA   SER  67           HA       SER  67  -7.101  -6.892 -11.024
  528   1HB   SER  67          HB2       SER  67  -4.669  -6.795 -10.518
  529   2HB   SER  67          HB1       SER  67  -4.871  -8.142  -9.399
  530    HG   SER  67           HG       SER  67  -4.916  -9.477 -11.027
  531    H    HIS  68           HN       HIS  68  -7.299  -8.136  -7.767
  532    HA   HIS  68           HA       HIS  68  -8.511 -10.630  -8.743
  533   1HB   HIS  68          HB2       HIS  68  -6.641 -10.577  -6.974
  534   2HB   HIS  68          HB1       HIS  68  -7.870  -9.977  -5.867
  535    HD1  HIS  68           HD1      HIS  68  -9.738 -11.661  -5.150
  536    HD2  HIS  68           HD2      HIS  68  -6.791 -13.289  -7.579
  537    HE1  HIS  68           HE1      HIS  68 -10.006 -14.151  -4.957
  538    HE2  HIS  68           HE2      HIS  68  -8.231 -15.125  -6.460
  539    H    SER  69           HN       SER  69  -9.613  -7.701  -8.338
  540    HA   SER  69           HA       SER  69 -11.617  -6.733  -7.908
  541   1HB   SER  69          HB2       SER  69 -12.595  -9.599  -7.901
  542   2HB   SER  69          HB1       SER  69 -13.624  -8.169  -8.009
  543    HG   SER  69           HG       SER  69 -11.830  -9.237  -9.899
  544    H    ILE  70           HN       ILE  70  -9.898  -7.275  -5.716
  545    HA   ILE  70           HA       ILE  70 -11.691  -7.990  -3.514
  546    HB   ILE  70           HB       ILE  70  -8.683  -7.578  -3.570
  547   1HG1  ILE  70          HG12      ILE  70 -10.378 -10.079  -3.330
  548   2HG1  ILE  70          HG11      ILE  70  -9.404  -9.612  -4.719
  549   1HG2  ILE  70          HG21      ILE  70  -9.578  -6.966  -1.392
  550   2HG2  ILE  70          HG22      ILE  70  -8.693  -8.487  -1.289
  551   3HG2  ILE  70          HG23      ILE  70 -10.456  -8.494  -1.300
  552   1HD1  ILE  70          HD11      ILE  70  -8.376 -10.327  -1.983
  553   2HD1  ILE  70          HD12      ILE  70  -7.383  -9.813  -3.345
  554   3HD1  ILE  70          HD13      ILE  70  -8.287 -11.326  -3.434
  555    H    SER  71           HN       SER  71 -12.123  -6.561  -1.820
  556    HA   SER  71           HA       SER  71 -11.655  -3.747  -2.422
  557   1HB   SER  71          HB2       SER  71 -13.215  -3.382  -0.451
  558   2HB   SER  71          HB1       SER  71 -13.929  -4.225  -1.823
  559    HG   SER  71           HG       SER  71 -12.852  -6.039  -0.187
  560    H    ILE  72           HN       ILE  72 -11.029  -2.344  -0.446
  561    HA   ILE  72           HA       ILE  72  -8.903  -3.740   1.051
  562    HB   ILE  72           HB       ILE  72  -8.559  -1.416  -0.861
  563   1HG1  ILE  72          HG12      ILE  72  -7.335  -4.153  -0.625
  564   2HG1  ILE  72          HG11      ILE  72  -8.282  -3.498  -1.958
  565   1HG2  ILE  72          HG21      ILE  72  -6.239  -1.196  -0.105
  566   2HG2  ILE  72          HG22      ILE  72  -6.575  -2.313   1.219
  567   3HG2  ILE  72          HG23      ILE  72  -7.401  -0.755   1.148
  568   1HD1  ILE  72          HD11      ILE  72  -5.535  -2.577  -1.154
  569   2HD1  ILE  72          HD12      ILE  72  -6.483  -1.982  -2.515
  570   3HD1  ILE  72          HD13      ILE  72  -5.915  -3.649  -2.501
  571    H    ILE  73           HN       ILE  73  -8.207  -2.691   2.911
  572    HA   ILE  73           HA       ILE  73  -9.460  -0.134   3.660
  573    HB   ILE  73           HB       ILE  73  -9.191  -2.604   5.395
  574   1HG1  ILE  73          HG12      ILE  73 -11.243  -2.473   4.060
  575   2HG1  ILE  73          HG11      ILE  73 -11.600  -2.277   5.774
  576   1HG2  ILE  73          HG21      ILE  73  -9.936  -1.216   7.287
  577   2HG2  ILE  73          HG22      ILE  73  -9.815   0.219   6.269
  578   3HG2  ILE  73          HG23      ILE  73  -8.364  -0.707   6.664
  579   1HD1  ILE  73          HD11      ILE  73 -12.904  -0.749   4.394
  580   2HD1  ILE  73          HD12      ILE  73 -11.417  -0.052   3.751
  581   3HD1  ILE  73          HD13      ILE  73 -11.807   0.128   5.462
  582    HA   PRO  74           HA       PRO  74  -5.038   0.281   4.161
  583   1HB   PRO  74          HB2       PRO  74  -5.043   2.988   3.607
  584   2HB   PRO  74          HB1       PRO  74  -5.006   1.702   2.400
  585   1HG   PRO  74          HG2       PRO  74  -7.121   3.564   2.948
  586   2HG   PRO  74          HG1       PRO  74  -7.071   2.294   1.717
  587   1HD   PRO  74          HD2       PRO  74  -8.363   2.290   4.373
  588   2HD   PRO  74          HD1       PRO  74  -8.714   1.300   2.941
  589    H    SER  75           HN       SER  75  -4.687  -0.007   6.361
  590    HA   SER  75           HA       SER  75  -4.994   2.106   8.279
  591   1HB   SER  75          HB2       SER  75  -4.691  -0.244   8.978
  592   2HB   SER  75          HB1       SER  75  -3.090  -0.263   8.242
  593    HG   SER  75           HG       SER  75  -3.836   0.601  10.688
  594    H    CYS  76           HN       CYS  76  -2.847   1.300   5.774
  595    HA   CYS  76           HA       CYS  76  -0.699   3.039   6.164
  596   1HB   CYS  76          HB2       CYS  76  -1.908   2.403   3.474
  597   2HB   CYS  76          HB1       CYS  76  -0.239   2.790   3.856
  598    HG   CYS  76           HG       CYS  76   0.564   0.414   4.479
  599    H    SER  77           HN       SER  77  -3.404   4.186   6.769
  600    HA   SER  77           HA       SER  77  -4.611   5.709   4.873
  601   1HB   SER  77          HB2       SER  77  -4.359   6.579   7.741
  602   2HB   SER  77          HB1       SER  77  -5.728   6.798   6.652
  603    HG   SER  77           HG       SER  77  -5.684   4.338   6.641
  604    H    TYR  78           HN       TYR  78  -1.542   6.533   6.350
  605    HA   TYR  78           HA       TYR  78  -1.487   9.273   5.799
  606   1HB   TYR  78          HB2       TYR  78   0.545   8.786   6.694
  607   2HB   TYR  78          HB1       TYR  78   0.504   7.130   6.107
  608    HD1  TYR  78           HD1      TYR  78   1.271  10.615   5.124
  609    HD2  TYR  78           HD2      TYR  78   1.783   6.494   4.202
  610    HE1  TYR  78           HE1      TYR  78   2.971  11.216   3.458
  611    HE2  TYR  78           HE2      TYR  78   3.482   7.079   2.525
  612    HH   TYR  78           HH       TYR  78   4.102   9.021   1.132
  613    H    VAL  79           HN       VAL  79  -0.894   6.484   3.715
  614    HA   VAL  79           HA       VAL  79  -0.483   7.913   1.312
  615    HB   VAL  79           HB       VAL  79  -1.513   5.098   1.701
  616   1HG1  VAL  79          HG11      VAL  79  -0.323   6.408  -0.745
  617   2HG1  VAL  79          HG12      VAL  79  -2.015   5.961  -0.528
  618   3HG1  VAL  79          HG13      VAL  79  -0.775   4.710  -0.596
  619   1HG2  VAL  79          HG21      VAL  79   0.808   4.424   1.260
  620   2HG2  VAL  79          HG22      VAL  79   0.661   5.392   2.727
  621   3HG2  VAL  79          HG23      VAL  79   1.288   6.121   1.247
  622    H    SER  80           HN       SER  80  -3.355   6.384   2.742
  623    HA   SER  80           HA       SER  80  -4.971   6.775   0.452
  624   1HB   SER  80          HB2       SER  80  -6.869   6.204   1.893
  625   2HB   SER  80          HB1       SER  80  -5.516   5.110   2.174
  626    HG   SER  80           HG       SER  80  -6.639   7.025   3.836
  627    H    ASP  81           HN       ASP  81  -4.325   8.761   3.246
  628    HA   ASP  81           HA       ASP  81  -6.488  10.556   2.971
  629   1HB   ASP  81          HB2       ASP  81  -5.387  10.540   5.063
  630   2HB   ASP  81          HB1       ASP  81  -3.797  10.729   4.334
  631    H    THR  82           HN       THR  82  -3.046  10.901   1.999
  632    HA   THR  82           HA       THR  82  -3.743  13.314   0.535
  633    HB   THR  82           HB       THR  82  -1.701  13.495   1.744
  634    HG1  THR  82           HG1      THR  82  -1.704  14.445  -0.365
  635   1HG2  THR  82          HG21      THR  82  -1.131  11.135   1.960
  636   2HG2  THR  82          HG22      THR  82   0.242  12.054   1.343
  637   3HG2  THR  82          HG23      THR  82  -0.721  11.063   0.246
  638    H    PHE  83           HN       PHE  83  -2.433  10.099  -0.234
  639    HA   PHE  83           HA       PHE  83  -1.992  10.771  -2.967
  640   1HB   PHE  83          HB2       PHE  83  -1.937   8.116  -1.547
  641   2HB   PHE  83          HB1       PHE  83  -1.389   8.395  -3.195
  642    HD1  PHE  83           HD1      PHE  83  -0.096   7.751  -0.215
  643    HD2  PHE  83           HD2      PHE  83   0.057  10.883  -3.099
  644    HE1  PHE  83           HE1      PHE  83   2.126   8.393   0.616
  645    HE2  PHE  83           HE2      PHE  83   2.293  11.517  -2.277
  646    HZ   PHE  83           HZ       PHE  83   3.268  10.417  -0.381
  647    H    LEU  84           HN       LEU  84  -4.590   9.065  -1.315
  648    HA   LEU  84           HA       LEU  84  -5.639   7.904  -3.677
  649   1HB   LEU  84          HB2       LEU  84  -6.646   8.278  -0.907
  650   2HB   LEU  84          HB1       LEU  84  -7.781   7.787  -2.150
  651    HG   LEU  84           HG       LEU  84  -5.276   6.342  -1.279
  652   1HD1  LEU  84          HD11      LEU  84  -8.169   5.535  -1.230
  653   2HD1  LEU  84          HD12      LEU  84  -7.200   6.004   0.167
  654   3HD1  LEU  84          HD13      LEU  84  -6.805   4.537  -0.731
  655   1HD2  LEU  84          HD21      LEU  84  -5.849   4.652  -2.948
  656   2HD2  LEU  84          HD22      LEU  84  -5.454   6.204  -3.687
  657   3HD2  LEU  84          HD23      LEU  84  -7.137   5.694  -3.551
  658    HA   PRO  85           HA       PRO  85  -8.530  11.803  -3.908
  659   1HB   PRO  85          HB2       PRO  85  -6.805  13.799  -2.592
  660   2HB   PRO  85          HB1       PRO  85  -8.555  13.583  -2.490
  661   1HG   PRO  85          HG2       PRO  85  -6.937  12.952  -0.449
  662   2HG   PRO  85          HG1       PRO  85  -8.402  12.023  -0.806
  663   1HD   PRO  85          HD2       PRO  85  -5.538  11.347  -1.385
  664   2HD   PRO  85          HD1       PRO  85  -6.878  10.298  -0.869
  665    H    ARG  86           HN       ARG  86  -5.057  11.784  -3.828
  666    HA   ARG  86           HA       ARG  86  -4.638  13.633  -5.964
  667   1HB   ARG  86          HB2       ARG  86  -2.921  13.198  -4.297
  668   2HB   ARG  86          HB1       ARG  86  -2.868  11.503  -4.753
  669   1HG   ARG  86          HG2       ARG  86  -1.934  12.073  -6.906
  670   2HG   ARG  86          HG1       ARG  86  -2.083  13.797  -6.540
  671   1HD   ARG  86          HD2       ARG  86  -0.528  13.589  -4.710
  672   2HD   ARG  86          HD1       ARG  86  -0.459  11.842  -4.921
  673    HE   ARG  86           HE       ARG  86   0.489  12.473  -7.228
  674   1HH1  ARG  86          HH11      ARG  86   0.945  14.376  -4.323
  675   2HH1  ARG  86          HH12      ARG  86   2.558  14.879  -4.743
  676   1HH2  ARG  86          HH21      ARG  86   2.623  13.120  -7.786
  677   2HH2  ARG  86          HH22      ARG  86   3.501  14.171  -6.715
  678    H    ASN  87           HN       ASN  87  -4.633  10.099  -5.699
  679    HA   ASN  87           HA       ASN  87  -5.123   9.937  -8.605
  680   1HB   ASN  87          HB2       ASN  87  -3.582   8.013  -6.845
  681   2HB   ASN  87          HB1       ASN  87  -4.079   7.649  -8.492
  682   1HD2  ASN  87          HD21      ASN  87  -1.913   9.412  -6.479
  683   2HD2  ASN  87          HD22      ASN  87  -0.870   9.981  -7.737
  684    HA   PRO  88           HA       PRO  88  -8.751   8.244  -6.364
  685   1HB   PRO  88          HB2       PRO  88 -10.328   9.435  -8.494
  686   2HB   PRO  88          HB1       PRO  88 -10.342   9.805  -6.770
  687   1HG   PRO  88          HG2       PRO  88  -9.402  11.530  -8.644
  688   2HG   PRO  88          HG1       PRO  88  -8.777  11.472  -6.985
  689   1HD   PRO  88          HD2       PRO  88  -7.630  10.278  -9.488
  690   2HD   PRO  88          HD1       PRO  88  -6.805  11.140  -8.168
  691    H    SER  89           HN       SER  89  -7.556   6.297  -7.409
  692    HA   SER  89           HA       SER  89  -9.371   5.201  -9.453
  693   1HB   SER  89          HB2       SER  89  -7.208   5.861 -10.489
  694   2HB   SER  89          HB1       SER  89  -6.370   4.782  -9.376
  695    HG   SER  89           HG       SER  89  -7.753   3.087 -10.285
  696    H    TRP  90           HN       TRP  90  -8.646   4.970  -6.360
  697    HA   TRP  90           HA       TRP  90  -8.647   2.025  -6.364
  698   1HB   TRP  90          HB2       TRP  90  -7.273   3.667  -4.243
  699   2HB   TRP  90          HB1       TRP  90  -7.116   1.942  -4.559
  700    HD1  TRP  90           HD1      TRP  90  -5.391   5.112  -5.153
  701    HE1  TRP  90           HE1      TRP  90  -3.557   4.860  -6.922
  702    HE3  TRP  90           HE3      TRP  90  -6.729   0.564  -7.071
  703    HZ2  TRP  90           HZ2      TRP  90  -2.767   2.987  -8.886
  704    HZ3  TRP  90           HZ3      TRP  90  -5.381  -0.384  -8.900
  705    HH2  TRP  90           HH2      TRP  90  -3.444   0.804  -9.786
  706    H    LYS  91           HN       LYS  91 -10.471   4.521  -5.932
  707    HA   LYS  91           HA       LYS  91 -11.587   4.278  -3.364
  708   1HB   LYS  91          HB2       LYS  91 -12.799   5.280  -5.941
  709   2HB   LYS  91          HB1       LYS  91 -13.532   5.469  -4.354
  710   1HG   LYS  91          HG2       LYS  91 -11.756   6.872  -3.613
  711   2HG   LYS  91          HG1       LYS  91 -10.809   6.528  -5.061
  712   1HD   LYS  91          HD2       LYS  91 -11.845   8.723  -5.210
  713   2HD   LYS  91          HD1       LYS  91 -12.505   7.637  -6.434
  714   1HE   LYS  91          HE2       LYS  91 -14.454   7.230  -4.973
  715   2HE   LYS  91          HE1       LYS  91 -13.796   8.382  -3.811
  716   1HZ   LYS  91          HZ1       LYS  91 -14.473   9.055  -6.621
  717   2HZ   LYS  91          HZ2       LYS  91 -14.013  10.135  -5.399
  718   3HZ   LYS  91          HZ3       LYS  91 -15.501   9.332  -5.303
  719    HA   PRO  92           HA       PRO  92 -14.710   1.162  -5.555
  720   1HB   PRO  92          HB2       PRO  92 -12.814  -0.068  -7.466
  721   2HB   PRO  92          HB1       PRO  92 -14.535   0.284  -7.655
  722   1HG   PRO  92          HG2       PRO  92 -12.714   1.773  -8.885
  723   2HG   PRO  92          HG1       PRO  92 -14.160   2.513  -8.173
  724   1HD   PRO  92          HD2       PRO  92 -11.358   2.424  -7.118
  725   2HD   PRO  92          HD1       PRO  92 -12.521   3.766  -7.116
  726    H    LEU  93           HN       LEU  93 -11.509   0.923  -4.534
  727    HA   LEU  93           HA       LEU  93 -11.773  -1.902  -3.823
  728   1HB   LEU  93          HB2       LEU  93  -9.402  -0.099  -3.374
  729   2HB   LEU  93          HB1       LEU  93  -9.434  -1.854  -3.338
  730    HG   LEU  93           HG       LEU  93  -9.923  -0.178  -5.790
  731   1HD1  LEU  93          HD11      LEU  93  -7.478  -1.724  -4.926
  732   2HD1  LEU  93          HD12      LEU  93  -7.619   0.032  -5.037
  733   3HD1  LEU  93          HD13      LEU  93  -7.700  -0.956  -6.498
  734   1HD2  LEU  93          HD21      LEU  93  -9.545  -3.154  -5.446
  735   2HD2  LEU  93          HD22      LEU  93  -9.700  -2.305  -6.985
  736   3HD2  LEU  93          HD23      LEU  93 -11.053  -2.333  -5.854
  737    H    ILE  94           HN       ILE  94 -10.740   1.141  -2.274
  738    HA   ILE  94           HA       ILE  94 -11.487   0.002   0.301
  739    HB   ILE  94           HB       ILE  94 -10.331   1.774   1.351
  740   1HG1  ILE  94          HG12      ILE  94  -9.733   3.249  -1.177
  741   2HG1  ILE  94          HG11      ILE  94 -11.299   3.502  -0.402
  742   1HG2  ILE  94          HG21      ILE  94  -8.115   1.729   0.316
  743   2HG2  ILE  94          HG22      ILE  94  -8.824   1.067  -1.157
  744   3HG2  ILE  94          HG23      ILE  94  -8.868   0.134   0.339
  745   1HD1  ILE  94          HD11      ILE  94 -10.174   4.129   1.663
  746   2HD1  ILE  94          HD12      ILE  94  -9.673   5.157   0.320
  747   3HD1  ILE  94          HD13      ILE  94  -8.610   3.871   0.893
  748    H    HIS  95           HN       HIS  95 -12.145   2.514   1.546
  749    HA   HIS  95           HA       HIS  95 -14.850   2.815   0.643
  750   1HB   HIS  95          HB2       HIS  95 -13.259   4.022   2.895
  751   2HB   HIS  95          HB1       HIS  95 -14.887   4.592   2.507
  752    HD1  HIS  95           HD1      HIS  95 -14.654   3.341   5.236
  753    HD2  HIS  95           HD2      HIS  95 -15.332   1.068   1.814
  754    HE1  HIS  95           HE1      HIS  95 -15.677   1.191   6.035
  755    HE2  HIS  95           HE2      HIS  95 -16.102  -0.163   3.951
  756    H    SER  96           HN       SER  96 -12.434   5.448   1.238
  757    HA   SER  96           HA       SER  96 -12.392   6.069  -1.586
  758   1HB   SER  96          HB2       SER  96 -13.553   8.113   0.335
  759   2HB   SER  96          HB1       SER  96 -13.145   8.412  -1.350
  760    HG   SER  96           HG       SER  96 -14.734   6.276  -1.233
  761    H    GLU  97           HN       GLU  97 -11.737   7.488   1.611
  762    HA   GLU  97           HA       GLU  97  -8.957   7.885   0.887
  763   1HB   GLU  97          HB2       GLU  97 -10.145   9.928   0.255
  764   2HB   GLU  97          HB1       GLU  97 -10.837  10.051   1.869
  765   1HG   GLU  97          HG2       GLU  97  -8.209  10.057   2.462
  766   2HG   GLU  97          HG1       GLU  97  -8.176  10.807   0.865
  767    H    VAL  98           HN       VAL  98  -8.582   9.453   3.425
  768    HA   VAL  98           HA       VAL  98  -8.239   7.175   5.098
  769    HB   VAL  98           HB       VAL  98  -6.598   8.962   5.151
  770   1HG1  VAL  98          HG11      VAL  98  -7.089  11.119   6.201
  771   2HG1  VAL  98          HG12      VAL  98  -8.790  10.665   6.322
  772   3HG1  VAL  98          HG13      VAL  98  -8.041  10.867   4.738
  773   1HG2  VAL  98          HG21      VAL  98  -8.056   8.672   7.775
  774   2HG2  VAL  98          HG22      VAL  98  -6.400   9.247   7.581
  775   3HG2  VAL  98          HG23      VAL  98  -6.816   7.590   7.139
  776    H    PHE  99           HN       PHE  99 -10.532   9.897   5.124
  777    HA   PHE  99           HA       PHE  99 -12.414   8.713   6.805
  778   1HB   PHE  99          HB2       PHE  99 -10.305   9.063   8.362
  779   2HB   PHE  99          HB1       PHE  99 -10.853  10.734   8.390
  780    HD1  PHE  99           HD1      PHE  99 -11.760   7.270   9.287
  781    HD2  PHE  99           HD2      PHE  99 -12.734  11.396   9.656
  782    HE1  PHE  99           HE1      PHE  99 -13.359   6.729  11.077
  783    HE2  PHE  99           HE2      PHE  99 -14.338  10.861  11.442
  784    HZ   PHE  99           HZ       PHE  99 -14.623   8.480  12.169
  785    H    LYS 100           HN       LYS 100 -11.778  10.611   4.544
  786    HA   LYS 100           HA       LYS 100 -12.646  13.224   5.149
  787   1HB   LYS 100          HB2       LYS 100 -13.129  13.378   2.718
  788   2HB   LYS 100          HB1       LYS 100 -11.543  12.682   3.035
  789   1HG   LYS 100          HG2       LYS 100 -12.073  10.881   1.864
  790   2HG   LYS 100          HG1       LYS 100 -13.451  10.573   2.922
  791   1HD   LYS 100          HD2       LYS 100 -14.657  12.359   1.512
  792   2HD   LYS 100          HD1       LYS 100 -13.349  12.105   0.360
  793   1HE   LYS 100          HE2       LYS 100 -13.884   9.713   0.295
  794   2HE   LYS 100          HE1       LYS 100 -15.215   9.994   1.413
  795   1HZ   LYS 100          HZ1       LYS 100 -16.189  11.498  -0.269
  796   2HZ   LYS 100          HZ2       LYS 100 -16.063   9.896  -0.802
  797   3HZ   LYS 100          HZ3       LYS 100 -14.955  11.054  -1.348
  798    H    SER 101           HN       SER 101 -14.246  10.259   4.593
  799    HA   SER 101           HA       SER 101 -16.821  11.212   5.353
  800   1HB   SER 101          HB2       SER 101 -16.853  11.995   3.078
  801   2HB   SER 101          HB1       SER 101 -16.206  10.457   2.501
  802    HG   SER 101           HG       SER 101 -18.372   9.786   3.748
  803    H    SER 102           HN       SER 102 -14.513   9.036   5.384
  804    HA   SER 102           HA       SER 102 -16.115   6.657   4.840
  805   1HB   SER 102          HB2       SER 102 -13.119   6.871   5.211
  806   2HB   SER 102          HB1       SER 102 -14.017   5.497   4.563
  807    HG   SER 102           HG       SER 102 -14.760   7.220   2.940
  808    H    ILE 103           HN       ILE 103 -16.559   5.206   6.403
  809    HA   ILE 103           HA       ILE 103 -15.307   5.588   9.036
  810    HB   ILE 103           HB       ILE 103 -17.388   4.647  10.032
  811   1HG1  ILE 103          HG12      ILE 103 -18.540   5.089   7.266
  812   2HG1  ILE 103          HG11      ILE 103 -18.210   3.515   7.981
  813   1HG2  ILE 103          HG21      ILE 103 -17.005   7.032  10.061
  814   2HG2  ILE 103          HG22      ILE 103 -18.719   6.707   9.803
  815   3HG2  ILE 103          HG23      ILE 103 -17.700   7.192   8.448
  816   1HD1  ILE 103          HD11      ILE 103 -20.557   4.045   8.135
  817   2HD1  ILE 103          HD12      ILE 103 -20.188   5.549   8.978
  818   3HD1  ILE 103          HD13      ILE 103 -19.840   3.999   9.745
  Start of MODEL   12
    1   1H    MET   1           HT1      MET   1  17.009   7.149  -9.204
    2   2H    MET   1           HT2      MET   1  18.138   7.715 -10.335
    3   3H    MET   1           HT3      MET   1  16.504   8.152 -10.477
    4    HA   MET   1           HA       MET   1  18.294   8.879  -8.246
    5   1HB   MET   1          HB2       MET   1  17.940  11.237  -9.243
    6   2HB   MET   1          HB1       MET   1  19.107  10.160  -9.993
    7   1HG   MET   1          HG2       MET   1  17.427   9.572 -11.694
    8   2HG   MET   1          HG1       MET   1  16.317  10.728 -10.964
    9   1HE   MET   1          HE1       MET   1  20.282  11.874 -13.036
   10   2HE   MET   1          HE2       MET   1  19.658  10.226 -12.942
   11   3HE   MET   1          HE3       MET   1  20.228  11.039 -11.484
   12    H    ALA   2           HN       ALA   2  15.469  10.549  -9.705
   13    HA   ALA   2           HA       ALA   2  14.317  10.556  -6.991
   14   1HB   ALA   2          HB1       ALA   2  13.082  12.541  -7.650
   15   2HB   ALA   2          HB2       ALA   2  13.723  12.419  -9.289
   16   3HB   ALA   2          HB3       ALA   2  14.807  12.769  -7.943
   17    H    THR   3           HN       THR   3  13.140  10.586 -10.371
   18    HA   THR   3           HA       THR   3  10.776   9.098  -9.515
   19    HB   THR   3           HB       THR   3  11.452  10.099 -12.294
   20    HG1  THR   3           HG1      THR   3  10.060  11.306 -10.120
   21   1HG2  THR   3          HG21      THR   3   9.749   8.336 -12.232
   22   2HG2  THR   3          HG22      THR   3   9.043   9.888 -12.680
   23   3HG2  THR   3          HG23      THR   3   8.828   9.262 -11.046
   24    H    GLU   4           HN       GLU   4  12.231   7.334  -8.929
   25    HA   GLU   4           HA       GLU   4  13.210   5.785 -11.218
   26   1HB   GLU   4          HB2       GLU   4  14.741   6.545  -9.295
   27   2HB   GLU   4          HB1       GLU   4  13.919   5.331  -8.329
   28   1HG   GLU   4          HG2       GLU   4  14.777   3.573  -9.595
   29   2HG   GLU   4          HG1       GLU   4  15.216   4.635 -10.935
   30    HA   PRO   5           HA       PRO   5   9.733   3.089 -10.485
   31   1HB   PRO   5          HB2       PRO   5  10.589   1.083 -12.146
   32   2HB   PRO   5          HB1       PRO   5   9.757   2.538 -12.702
   33   1HG   PRO   5          HG2       PRO   5  12.677   1.910 -12.701
   34   2HG   PRO   5          HG1       PRO   5  11.706   2.729 -13.938
   35   1HD   PRO   5          HD2       PRO   5  13.297   4.075 -12.223
   36   2HD   PRO   5          HD1       PRO   5  11.770   4.748 -12.827
   37    HA   PRO   6           HA       PRO   6  11.875   0.678  -7.348
   38   1HB   PRO   6          HB2       PRO   6   9.205   0.199  -6.282
   39   2HB   PRO   6          HB1       PRO   6  10.547   1.089  -5.562
   40   1HG   PRO   6          HG2       PRO   6   8.286   2.297  -6.442
   41   2HG   PRO   6          HG1       PRO   6   9.872   3.093  -6.455
   42   1HD   PRO   6          HD2       PRO   6   8.384   1.781  -8.702
   43   2HD   PRO   6          HD1       PRO   6   9.317   3.296  -8.700
   44    H    LYS   7           HN       LYS   7  11.813  -1.520  -6.623
   45    HA   LYS   7           HA       LYS   7  10.268  -3.315  -8.379
   46   1HB   LYS   7          HB2       LYS   7  13.139  -3.566  -7.481
   47   2HB   LYS   7          HB1       LYS   7  12.216  -4.937  -8.081
   48   1HG   LYS   7          HG2       LYS   7  12.728  -4.381 -10.160
   49   2HG   LYS   7          HG1       LYS   7  11.943  -2.816  -9.948
   50   1HD   LYS   7          HD2       LYS   7  14.782  -3.418  -9.129
   51   2HD   LYS   7          HD1       LYS   7  14.326  -2.668 -10.660
   52   1HE   LYS   7          HE2       LYS   7  13.404  -0.776  -9.540
   53   2HE   LYS   7          HE1       LYS   7  13.569  -1.554  -7.965
   54   1HZ   LYS   7          HZ1       LYS   7  15.300   0.087  -8.333
   55   2HZ   LYS   7          HZ2       LYS   7  15.805  -0.713  -9.741
   56   3HZ   LYS   7          HZ3       LYS   7  15.977  -1.467  -8.232
   57    H    ILE   8           HN       ILE   8   8.684  -3.555  -6.894
   58    HA   ILE   8           HA       ILE   8   9.350  -4.061  -4.131
   59    HB   ILE   8           HB       ILE   8   6.594  -3.997  -5.354
   60   1HG1  ILE   8          HG12      ILE   8   7.890  -1.932  -5.890
   61   2HG1  ILE   8          HG11      ILE   8   6.509  -1.626  -4.840
   62   1HG2  ILE   8          HG21      ILE   8   6.700  -4.936  -3.119
   63   2HG2  ILE   8          HG22      ILE   8   5.931  -3.349  -3.070
   64   3HG2  ILE   8          HG23      ILE   8   7.608  -3.532  -2.549
   65   1HD1  ILE   8          HD11      ILE   8   8.011  -1.525  -2.916
   66   2HD1  ILE   8          HD12      ILE   8   8.457  -0.352  -4.155
   67   3HD1  ILE   8          HD13      ILE   8   9.385  -1.841  -3.975
   68    H    VAL   9           HN       VAL   9   9.302  -5.923  -3.134
   69    HA   VAL   9           HA       VAL   9   8.722  -8.355  -4.683
   70    HB   VAL   9           HB       VAL   9  10.295  -8.036  -2.116
   71   1HG1  VAL   9          HG11      VAL   9   9.396 -10.289  -2.474
   72   2HG1  VAL   9          HG12      VAL   9  11.155 -10.252  -2.574
   73   3HG1  VAL   9          HG13      VAL   9  10.190 -10.349  -4.048
   74   1HG2  VAL   9          HG21      VAL   9  11.267  -8.210  -4.956
   75   2HG2  VAL   9          HG22      VAL   9  12.295  -8.268  -3.523
   76   3HG2  VAL   9          HG23      VAL   9  11.369  -6.811  -3.888
   77    H    TRP  10           HN       TRP  10   7.314  -9.905  -3.874
   78    HA   TRP  10           HA       TRP  10   5.680  -9.007  -1.620
   79   1HB   TRP  10          HB2       TRP  10   4.432  -9.555  -3.615
   80   2HB   TRP  10          HB1       TRP  10   5.164 -11.160  -3.675
   81    HD1  TRP  10           HD1      TRP  10   3.899  -9.705  -0.369
   82    HE1  TRP  10           HE1      TRP  10   1.904 -11.096   0.458
   83    HE3  TRP  10           HE3      TRP  10   3.218 -12.656  -4.490
   84    HZ2  TRP  10           HZ2      TRP  10   0.242 -13.165  -0.523
   85    HZ3  TRP  10           HZ3      TRP  10   1.401 -14.313  -4.463
   86    HH2  TRP  10           HH2      TRP  10  -0.056 -14.562  -2.521
   87    H    ASN  11           HN       ASN  11   6.077  -9.726   0.268
   88    HA   ASN  11           HA       ASN  11   7.405 -12.300   0.704
   89   1HB   ASN  11          HB2       ASN  11   8.183 -10.188   1.832
   90   2HB   ASN  11          HB1       ASN  11   6.640 -10.134   2.668
   91   1HD2  ASN  11          HD21      ASN  11   9.409 -10.372   3.580
   92   2HD2  ASN  11          HD22      ASN  11   9.439 -11.763   4.618
   93    H    GLU  12           HN       GLU  12   5.723 -13.768   0.323
   94    HA   GLU  12           HA       GLU  12   3.053 -13.235   1.189
   95   1HB   GLU  12          HB2       GLU  12   2.525 -15.466   0.376
   96   2HB   GLU  12          HB1       GLU  12   3.483 -14.580  -0.799
   97   1HG   GLU  12          HG2       GLU  12   5.487 -15.808   0.006
   98   2HG   GLU  12          HG1       GLU  12   4.427 -16.768   1.039
   99    H    GLY  13           HN       GLY  13   5.784 -14.736   2.650
  100   1HA   GLY  13          HA2       GLY  13   4.381 -16.259   4.614
  101   2HA   GLY  13          HA1       GLY  13   6.068 -15.767   4.692
  102    H    LYS  14           HN       LYS  14   5.593 -12.962   4.469
  103    HA   LYS  14           HA       LYS  14   4.589 -12.445   7.175
  104   1HB   LYS  14          HB2       LYS  14   6.636 -11.268   5.449
  105   2HB   LYS  14          HB1       LYS  14   5.614 -10.064   6.217
  106   1HG   LYS  14          HG2       LYS  14   7.613 -10.508   7.517
  107   2HG   LYS  14          HG1       LYS  14   6.160 -10.965   8.408
  108   1HD   LYS  14          HD2       LYS  14   7.827 -12.665   8.732
  109   2HD   LYS  14          HD1       LYS  14   6.554 -13.322   7.699
  110   1HE   LYS  14          HE2       LYS  14   7.915 -12.948   5.732
  111   2HE   LYS  14          HE1       LYS  14   9.161 -12.174   6.710
  112   1HZ   LYS  14          HZ1       LYS  14   9.558 -14.256   7.832
  113   2HZ   LYS  14          HZ2       LYS  14   9.703 -14.477   6.156
  114   3HZ   LYS  14          HZ3       LYS  14   8.309 -15.010   6.965
  115    H    ARG  15           HN       ARG  15   3.461 -12.389   4.073
  116    HA   ARG  15           HA       ARG  15   1.686 -11.455   2.991
  117   1HB   ARG  15          HB2       ARG  15   0.873 -10.589   5.772
  118   2HB   ARG  15          HB1       ARG  15  -0.166 -10.577   4.355
  119   1HG   ARG  15          HG2       ARG  15  -0.197 -12.941   4.249
  120   2HG   ARG  15          HG1       ARG  15   1.099 -13.074   5.441
  121   1HD   ARG  15          HD2       ARG  15  -1.678 -12.003   5.923
  122   2HD   ARG  15          HD1       ARG  15  -1.051 -13.560   6.465
  123    HE   ARG  15           HE       ARG  15   0.162 -11.034   7.371
  124   1HH1  ARG  15          HH11      ARG  15  -1.391 -14.093   8.060
  125   2HH1  ARG  15          HH12      ARG  15  -1.070 -14.012   9.772
  126   1HH2  ARG  15          HH21      ARG  15   0.600 -10.924   9.611
  127   2HH2  ARG  15          HH22      ARG  15   0.053 -12.210  10.650
  128    H    ARG  16           HN       ARG  16   3.954  -9.968   2.821
  129    HA   ARG  16           HA       ARG  16   2.931  -7.236   2.935
  130   1HB   ARG  16          HB2       ARG  16   4.718  -6.371   4.201
  131   2HB   ARG  16          HB1       ARG  16   4.216  -7.825   5.046
  132   1HG   ARG  16          HG2       ARG  16   6.084  -9.052   4.128
  133   2HG   ARG  16          HG1       ARG  16   6.570  -7.640   3.185
  134   1HD   ARG  16          HD2       ARG  16   6.805  -6.396   5.360
  135   2HD   ARG  16          HD1       ARG  16   6.560  -7.936   6.186
  136    HE   ARG  16           HE       ARG  16   8.632  -8.151   4.253
  137   1HH1  ARG  16          HH11      ARG  16   7.977  -6.904   7.482
  138   2HH1  ARG  16          HH12      ARG  16   9.650  -6.963   7.962
  139   1HH2  ARG  16          HH21      ARG  16  10.795  -8.220   4.890
  140   2HH2  ARG  16          HH22      ARG  16  11.252  -7.703   6.488
  141    H    PHE  17           HN       PHE  17   4.115  -5.735   1.627
  142    HA   PHE  17           HA       PHE  17   5.765  -7.018  -0.450
  143   1HB   PHE  17          HB2       PHE  17   4.363  -4.334  -0.525
  144   2HB   PHE  17          HB1       PHE  17   5.316  -5.027  -1.828
  145    HD1  PHE  17           HD1      PHE  17   2.116  -4.375  -0.827
  146    HD2  PHE  17           HD2      PHE  17   4.469  -7.563  -2.388
  147    HE1  PHE  17           HE1      PHE  17   0.087  -5.430  -1.739
  148    HE2  PHE  17           HE2      PHE  17   2.442  -8.613  -3.308
  149    HZ   PHE  17           HZ       PHE  17   0.248  -7.546  -2.983
  150    H    GLU  18           HN       GLU  18   7.870  -6.463  -0.608
  151    HA   GLU  18           HA       GLU  18   8.803  -4.222   1.063
  152   1HB   GLU  18          HB2       GLU  18  10.980  -5.933   0.642
  153   2HB   GLU  18          HB1       GLU  18  10.111  -5.665   2.148
  154   1HG   GLU  18          HG2       GLU  18   8.518  -7.481   1.361
  155   2HG   GLU  18          HG1       GLU  18   9.725  -7.843   0.127
  156    H    THR  19           HN       THR  19  10.026  -2.732   0.171
  157    HA   THR  19           HA       THR  19  10.300  -2.507  -2.624
  158    HB   THR  19           HB       THR  19  10.319  -0.554  -1.100
  159    HG1  THR  19           HG1      THR  19  11.702  -0.687  -3.214
  160   1HG2  THR  19          HG21      THR  19  13.015  -1.570  -0.232
  161   2HG2  THR  19          HG22      THR  19  11.546  -1.557   0.743
  162   3HG2  THR  19          HG23      THR  19  12.281  -0.034   0.238
  163    H    GLU  20           HN       GLU  20  12.465  -2.266  -3.721
  164    HA   GLU  20           HA       GLU  20  13.985  -4.627  -3.567
  165   1HB   GLU  20          HB2       GLU  20  15.500  -3.494  -5.152
  166   2HB   GLU  20          HB1       GLU  20  13.811  -3.316  -5.616
  167   1HG   GLU  20          HG2       GLU  20  15.003  -1.171  -3.957
  168   2HG   GLU  20          HG1       GLU  20  15.520  -1.291  -5.637
  169    H    ASP  21           HN       ASP  21  13.920  -2.050  -1.543
  170    HA   ASP  21           HA       ASP  21  16.731  -2.225  -0.754
  171   1HB   ASP  21          HB2       ASP  21  15.802   0.010  -1.051
  172   2HB   ASP  21          HB1       ASP  21  14.499  -0.355   0.063
  173    H    HIS  22           HN       HIS  22  13.602  -3.263   0.073
  174    HA   HIS  22           HA       HIS  22  12.756  -4.680   1.589
  175   1HB   HIS  22          HB2       HIS  22  15.665  -5.366   1.977
  176   2HB   HIS  22          HB1       HIS  22  14.350  -6.245   2.751
  177    HD1  HIS  22           HD1      HIS  22  12.923  -7.815   1.278
  178    HD2  HIS  22           HD2      HIS  22  15.929  -5.807  -0.799
  179    HE1  HIS  22           HE1      HIS  22  13.078  -8.940  -0.964
  180    HE2  HIS  22           HE2      HIS  22  14.898  -7.722  -2.209
  181    H    GLU  23           HN       GLU  23  14.622  -2.104   2.591
  182    HA   GLU  23           HA       GLU  23  14.138  -2.432   5.416
  183   1HB   GLU  23          HB2       GLU  23  15.042  -0.010   3.842
  184   2HB   GLU  23          HB1       GLU  23  15.052  -0.156   5.595
  185   1HG   GLU  23          HG2       GLU  23  16.642  -1.880   3.699
  186   2HG   GLU  23          HG1       GLU  23  17.267  -0.486   4.588
  187    H    ALA  24           HN       ALA  24  12.606  -1.072   2.660
  188    HA   ALA  24           HA       ALA  24  10.479   0.087   4.316
  189   1HB   ALA  24          HB1       ALA  24  11.382   1.640   2.684
  190   2HB   ALA  24          HB2       ALA  24   9.729   1.206   2.246
  191   3HB   ALA  24          HB3       ALA  24  11.086   0.483   1.385
  192    H    PHE  25           HN       PHE  25   8.417  -0.704   4.199
  193    HA   PHE  25           HA       PHE  25   7.744  -2.711   2.246
  194   1HB   PHE  25          HB2       PHE  25   7.185  -4.429   3.977
  195   2HB   PHE  25          HB1       PHE  25   8.912  -4.158   3.746
  196    HD1  PHE  25           HD1      PHE  25   6.059  -3.691   6.009
  197    HD2  PHE  25           HD2      PHE  25  10.256  -3.212   5.491
  198    HE1  PHE  25           HE1      PHE  25   6.308  -3.301   8.425
  199    HE2  PHE  25           HE2      PHE  25  10.513  -2.818   7.904
  200    HZ   PHE  25           HZ       PHE  25   8.538  -2.863   9.374
  201    H    ILE  26           HN       ILE  26   5.586  -3.484   2.436
  202    HA   ILE  26           HA       ILE  26   3.811  -1.817   4.079
  203    HB   ILE  26           HB       ILE  26   3.982  -1.687   1.315
  204   1HG1  ILE  26          HG12      ILE  26   2.949  -0.147   3.043
  205   2HG1  ILE  26          HG11      ILE  26   2.174  -0.203   1.462
  206   1HG2  ILE  26          HG21      ILE  26   2.939  -3.860   0.999
  207   2HG2  ILE  26          HG22      ILE  26   1.872  -2.573   0.436
  208   3HG2  ILE  26          HG23      ILE  26   1.563  -3.362   1.984
  209   1HD1  ILE  26          HD11      ILE  26   0.482  -1.724   2.366
  210   2HD1  ILE  26          HD12      ILE  26   0.524  -0.181   3.223
  211   3HD1  ILE  26          HD13      ILE  26   1.250  -1.618   3.950
  212    H    GLU  27           HN       GLU  27   2.526  -3.020   5.387
  213    HA   GLU  27           HA       GLU  27   2.507  -5.926   4.912
  214   1HB   GLU  27          HB2       GLU  27   3.236  -5.110   7.141
  215   2HB   GLU  27          HB1       GLU  27   1.664  -4.356   7.361
  216   1HG   GLU  27          HG2       GLU  27   0.671  -6.669   7.084
  217   2HG   GLU  27          HG1       GLU  27   2.316  -7.284   7.237
  218    H    TYR  28           HN       TYR  28   0.474  -7.098   5.031
  219    HA   TYR  28           HA       TYR  28  -1.924  -5.573   5.400
  220   1HB   TYR  28          HB2       TYR  28  -2.977  -6.045   3.282
  221   2HB   TYR  28          HB1       TYR  28  -1.471  -5.191   2.991
  222    HD1  TYR  28           HD1      TYR  28  -3.212  -8.410   2.691
  223    HD2  TYR  28           HD2      TYR  28   0.330  -6.241   1.769
  224    HE1  TYR  28           HE1      TYR  28  -2.589 -10.138   1.059
  225    HE2  TYR  28           HE2      TYR  28   0.966  -7.970   0.140
  226    HH   TYR  28           HH       TYR  28   0.527 -10.196  -0.469
  227    H    LYS  29           HN       LYS  29  -3.797  -6.866   5.621
  228    HA   LYS  29           HA       LYS  29  -3.352  -9.753   5.690
  229   1HB   LYS  29          HB2       LYS  29  -4.727  -9.904   7.774
  230   2HB   LYS  29          HB1       LYS  29  -3.162  -9.146   8.008
  231   1HG   LYS  29          HG2       LYS  29  -5.454  -7.354   7.468
  232   2HG   LYS  29          HG1       LYS  29  -5.422  -8.179   9.025
  233   1HD   LYS  29          HD2       LYS  29  -3.186  -6.497   7.898
  234   2HD   LYS  29          HD1       LYS  29  -4.352  -5.960   9.106
  235   1HE   LYS  29          HE2       LYS  29  -3.577  -7.798  10.588
  236   2HE   LYS  29          HE1       LYS  29  -2.338  -8.180   9.397
  237   1HZ   LYS  29          HZ1       LYS  29  -1.581  -6.764  11.275
  238   2HZ   LYS  29          HZ2       LYS  29  -2.588  -5.525  10.701
  239   3HZ   LYS  29          HZ3       LYS  29  -1.300  -6.089   9.745
  240    H    MET  30           HN       MET  30  -5.090 -10.958   5.072
  241    HA   MET  30           HA       MET  30  -7.102  -9.458   3.590
  242   1HB   MET  30          HB2       MET  30  -6.886 -12.471   3.779
  243   2HB   MET  30          HB1       MET  30  -7.547 -11.501   2.473
  244   1HG   MET  30          HG2       MET  30  -5.363 -10.785   1.812
  245   2HG   MET  30          HG1       MET  30  -4.638 -11.582   3.208
  246   1HE   MET  30          HE1       MET  30  -4.474 -14.183   3.519
  247   2HE   MET  30          HE2       MET  30  -5.163 -15.358   2.397
  248   3HE   MET  30          HE3       MET  30  -6.225 -14.322   3.351
  249    H    ARG  31           HN       ARG  31  -8.712  -8.773   4.802
  250    HA   ARG  31           HA       ARG  31  -9.604 -10.300   7.126
  251   1HB   ARG  31          HB2       ARG  31 -10.358  -7.546   6.120
  252   2HB   ARG  31          HB1       ARG  31 -10.920  -8.255   7.629
  253   1HG   ARG  31          HG2       ARG  31  -8.618  -8.317   8.455
  254   2HG   ARG  31          HG1       ARG  31  -8.051  -7.639   6.929
  255   1HD   ARG  31          HD2       ARG  31  -8.147  -5.825   8.418
  256   2HD   ARG  31          HD1       ARG  31  -9.582  -5.670   7.406
  257    HE   ARG  31           HE       ARG  31 -10.455  -7.075   9.566
  258   1HH1  ARG  31          HH11      ARG  31  -8.785  -4.013   9.149
  259   2HH1  ARG  31          HH12      ARG  31  -9.469  -3.315  10.591
  260   1HH2  ARG  31          HH21      ARG  31 -11.322  -6.172  11.461
  261   2HH2  ARG  31          HH22      ARG  31 -10.913  -4.540  11.903
  262    H    ASN  32           HN       ASN  32 -11.891 -10.691   7.446
  263    HA   ASN  32           HA       ASN  32 -13.962 -11.393   6.830
  264   1HB   ASN  32          HB2       ASN  32 -14.044  -9.003   6.009
  265   2HB   ASN  32          HB1       ASN  32 -13.594  -9.602   4.420
  266   1HD2  ASN  32          HD21      ASN  32 -15.493  -8.730   3.611
  267   2HD2  ASN  32          HD22      ASN  32 -17.026  -9.507   3.833
  268    H    ASN  33           HN       ASN  33 -11.950 -13.098   6.273
  269    HA   ASN  33           HA       ASN  33 -11.564 -15.059   5.197
  270   1HB   ASN  33          HB2       ASN  33 -14.101 -14.325   3.744
  271   2HB   ASN  33          HB1       ASN  33 -13.206 -15.800   3.404
  272   1HD2  ASN  33          HD21      ASN  33 -15.892 -15.341   4.498
  273   2HD2  ASN  33          HD22      ASN  33 -15.925 -16.216   5.997
  274    H    GLY  34           HN       GLY  34 -10.912 -12.222   4.049
  275   1HA   GLY  34          HA2       GLY  34  -9.100 -11.864   2.578
  276   2HA   GLY  34          HA1       GLY  34  -9.537 -13.321   1.704
  277    H    LYS  35           HN       LYS  35 -12.029 -11.115   2.578
  278    HA   LYS  35           HA       LYS  35 -12.404 -10.390  -0.214
  279   1HB   LYS  35          HB2       LYS  35 -14.061  -9.757   2.236
  280   2HB   LYS  35          HB1       LYS  35 -14.496  -9.324   0.588
  281   1HG   LYS  35          HG2       LYS  35 -14.139 -12.125   1.620
  282   2HG   LYS  35          HG1       LYS  35 -15.682 -11.312   1.364
  283   1HD   LYS  35          HD2       LYS  35 -15.173 -11.109  -1.026
  284   2HD   LYS  35          HD1       LYS  35 -13.631 -11.925  -0.763
  285   1HE   LYS  35          HE2       LYS  35 -15.300 -13.469  -1.633
  286   2HE   LYS  35          HE1       LYS  35 -14.812 -13.918  -0.001
  287   1HZ   LYS  35          HZ1       LYS  35 -17.308 -12.511  -0.783
  288   2HZ   LYS  35          HZ2       LYS  35 -16.832 -12.789   0.820
  289   3HZ   LYS  35          HZ3       LYS  35 -17.173 -14.099  -0.203
  290    H    VAL  36           HN       VAL  36 -11.228  -9.081   2.744
  291    HA   VAL  36           HA       VAL  36 -10.886  -6.468   1.443
  292    HB   VAL  36           HB       VAL  36 -11.433  -7.072   4.348
  293   1HG1  VAL  36          HG11      VAL  36 -10.698  -4.425   3.098
  294   2HG1  VAL  36          HG12      VAL  36  -9.688  -5.366   4.196
  295   3HG1  VAL  36          HG13      VAL  36 -11.207  -4.674   4.768
  296   1HG2  VAL  36          HG21      VAL  36 -12.919  -5.435   2.299
  297   2HG2  VAL  36          HG22      VAL  36 -13.349  -5.566   4.004
  298   3HG2  VAL  36          HG23      VAL  36 -13.416  -6.991   2.965
  299    H    MET  37           HN       MET  37  -8.859  -5.963   1.065
  300    HA   MET  37           HA       MET  37  -6.720  -7.263   2.570
  301   1HB   MET  37          HB2       MET  37  -6.683  -5.410   0.172
  302   2HB   MET  37          HB1       MET  37  -5.237  -6.056   0.936
  303   1HG   MET  37          HG2       MET  37  -7.410  -7.739  -0.289
  304   2HG   MET  37          HG1       MET  37  -5.948  -7.236  -1.134
  305   1HE   MET  37          HE1       MET  37  -5.448  -9.800  -1.699
  306   2HE   MET  37          HE2       MET  37  -6.906 -10.274  -0.826
  307   3HE   MET  37          HE3       MET  37  -5.371 -11.065  -0.472
  308    H    ASP  38           HN       ASP  38  -6.303  -6.338   4.470
  309    HA   ASP  38           HA       ASP  38  -6.658  -3.468   4.745
  310   1HB   ASP  38          HB2       ASP  38  -7.286  -5.227   6.504
  311   2HB   ASP  38          HB1       ASP  38  -5.563  -5.344   6.837
  312    H    LEU  39           HN       LEU  39  -5.130  -2.313   3.872
  313    HA   LEU  39           HA       LEU  39  -2.400  -3.200   3.714
  314   1HB   LEU  39          HB2       LEU  39  -3.876  -0.740   2.826
  315   2HB   LEU  39          HB1       LEU  39  -2.122  -0.765   2.825
  316    HG   LEU  39           HG       LEU  39  -2.040  -2.457   1.186
  317   1HD1  LEU  39          HD11      LEU  39  -3.799  -3.922   1.978
  318   2HD1  LEU  39          HD12      LEU  39  -4.007  -3.566   0.263
  319   3HD1  LEU  39          HD13      LEU  39  -5.018  -2.758   1.460
  320   1HD2  LEU  39          HD21      LEU  39  -2.477  -0.239   0.332
  321   2HD2  LEU  39          HD22      LEU  39  -4.214  -0.495   0.495
  322   3HD2  LEU  39          HD23      LEU  39  -3.288  -1.443  -0.670
  323    H    VAL  40           HN       VAL  40  -1.431  -3.304   5.611
  324    HA   VAL  40           HA       VAL  40  -1.927  -1.194   7.586
  325    HB   VAL  40           HB       VAL  40  -0.840  -3.987   7.977
  326   1HG1  VAL  40          HG11      VAL  40  -1.130  -3.575  10.355
  327   2HG1  VAL  40          HG12      VAL  40  -1.690  -1.936  10.018
  328   3HG1  VAL  40          HG13      VAL  40  -0.028  -2.394   9.648
  329   1HG2  VAL  40          HG21      VAL  40  -3.561  -2.880   8.640
  330   2HG2  VAL  40          HG22      VAL  40  -2.984  -4.517   8.972
  331   3HG2  VAL  40          HG23      VAL  40  -3.191  -3.974   7.307
  332    H    HIS  41           HN       HIS  41  -0.326   0.268   7.718
  333    HA   HIS  41           HA       HIS  41   1.657   0.985   8.529
  334   1HB   HIS  41          HB2       HIS  41   1.589  -1.202   9.796
  335   2HB   HIS  41          HB1       HIS  41   2.579  -1.886   8.518
  336    HD1  HIS  41           HD1      HIS  41   3.221  -1.412  11.661
  337    HD2  HIS  41           HD2      HIS  41   4.794   0.622   8.392
  338    HE1  HIS  41           HE1      HIS  41   5.430  -0.493  12.437
  339    HE2  HIS  41           HE2      HIS  41   6.458   0.534  10.383
  340    H    THR  42           HN       THR  42   1.920   2.010   6.520
  341    HA   THR  42           HA       THR  42   3.821   0.883   4.662
  342    HB   THR  42           HB       THR  42   2.185   2.472   3.778
  343    HG1  THR  42           HG1      THR  42   3.624   3.360   2.520
  344   1HG2  THR  42          HG21      THR  42   2.227   4.849   4.458
  345   2HG2  THR  42          HG22      THR  42   3.374   4.440   5.738
  346   3HG2  THR  42          HG23      THR  42   1.738   3.780   5.772
  347    H    TYR  43           HN       TYR  43   5.994   0.885   5.066
  348    HA   TYR  43           HA       TYR  43   7.002   3.090   6.704
  349   1HB   TYR  43          HB2       TYR  43   6.609   0.875   8.021
  350   2HB   TYR  43          HB1       TYR  43   8.090   0.350   7.217
  351    HD1  TYR  43           HD1      TYR  43   6.759   3.233   9.202
  352    HD2  TYR  43           HD2      TYR  43  10.106   0.819   8.178
  353    HE1  TYR  43           HE1      TYR  43   8.107   4.391  10.902
  354    HE2  TYR  43           HE2      TYR  43  11.466   1.962   9.862
  355    HH   TYR  43           HH       TYR  43  11.466   4.184  11.057
  356    H    VAL  44           HN       VAL  44   8.863   3.902   6.109
  357    HA   VAL  44           HA       VAL  44  10.584   2.455   4.218
  358    HB   VAL  44           HB       VAL  44   9.837   5.374   3.868
  359   1HG1  VAL  44          HG11      VAL  44  12.032   4.748   3.009
  360   2HG1  VAL  44          HG12      VAL  44  10.919   5.146   1.700
  361   3HG1  VAL  44          HG13      VAL  44  11.294   3.459   2.055
  362   1HG2  VAL  44          HG21      VAL  44   8.815   3.011   2.305
  363   2HG2  VAL  44          HG22      VAL  44   8.502   4.706   1.940
  364   3HG2  VAL  44          HG23      VAL  44   7.875   3.993   3.426
  365    HA   PRO  45           HA       PRO  45  13.622   4.025   7.127
  366   1HB   PRO  45          HB2       PRO  45  15.832   3.861   5.530
  367   2HB   PRO  45          HB1       PRO  45  15.110   2.464   6.340
  368   1HG   PRO  45          HG2       PRO  45  14.748   3.411   3.519
  369   2HG   PRO  45          HG1       PRO  45  15.034   1.765   4.116
  370   1HD   PRO  45          HD2       PRO  45  12.576   2.580   3.448
  371   2HD   PRO  45          HD1       PRO  45  12.839   1.512   4.843
  372    H    SER  46           HN       SER  46  15.473   5.675   7.072
  373    HA   SER  46           HA       SER  46  14.363   8.173   6.410
  374   1HB   SER  46          HB2       SER  46  16.106   7.559   8.210
  375   2HB   SER  46          HB1       SER  46  17.299   7.711   6.924
  376    HG   SER  46           HG       SER  46  16.633   9.875   6.639
  377    H    PHE  47           HN       PHE  47  16.148   5.958   4.521
  378    HA   PHE  47           HA       PHE  47  17.486   7.646   2.729
  379   1HB   PHE  47          HB2       PHE  47  16.253   4.935   2.196
  380   2HB   PHE  47          HB1       PHE  47  17.438   5.734   1.171
  381    HD1  PHE  47           HD1      PHE  47  16.896   3.680   4.068
  382    HD2  PHE  47           HD2      PHE  47  19.753   6.087   2.035
  383    HE1  PHE  47           HE1      PHE  47  18.703   2.584   5.323
  384    HE2  PHE  47           HE2      PHE  47  21.568   4.997   3.287
  385    HZ   PHE  47           HZ       PHE  47  21.044   3.243   4.932
  386    H    LYS  48           HN       LYS  48  14.106   6.665   2.891
  387    HA   LYS  48           HA       LYS  48  13.529   8.228   0.478
  388   1HB   LYS  48          HB2       LYS  48  12.722   5.337   0.850
  389   2HB   LYS  48          HB1       LYS  48  12.157   6.380  -0.442
  390   1HG   LYS  48          HG2       LYS  48  14.355   6.521  -1.378
  391   2HG   LYS  48          HG1       LYS  48  15.046   5.667   0.002
  392   1HD   LYS  48          HD2       LYS  48  12.973   4.469  -1.830
  393   2HD   LYS  48          HD1       LYS  48  14.711   4.272  -2.066
  394   1HE   LYS  48          HE2       LYS  48  13.239   3.485   0.445
  395   2HE   LYS  48          HE1       LYS  48  13.605   2.374  -0.871
  396   1HZ   LYS  48          HZ1       LYS  48  15.273   2.166   0.833
  397   2HZ   LYS  48          HZ2       LYS  48  15.574   3.832   0.800
  398   3HZ   LYS  48          HZ3       LYS  48  15.981   2.882  -0.538
  399    H    ARG  49           HN       ARG  49  12.925   8.812   3.201
  400    HA   ARG  49           HA       ARG  49  10.464   7.941   4.137
  401   1HB   ARG  49          HB2       ARG  49  12.002  10.482   4.563
  402   2HB   ARG  49          HB1       ARG  49  10.426  10.252   5.305
  403   1HG   ARG  49          HG2       ARG  49  12.546   8.178   5.650
  404   2HG   ARG  49          HG1       ARG  49  12.579   9.651   6.621
  405   1HD   ARG  49          HD2       ARG  49  11.420   7.785   7.747
  406   2HD   ARG  49          HD1       ARG  49  10.380   9.183   7.495
  407    HE   ARG  49           HE       ARG  49  10.170   7.234   5.405
  408   1HH1  ARG  49          HH11      ARG  49   9.081   8.053   8.621
  409   2HH1  ARG  49          HH12      ARG  49   7.571   7.212   8.464
  410   1HH2  ARG  49          HH21      ARG  49   8.164   6.124   5.193
  411   2HH2  ARG  49          HH22      ARG  49   7.044   6.123   6.525
  412    H    GLY  50           HN       GLY  50  10.853  11.253   2.830
  413   1HA   GLY  50          HA2       GLY  50   8.040  11.150   2.007
  414   2HA   GLY  50          HA1       GLY  50   9.038  12.593   2.127
  415    H    LEU  51           HN       LEU  51   9.864   9.596   0.485
  416    HA   LEU  51           HA       LEU  51  10.341  11.147  -1.942
  417   1HB   LEU  51          HB2       LEU  51  11.358   8.572  -0.864
  418   2HB   LEU  51          HB1       LEU  51  11.329   8.780  -2.603
  419    HG   LEU  51           HG       LEU  51  13.524   9.335  -1.698
  420   1HD1  LEU  51          HD11      LEU  51  12.048  11.792  -2.630
  421   2HD1  LEU  51          HD12      LEU  51  12.745  10.548  -3.669
  422   3HD1  LEU  51          HD13      LEU  51  13.795  11.551  -2.667
  423   1HD2  LEU  51          HD21      LEU  51  13.837  11.266  -0.227
  424   2HD2  LEU  51          HD22      LEU  51  12.866  10.014   0.549
  425   3HD2  LEU  51          HD23      LEU  51  12.087  11.456  -0.104
  426    H    GLY  52           HN       GLY  52   7.846   9.346  -0.715
  427   1HA   GLY  52          HA2       GLY  52   5.871   9.030  -2.032
  428   2HA   GLY  52          HA1       GLY  52   6.900   8.882  -3.449
  429    H    LEU  53           HN       LEU  53   8.700   7.054  -1.916
  430    HA   LEU  53           HA       LEU  53   7.833   4.669  -3.010
  431   1HB   LEU  53          HB2       LEU  53  10.155   5.276  -2.240
  432   2HB   LEU  53          HB1       LEU  53   9.640   4.938  -0.603
  433    HG   LEU  53           HG       LEU  53  10.967   3.134  -1.876
  434   1HD1  LEU  53          HD11      LEU  53   9.876   2.753   0.273
  435   2HD1  LEU  53          HD12      LEU  53   9.759   1.338  -0.774
  436   3HD1  LEU  53          HD13      LEU  53   8.362   2.394  -0.558
  437   1HD2  LEU  53          HD21      LEU  53   9.691   3.218  -3.945
  438   2HD2  LEU  53          HD22      LEU  53   8.237   2.711  -3.082
  439   3HD2  LEU  53          HD23      LEU  53   9.609   1.612  -3.220
  440    H    ALA  54           HN       ALA  54   7.405   5.847   0.309
  441    HA   ALA  54           HA       ALA  54   6.190   3.715   1.528
  442   1HB   ALA  54          HB1       ALA  54   5.381   6.609   1.795
  443   2HB   ALA  54          HB2       ALA  54   6.718   5.834   2.642
  444   3HB   ALA  54          HB3       ALA  54   5.061   5.324   2.961
  445    H    SER  55           HN       SER  55   4.582   6.197  -0.432
  446    HA   SER  55           HA       SER  55   2.022   5.000  -0.255
  447   1HB   SER  55          HB2       SER  55   3.125   7.075  -2.163
  448   2HB   SER  55          HB1       SER  55   1.420   6.632  -2.042
  449    HG   SER  55           HG       SER  55   3.018   8.090  -0.275
  450    H    HIS  56           HN       HIS  56   4.700   4.668  -2.504
  451    HA   HIS  56           HA       HIS  56   3.327   3.347  -4.581
  452   1HB   HIS  56          HB2       HIS  56   6.190   3.441  -3.722
  453   2HB   HIS  56          HB1       HIS  56   5.698   2.206  -4.874
  454    HD1  HIS  56           HD1      HIS  56   4.753   3.064  -7.186
  455    HD2  HIS  56           HD2      HIS  56   6.481   5.981  -4.769
  456    HE1  HIS  56           HE1      HIS  56   5.180   5.034  -8.696
  457    HE2  HIS  56           HE2      HIS  56   6.124   6.827  -7.195
  458    H    LEU  57           HN       LEU  57   4.692   2.224  -1.561
  459    HA   LEU  57           HA       LEU  57   4.461  -0.549  -2.010
  460   1HB   LEU  57          HB2       LEU  57   4.253   0.996   0.580
  461   2HB   LEU  57          HB1       LEU  57   4.499  -0.735   0.449
  462    HG   LEU  57           HG       LEU  57   6.445   1.279  -0.664
  463   1HD1  LEU  57          HD11      LEU  57   7.794   0.876   1.332
  464   2HD1  LEU  57          HD12      LEU  57   6.491  -0.094   2.018
  465   3HD1  LEU  57          HD13      LEU  57   6.251   1.629   1.733
  466   1HD2  LEU  57          HD21      LEU  57   7.985  -0.616  -0.616
  467   2HD2  LEU  57          HD22      LEU  57   6.573  -0.966  -1.613
  468   3HD2  LEU  57          HD23      LEU  57   6.701  -1.651   0.008
  469    H    CYS  58           HN       CYS  58   2.303   1.789  -0.491
  470    HA   CYS  58           HA       CYS  58   0.152   0.073   0.036
  471   1HB   CYS  58          HB2       CYS  58   0.379   2.330   1.006
  472   2HB   CYS  58          HB1       CYS  58   0.098   3.039  -0.583
  473    HG   CYS  58           HG       CYS  58  -2.484   1.369  -0.446
  474    H    VAL  59           HN       VAL  59   0.917   2.043  -2.811
  475    HA   VAL  59           HA       VAL  59  -1.438   1.546  -4.256
  476    HB   VAL  59           HB       VAL  59   1.346   2.197  -5.229
  477   1HG1  VAL  59          HG11      VAL  59  -1.230   2.175  -6.801
  478   2HG1  VAL  59          HG12      VAL  59   0.129   1.073  -7.022
  479   3HG1  VAL  59          HG13      VAL  59   0.320   2.792  -7.374
  480   1HG2  VAL  59          HG21      VAL  59   0.281   3.918  -3.870
  481   2HG2  VAL  59          HG22      VAL  59  -1.133   3.881  -4.922
  482   3HG2  VAL  59          HG23      VAL  59   0.418   4.435  -5.551
  483    H    ALA  60           HN       ALA  60   1.574  -0.284  -4.023
  484    HA   ALA  60           HA       ALA  60   1.012  -2.072  -6.139
  485   1HB   ALA  60          HB1       ALA  60   2.766  -2.505  -3.719
  486   2HB   ALA  60          HB2       ALA  60   3.268  -1.771  -5.243
  487   3HB   ALA  60          HB3       ALA  60   2.783  -3.466  -5.197
  488    H    ALA  61           HN       ALA  61   0.007  -2.027  -2.764
  489    HA   ALA  61           HA       ALA  61  -1.011  -4.707  -2.833
  490   1HB   ALA  61          HB1       ALA  61  -2.099  -4.133  -0.730
  491   2HB   ALA  61          HB2       ALA  61  -1.686  -2.435  -0.969
  492   3HB   ALA  61          HB3       ALA  61  -0.409  -3.625  -0.720
  493    H    PHE  62           HN       PHE  62  -2.232  -1.477  -3.461
  494    HA   PHE  62           HA       PHE  62  -4.924  -2.087  -3.940
  495   1HB   PHE  62          HB2       PHE  62  -3.084   0.010  -5.075
  496   2HB   PHE  62          HB1       PHE  62  -4.751  -0.130  -5.609
  497    HD1  PHE  62           HD1      PHE  62  -6.270  -0.578  -3.223
  498    HD2  PHE  62           HD2      PHE  62  -2.847   1.886  -3.789
  499    HE1  PHE  62           HE1      PHE  62  -6.947   0.797  -1.290
  500    HE2  PHE  62           HE2      PHE  62  -3.523   3.268  -1.868
  501    HZ   PHE  62           HZ       PHE  62  -5.681   2.849  -0.753
  502    H    GLU  63           HN       GLU  63  -2.154  -1.988  -6.169
  503    HA   GLU  63           HA       GLU  63  -3.454  -2.689  -8.524
  504   1HB   GLU  63          HB2       GLU  63  -0.667  -3.561  -7.747
  505   2HB   GLU  63          HB1       GLU  63  -1.302  -3.391  -9.375
  506   1HG   GLU  63          HG2       GLU  63  -1.615  -0.938  -8.829
  507   2HG   GLU  63          HG1       GLU  63  -0.629  -1.239  -7.405
  508    H    HIS  64           HN       HIS  64  -2.333  -4.676  -5.892
  509    HA   HIS  64           HA       HIS  64  -2.539  -7.170  -7.258
  510   1HB   HIS  64          HB2       HIS  64  -1.100  -6.764  -5.257
  511   2HB   HIS  64          HB1       HIS  64  -2.560  -6.633  -4.281
  512    HD1  HIS  64           HD1      HIS  64  -2.682  -8.699  -2.917
  513    HD2  HIS  64           HD2      HIS  64  -1.499  -9.495  -6.821
  514    HE1  HIS  64           HE1      HIS  64  -2.483 -11.198  -3.067
  515    HE2  HIS  64           HE2      HIS  64  -1.888 -11.670  -5.465
  516    H    ALA  65           HN       ALA  65  -4.582  -5.529  -4.848
  517    HA   ALA  65           HA       ALA  65  -6.556  -7.584  -4.872
  518   1HB   ALA  65          HB1       ALA  65  -6.779  -4.760  -3.860
  519   2HB   ALA  65          HB2       ALA  65  -6.192  -6.141  -2.932
  520   3HB   ALA  65          HB3       ALA  65  -7.866  -6.097  -3.487
  521    H    SER  66           HN       SER  66  -6.471  -4.284  -6.255
  522    HA   SER  66           HA       SER  66  -8.973  -4.241  -7.424
  523   1HB   SER  66          HB2       SER  66  -7.507  -2.288  -7.389
  524   2HB   SER  66          HB1       SER  66  -6.404  -3.070  -8.522
  525    HG   SER  66           HG       SER  66  -8.577  -1.611  -9.051
  526    H    SER  67           HN       SER  67  -6.003  -5.676  -8.700
  527    HA   SER  67           HA       SER  67  -6.967  -6.277 -11.268
  528   1HB   SER  67          HB2       SER  67  -4.549  -6.319 -10.409
  529   2HB   SER  67          HB1       SER  67  -4.918  -7.925  -9.785
  530    HG   SER  67           HG       SER  67  -5.129  -8.695 -11.807
  531    H    HIS  68           HN       HIS  68  -7.130  -8.033  -8.210
  532    HA   HIS  68           HA       HIS  68  -8.455 -10.298  -9.515
  533   1HB   HIS  68          HB2       HIS  68  -6.602 -10.501  -7.733
  534   2HB   HIS  68          HB1       HIS  68  -7.841 -10.038  -6.573
  535    HD1  HIS  68           HD1      HIS  68  -6.725 -12.846  -8.741
  536    HD2  HIS  68           HD2      HIS  68  -9.770 -12.020  -6.037
  537    HE1  HIS  68           HE1      HIS  68  -7.818 -15.061  -8.251
  538    HE2  HIS  68           HE2      HIS  68  -9.530 -14.555  -6.472
  539    H    SER  69           HN       SER  69  -9.429  -7.411  -8.604
  540    HA   SER  69           HA       SER  69 -11.316  -6.410  -7.871
  541   1HB   SER  69          HB2       SER  69 -12.507  -9.082  -8.631
  542   2HB   SER  69          HB1       SER  69 -13.459  -7.655  -8.214
  543    HG   SER  69           HG       SER  69 -12.175  -6.582  -9.933
  544    H    ILE  70           HN       ILE  70  -9.779  -7.086  -5.880
  545    HA   ILE  70           HA       ILE  70 -11.516  -8.225  -3.791
  546    HB   ILE  70           HB       ILE  70  -8.532  -7.653  -3.701
  547   1HG1  ILE  70          HG12      ILE  70  -9.989 -10.293  -3.988
  548   2HG1  ILE  70          HG11      ILE  70  -9.112  -9.467  -5.272
  549   1HG2  ILE  70          HG21      ILE  70  -9.510  -7.549  -1.493
  550   2HG2  ILE  70          HG22      ILE  70  -8.574  -9.036  -1.650
  551   3HG2  ILE  70          HG23      ILE  70 -10.334  -9.088  -1.749
  552   1HD1  ILE  70          HD11      ILE  70  -7.926 -10.570  -2.736
  553   2HD1  ILE  70          HD12      ILE  70  -7.036  -9.719  -3.997
  554   3HD1  ILE  70          HD13      ILE  70  -7.795 -11.272  -4.348
  555    H    SER  71           HN       SER  71 -11.784  -6.995  -1.817
  556    HA   SER  71           HA       SER  71 -11.658  -4.118  -2.300
  557   1HB   SER  71          HB2       SER  71 -12.927  -5.659  -0.017
  558   2HB   SER  71          HB1       SER  71 -13.126  -3.937  -0.346
  559    HG   SER  71           HG       SER  71 -13.723  -5.210  -2.574
  560    H    ILE  72           HN       ILE  72 -10.967  -2.736  -0.391
  561    HA   ILE  72           HA       ILE  72  -8.706  -3.940   1.061
  562    HB   ILE  72           HB       ILE  72  -8.536  -1.640  -0.916
  563   1HG1  ILE  72          HG12      ILE  72  -7.163  -4.315  -0.712
  564   2HG1  ILE  72          HG11      ILE  72  -8.244  -3.753  -1.983
  565   1HG2  ILE  72          HG21      ILE  72  -6.192  -1.336  -0.250
  566   2HG2  ILE  72          HG22      ILE  72  -6.440  -2.461   1.087
  567   3HG2  ILE  72          HG23      ILE  72  -7.319  -0.933   1.047
  568   1HD1  ILE  72          HD11      ILE  72  -5.522  -2.609  -1.408
  569   2HD1  ILE  72          HD12      ILE  72  -6.595  -2.166  -2.735
  570   3HD1  ILE  72          HD13      ILE  72  -5.892  -3.781  -2.671
  571    H    ILE  73           HN       ILE  73  -8.072  -2.775   2.874
  572    HA   ILE  73           HA       ILE  73  -9.337  -0.188   3.450
  573    HB   ILE  73           HB       ILE  73  -9.195  -2.549   5.345
  574   1HG1  ILE  73          HG12      ILE  73 -11.188  -2.408   3.879
  575   2HG1  ILE  73          HG11      ILE  73 -11.590  -2.239   5.587
  576   1HG2  ILE  73          HG21      ILE  73  -9.996  -1.026   7.107
  577   2HG2  ILE  73          HG22      ILE  73  -9.776   0.335   6.006
  578   3HG2  ILE  73          HG23      ILE  73  -8.380  -0.608   6.534
  579   1HD1  ILE  73          HD11      ILE  73 -11.366  -0.001   3.589
  580   2HD1  ILE  73          HD12      ILE  73 -11.754   0.181   5.300
  581   3HD1  ILE  73          HD13      ILE  73 -12.858  -0.686   4.233
  582    HA   PRO  74           HA       PRO  74  -4.892   0.050   4.069
  583   1HB   PRO  74          HB2       PRO  74  -4.901   2.789   3.352
  584   2HB   PRO  74          HB1       PRO  74  -4.497   1.415   2.321
  585   1HG   PRO  74          HG2       PRO  74  -6.716   3.090   2.019
  586   2HG   PRO  74          HG1       PRO  74  -6.501   1.503   1.262
  587   1HD   PRO  74          HD2       PRO  74  -8.057   2.249   3.697
  588   2HD   PRO  74          HD1       PRO  74  -8.414   1.027   2.455
  589    H    SER  75           HN       SER  75  -4.752  -0.088   6.313
  590    HA   SER  75           HA       SER  75  -5.305   2.045   8.098
  591   1HB   SER  75          HB2       SER  75  -3.232  -0.165   8.311
  592   2HB   SER  75          HB1       SER  75  -3.807   0.837   9.645
  593    HG   SER  75           HG       SER  75  -5.181  -1.173   8.192
  594    H    CYS  76           HN       CYS  76  -2.907   1.427   5.804
  595    HA   CYS  76           HA       CYS  76  -0.931   3.309   6.444
  596   1HB   CYS  76          HB2       CYS  76  -1.747   2.376   3.689
  597   2HB   CYS  76          HB1       CYS  76  -0.237   3.151   4.144
  598    HG   CYS  76           HG       CYS  76  -1.276   0.016   4.907
  599    H    SER  77           HN       SER  77  -3.768   4.281   6.639
  600    HA   SER  77           HA       SER  77  -4.705   5.767   4.559
  601   1HB   SER  77          HB2       SER  77  -4.923   6.517   7.475
  602   2HB   SER  77          HB1       SER  77  -6.022   6.992   6.181
  603    HG   SER  77           HG       SER  77  -5.906   4.383   6.062
  604    H    TYR  78           HN       TYR  78  -1.791   6.593   6.252
  605    HA   TYR  78           HA       TYR  78  -1.667   9.338   5.692
  606   1HB   TYR  78          HB2       TYR  78   0.339   8.810   6.639
  607   2HB   TYR  78          HB1       TYR  78   0.278   7.154   6.051
  608    HD1  TYR  78           HD1      TYR  78   1.060  10.638   4.950
  609    HD2  TYR  78           HD2      TYR  78   1.653   6.474   4.293
  610    HE1  TYR  78           HE1      TYR  78   2.770  11.150   3.255
  611    HE2  TYR  78           HE2      TYR  78   3.364   6.971   2.600
  612    HH   TYR  78           HH       TYR  78   4.648  10.141   2.154
  613    H    VAL  79           HN       VAL  79  -0.942   6.535   3.646
  614    HA   VAL  79           HA       VAL  79  -0.518   7.904   1.219
  615    HB   VAL  79           HB       VAL  79  -1.653   5.124   1.610
  616   1HG1  VAL  79          HG11      VAL  79  -0.220   6.330  -0.755
  617   2HG1  VAL  79          HG12      VAL  79  -1.949   5.997  -0.651
  618   3HG1  VAL  79          HG13      VAL  79  -0.793   4.665  -0.614
  619   1HG2  VAL  79          HG21      VAL  79   1.234   5.939   1.280
  620   2HG2  VAL  79          HG22      VAL  79   0.616   4.293   1.450
  621   3HG2  VAL  79          HG23      VAL  79   0.484   5.430   2.792
  622    H    SER  80           HN       SER  80  -3.376   6.422   2.675
  623    HA   SER  80           HA       SER  80  -5.143   6.804   0.526
  624   1HB   SER  80          HB2       SER  80  -5.900   6.841   3.453
  625   2HB   SER  80          HB1       SER  80  -6.892   6.315   2.091
  626    HG   SER  80           HG       SER  80  -5.253   4.652   1.766
  627    H    ASP  81           HN       ASP  81  -4.271   8.812   3.214
  628    HA   ASP  81           HA       ASP  81  -6.246  10.786   3.082
  629   1HB   ASP  81          HB2       ASP  81  -4.923  10.652   5.047
  630   2HB   ASP  81          HB1       ASP  81  -3.415  10.679   4.150
  631    H    THR  82           HN       THR  82  -2.887  10.903   1.872
  632    HA   THR  82           HA       THR  82  -3.533  13.312   0.380
  633    HB   THR  82           HB       THR  82  -1.492  13.314   1.710
  634    HG1  THR  82           HG1      THR  82  -0.813  13.351  -1.058
  635   1HG2  THR  82          HG21      THR  82  -0.892  10.941   1.520
  636   2HG2  THR  82          HG22      THR  82   0.454  11.997   1.088
  637   3HG2  THR  82          HG23      THR  82  -0.473  11.190  -0.176
  638    H    PHE  83           HN       PHE  83  -2.372  10.031  -0.321
  639    HA   PHE  83           HA       PHE  83  -1.778  10.664  -3.046
  640   1HB   PHE  83          HB2       PHE  83  -0.796   8.849  -1.360
  641   2HB   PHE  83          HB1       PHE  83  -1.992   7.839  -2.161
  642    HD1  PHE  83           HD1      PHE  83  -0.546   6.378  -3.328
  643    HD2  PHE  83           HD2      PHE  83  -0.109  10.592  -3.734
  644    HE1  PHE  83           HE1      PHE  83   0.993   6.035  -5.217
  645    HE2  PHE  83           HE2      PHE  83   1.438  10.256  -5.616
  646    HZ   PHE  83           HZ       PHE  83   1.989   7.975  -6.362
  647    H    LEU  84           HN       LEU  84  -4.484   9.133  -1.389
  648    HA   LEU  84           HA       LEU  84  -5.551   8.002  -3.784
  649   1HB   LEU  84          HB2       LEU  84  -6.647   8.407  -1.041
  650   2HB   LEU  84          HB1       LEU  84  -7.686   7.872  -2.350
  651    HG   LEU  84           HG       LEU  84  -5.180   6.465  -1.420
  652   1HD1  LEU  84          HD11      LEU  84  -6.705   4.728  -0.637
  653   2HD1  LEU  84          HD12      LEU  84  -8.079   5.740  -1.083
  654   3HD1  LEU  84          HD13      LEU  84  -6.978   6.261   0.191
  655   1HD2  LEU  84          HD21      LEU  84  -5.564   6.181  -3.803
  656   2HD2  LEU  84          HD22      LEU  84  -7.226   5.680  -3.487
  657   3HD2  LEU  84          HD23      LEU  84  -5.883   4.681  -2.931
  658    HA   PRO  85           HA       PRO  85  -8.276  12.101  -3.861
  659   1HB   PRO  85          HB2       PRO  85  -6.089  13.834  -2.841
  660   2HB   PRO  85          HB1       PRO  85  -7.833  14.009  -2.653
  661   1HG   PRO  85          HG2       PRO  85  -6.297  13.189  -0.640
  662   2HG   PRO  85          HG1       PRO  85  -7.917  12.518  -0.896
  663   1HD   PRO  85          HD2       PRO  85  -5.248  11.308  -1.462
  664   2HD   PRO  85          HD1       PRO  85  -6.755  10.536  -0.923
  665    H    ARG  86           HN       ARG  86  -4.772  11.777  -4.136
  666    HA   ARG  86           HA       ARG  86  -4.569  13.300  -6.549
  667   1HB   ARG  86          HB2       ARG  86  -2.582  12.912  -5.147
  668   2HB   ARG  86          HB1       ARG  86  -2.683  11.173  -5.467
  669   1HG   ARG  86          HG2       ARG  86  -2.253  11.535  -7.806
  670   2HG   ARG  86          HG1       ARG  86  -2.315  13.283  -7.596
  671   1HD   ARG  86          HD2       ARG  86  -0.312  13.217  -6.232
  672   2HD   ARG  86          HD1       ARG  86  -0.279  11.453  -6.325
  673    HE   ARG  86           HE       ARG  86  -0.199  12.059  -8.900
  674   1HH1  ARG  86          HH11      ARG  86   1.607  13.478  -6.236
  675   2HH1  ARG  86          HH12      ARG  86   2.937  13.948  -7.246
  676   1HH2  ARG  86          HH21      ARG  86   1.564  12.665 -10.202
  677   2HH2  ARG  86          HH22      ARG  86   2.935  13.457  -9.482
  678    H    ASN  87           HN       ASN  87  -4.619   9.829  -5.853
  679    HA   ASN  87           HA       ASN  87  -5.354   9.344  -8.667
  680   1HB   ASN  87          HB2       ASN  87  -3.698   7.617  -6.811
  681   2HB   ASN  87          HB1       ASN  87  -4.224   7.137  -8.420
  682   1HD2  ASN  87          HD21      ASN  87  -1.563   7.782  -7.029
  683   2HD2  ASN  87          HD22      ASN  87  -0.754   8.769  -8.191
  684    HA   PRO  88           HA       PRO  88  -8.807   7.871  -6.000
  685   1HB   PRO  88          HB2       PRO  88 -10.564   8.869  -8.084
  686   2HB   PRO  88          HB1       PRO  88 -10.403   9.427  -6.418
  687   1HG   PRO  88          HG2       PRO  88  -9.640  10.911  -8.563
  688   2HG   PRO  88          HG1       PRO  88  -8.867  11.035  -6.969
  689   1HD   PRO  88          HD2       PRO  88  -7.956   9.537  -9.407
  690   2HD   PRO  88          HD1       PRO  88  -7.013  10.546  -8.289
  691    H    SER  89           HN       SER  89  -7.328   6.155  -7.656
  692    HA   SER  89           HA       SER  89  -9.208   4.997  -9.579
  693   1HB   SER  89          HB2       SER  89  -6.774   5.493 -10.145
  694   2HB   SER  89          HB1       SER  89  -6.340   4.183  -9.051
  695    HG   SER  89           HG       SER  89  -6.714   3.830 -11.487
  696    H    TRP  90           HN       TRP  90  -8.463   4.711  -6.381
  697    HA   TRP  90           HA       TRP  90  -8.882   1.800  -6.348
  698   1HB   TRP  90          HB2       TRP  90  -7.511   3.386  -4.184
  699   2HB   TRP  90          HB1       TRP  90  -7.469   1.646  -4.450
  700    HD1  TRP  90           HD1      TRP  90  -5.358   4.550  -4.882
  701    HE1  TRP  90           HE1      TRP  90  -3.500   4.145  -6.606
  702    HE3  TRP  90           HE3      TRP  90  -7.211   0.333  -7.107
  703    HZ2  TRP  90           HZ2      TRP  90  -2.899   2.296  -8.651
  704    HZ3  TRP  90           HZ3      TRP  90  -5.934  -0.686  -8.944
  705    HH2  TRP  90           HH2      TRP  90  -3.822   0.278  -9.698
  706    H    LYS  91           HN       LYS  91 -10.615   4.366  -6.121
  707    HA   LYS  91           HA       LYS  91 -11.892   4.432  -3.656
  708   1HB   LYS  91          HB2       LYS  91 -12.152   5.994  -5.673
  709   2HB   LYS  91          HB1       LYS  91 -13.296   4.820  -6.299
  710   1HG   LYS  91          HG2       LYS  91 -13.597   6.188  -3.631
  711   2HG   LYS  91          HG1       LYS  91 -14.303   6.784  -5.131
  712   1HD   LYS  91          HD2       LYS  91 -15.526   4.640  -5.358
  713   2HD   LYS  91          HD1       LYS  91 -14.881   4.143  -3.794
  714   1HE   LYS  91          HE2       LYS  91 -17.076   4.972  -3.416
  715   2HE   LYS  91          HE1       LYS  91 -15.952   6.189  -2.810
  716   1HZ   LYS  91          HZ1       LYS  91 -17.354   6.263  -5.430
  717   2HZ   LYS  91          HZ2       LYS  91 -16.264   7.434  -4.872
  718   3HZ   LYS  91          HZ3       LYS  91 -17.743   7.201  -4.071
  719    HA   PRO  92           HA       PRO  92 -14.955   1.026  -5.378
  720   1HB   PRO  92          HB2       PRO  92 -13.259  -0.362  -7.353
  721   2HB   PRO  92          HB1       PRO  92 -14.967   0.079  -7.449
  722   1HG   PRO  92          HG2       PRO  92 -13.157   1.392  -8.874
  723   2HG   PRO  92          HG1       PRO  92 -14.499   2.259  -8.104
  724   1HD   PRO  92          HD2       PRO  92 -11.649   2.001  -7.200
  725   2HD   PRO  92          HD1       PRO  92 -12.683   3.444  -7.253
  726    H    LEU  93           HN       LEU  93 -11.917   0.901  -4.188
  727    HA   LEU  93           HA       LEU  93 -12.091  -1.962  -3.523
  728   1HB   LEU  93          HB2       LEU  93  -9.690  -0.159  -3.246
  729   2HB   LEU  93          HB1       LEU  93  -9.730  -1.904  -3.075
  730    HG   LEU  93           HG       LEU  93 -10.253  -0.413  -5.644
  731   1HD1  LEU  93          HD11      LEU  93  -7.815  -1.943  -4.737
  732   2HD1  LEU  93          HD12      LEU  93  -7.933  -0.190  -4.910
  733   3HD1  LEU  93          HD13      LEU  93  -8.057  -1.228  -6.331
  734   1HD2  LEU  93          HD21      LEU  93  -9.906  -3.357  -5.075
  735   2HD2  LEU  93          HD22      LEU  93 -10.054  -2.630  -6.676
  736   3HD2  LEU  93          HD23      LEU  93 -11.405  -2.552  -5.545
  737    H    ILE  94           HN       ILE  94 -11.542   1.267  -2.224
  738    HA   ILE  94           HA       ILE  94 -11.878   0.167   0.489
  739    HB   ILE  94           HB       ILE  94 -10.376   1.779   1.363
  740   1HG1  ILE  94          HG12      ILE  94  -9.851   3.052  -1.297
  741   2HG1  ILE  94          HG11      ILE  94 -11.251   3.567  -0.357
  742   1HG2  ILE  94          HG21      ILE  94  -9.239   0.752  -1.232
  743   2HG2  ILE  94          HG22      ILE  94  -9.265  -0.098   0.313
  744   3HG2  ILE  94          HG23      ILE  94  -8.296   1.363   0.128
  745   1HD1  ILE  94          HD11      ILE  94  -8.398   3.587   0.580
  746   2HD1  ILE  94          HD12      ILE  94  -9.798   4.098   1.522
  747   3HD1  ILE  94          HD13      ILE  94  -9.339   4.989   0.070
  748    H    HIS  95           HN       HIS  95 -12.049   2.661   1.795
  749    HA   HIS  95           HA       HIS  95 -14.724   3.453   1.291
  750   1HB   HIS  95          HB2       HIS  95 -12.529   4.457   3.063
  751   2HB   HIS  95          HB1       HIS  95 -14.000   5.411   2.864
  752    HD1  HIS  95           HD1      HIS  95 -14.659   5.007   5.357
  753    HD2  HIS  95           HD2      HIS  95 -14.361   1.540   3.069
  754    HE1  HIS  95           HE1      HIS  95 -15.735   3.188   6.721
  755    HE2  HIS  95           HE2      HIS  95 -15.745   1.166   5.218
  756    H    SER  96           HN       SER  96 -11.924   5.764   1.201
  757    HA   SER  96           HA       SER  96 -11.944   6.084  -1.589
  758   1HB   SER  96          HB2       SER  96 -14.189   7.088  -1.187
  759   2HB   SER  96          HB1       SER  96 -13.435   8.301  -0.153
  760    HG   SER  96           HG       SER  96 -12.094   8.335  -2.408
  761    H    GLU  97           HN       GLU  97 -11.114   7.262   1.566
  762    HA   GLU  97           HA       GLU  97  -8.658   8.410   0.951
  763   1HB   GLU  97          HB2       GLU  97 -10.122  10.016  -0.297
  764   2HB   GLU  97          HB1       GLU  97 -10.955  10.381   1.207
  765   1HG   GLU  97          HG2       GLU  97  -8.576  11.058   2.020
  766   2HG   GLU  97          HG1       GLU  97  -8.240  11.175   0.290
  767    H    VAL  98           HN       VAL  98  -8.805  10.496   2.998
  768    HA   VAL  98           HA       VAL  98  -9.442   8.795   5.300
  769    HB   VAL  98           HB       VAL  98  -7.087   9.616   5.033
  770   1HG1  VAL  98          HG11      VAL  98  -6.623  11.934   5.699
  771   2HG1  VAL  98          HG12      VAL  98  -8.356  12.261   5.696
  772   3HG1  VAL  98          HG13      VAL  98  -7.538  11.826   4.195
  773   1HG2  VAL  98          HG21      VAL  98  -6.798  10.163   7.398
  774   2HG2  VAL  98          HG22      VAL  98  -7.934   8.831   7.180
  775   3HG2  VAL  98          HG23      VAL  98  -8.532  10.450   7.545
  776    H    PHE  99           HN       PHE  99 -10.134  11.900   3.809
  777    HA   PHE  99           HA       PHE  99 -11.543  12.845   6.183
  778   1HB   PHE  99          HB2       PHE  99 -11.238  14.205   3.498
  779   2HB   PHE  99          HB1       PHE  99 -11.858  14.934   4.969
  780    HD1  PHE  99           HD1      PHE  99  -8.973  14.271   2.978
  781    HD2  PHE  99           HD2      PHE  99 -10.264  15.213   6.920
  782    HE1  PHE  99           HE1      PHE  99  -6.716  15.087   3.517
  783    HE2  PHE  99           HE2      PHE  99  -8.012  16.027   7.465
  784    HZ   PHE  99           HZ       PHE  99  -6.235  15.968   5.763
  785    H    LYS 100           HN       LYS 100 -12.240  11.812   2.855
  786    HA   LYS 100           HA       LYS 100 -15.093  12.414   3.366
  787   1HB   LYS 100          HB2       LYS 100 -15.232  12.954   0.912
  788   2HB   LYS 100          HB1       LYS 100 -14.275  14.077   1.865
  789   1HG   LYS 100          HG2       LYS 100 -12.971  13.802  -0.011
  790   2HG   LYS 100          HG1       LYS 100 -12.264  12.626   1.094
  791   1HD   LYS 100          HD2       LYS 100 -13.604  10.851   0.030
  792   2HD   LYS 100          HD1       LYS 100 -14.256  12.044  -1.099
  793   1HE   LYS 100          HE2       LYS 100 -11.460  10.978  -0.884
  794   2HE   LYS 100          HE1       LYS 100 -12.535  10.987  -2.279
  795   1HZ   LYS 100          HZ1       LYS 100 -11.025  12.654  -2.735
  796   2HZ   LYS 100          HZ2       LYS 100 -10.965  13.200  -1.131
  797   3HZ   LYS 100          HZ3       LYS 100 -12.331  13.526  -2.087
  798    H    SER 101           HN       SER 101 -13.696   9.930   3.736
  799    HA   SER 101           HA       SER 101 -14.081   8.341   1.385
  800   1HB   SER 101          HB2       SER 101 -13.267   6.526   3.039
  801   2HB   SER 101          HB1       SER 101 -12.159   7.809   2.547
  802    HG   SER 101           HG       SER 101 -11.946   7.956   4.658
  803    H    SER 102           HN       SER 102 -15.606   6.930   0.932
  804    HA   SER 102           HA       SER 102 -17.384   5.563   1.037
  805   1HB   SER 102          HB2       SER 102 -16.380   4.743   3.148
  806   2HB   SER 102          HB1       SER 102 -17.367   5.898   4.035
  807    HG   SER 102           HG       SER 102 -19.076   4.680   3.719
  808    H    ILE 103           HN       ILE 103 -18.960   6.456   0.106
  809    HA   ILE 103           HA       ILE 103 -20.872   8.084   1.588
  810    HB   ILE 103           HB       ILE 103 -19.776   8.952  -1.103
  811   1HG1  ILE 103          HG12      ILE 103 -19.548  10.329   1.587
  812   2HG1  ILE 103          HG11      ILE 103 -18.245   9.448   0.797
  813   1HG2  ILE 103          HG21      ILE 103 -22.148   9.397  -0.913
  814   2HG2  ILE 103          HG22      ILE 103 -21.245  10.908  -0.810
  815   3HG2  ILE 103          HG23      ILE 103 -21.904  10.175   0.652
  816   1HD1  ILE 103          HD11      ILE 103 -19.599  11.918  -0.264
  817   2HD1  ILE 103          HD12      ILE 103 -18.289  11.037  -1.050
  818   3HD1  ILE 103          HD13      ILE 103 -18.007  11.843   0.493
  Start of MODEL   13
    1   1H    MET   1           HT1      MET   1  16.441  13.202 -11.165
    2   2H    MET   1           HT2      MET   1  15.636  12.276 -10.002
    3   3H    MET   1           HT3      MET   1  16.414  11.511 -11.301
    4    HA   MET   1           HA       MET   1  18.552  12.317 -10.506
    5   1HB   MET   1          HB2       MET   1  16.852  13.370  -8.242
    6   2HB   MET   1          HB1       MET   1  18.594  13.185  -8.132
    7   1HG   MET   1          HG2       MET   1  18.942  14.793  -9.859
    8   2HG   MET   1          HG1       MET   1  17.214  14.874 -10.198
    9   1HE   MET   1          HE1       MET   1  18.753  14.609  -6.614
   10   2HE   MET   1          HE2       MET   1  19.022  16.302  -6.201
   11   3HE   MET   1          HE3       MET   1  19.980  15.543  -7.472
   12    H    ALA   2           HN       ALA   2  16.423  11.462  -7.785
   13    HA   ALA   2           HA       ALA   2  17.921   8.932  -7.568
   14   1HB   ALA   2          HB1       ALA   2  18.190  10.441  -5.659
   15   2HB   ALA   2          HB2       ALA   2  17.355   8.957  -5.198
   16   3HB   ALA   2          HB3       ALA   2  16.442  10.449  -5.424
   17    H    THR   3           HN       THR   3  15.047  10.147  -8.601
   18    HA   THR   3           HA       THR   3  13.226   8.227  -7.540
   19    HB   THR   3           HB       THR   3  12.869   9.821 -10.079
   20    HG1  THR   3           HG1      THR   3  11.648  11.044  -8.100
   21   1HG2  THR   3          HG21      THR   3  10.482   9.682  -9.479
   22   2HG2  THR   3          HG22      THR   3  10.901   8.698  -8.076
   23   3HG2  THR   3          HG23      THR   3  11.198   8.085  -9.703
   24    H    GLU   4           HN       GLU   4  14.082   6.199  -7.901
   25    HA   GLU   4           HA       GLU   4  14.367   5.346 -10.702
   26   1HB   GLU   4          HB2       GLU   4  15.254   3.938  -8.170
   27   2HB   GLU   4          HB1       GLU   4  15.596   3.429  -9.817
   28   1HG   GLU   4          HG2       GLU   4  16.962   5.395 -10.172
   29   2HG   GLU   4          HG1       GLU   4  16.570   5.982  -8.557
   30    HA   PRO   5           HA       PRO   5  10.644   2.893 -10.184
   31   1HB   PRO   5          HB2       PRO   5  11.797   0.904 -12.002
   32   2HB   PRO   5          HB1       PRO   5  10.385   1.939 -12.235
   33   1HG   PRO   5          HG2       PRO   5  12.689   2.293 -13.607
   34   2HG   PRO   5          HG1       PRO   5  11.624   3.641 -13.166
   35   1HD   PRO   5          HD2       PRO   5  14.177   2.739 -11.891
   36   2HD   PRO   5          HD1       PRO   5  13.591   4.388 -12.199
   37    HA   PRO   6           HA       PRO   6  12.722   0.298  -7.116
   38   1HB   PRO   6          HB2       PRO   6  10.078   0.274  -5.833
   39   2HB   PRO   6          HB1       PRO   6  11.604   0.919  -5.228
   40   1HG   PRO   6          HG2       PRO   6   9.618   2.554  -5.947
   41   2HG   PRO   6          HG1       PRO   6  11.308   2.967  -6.283
   42   1HD   PRO   6          HD2       PRO   6   9.272   1.744  -8.131
   43   2HD   PRO   6          HD1       PRO   6  10.346   3.135  -8.417
   44    H    LYS   7           HN       LYS   7  12.368  -1.856  -6.152
   45    HA   LYS   7           HA       LYS   7  10.641  -3.557  -7.832
   46   1HB   LYS   7          HB2       LYS   7  13.098  -4.568  -6.403
   47   2HB   LYS   7          HB1       LYS   7  12.194  -5.344  -7.682
   48   1HG   LYS   7          HG2       LYS   7  13.821  -2.858  -8.105
   49   2HG   LYS   7          HG1       LYS   7  14.466  -4.488  -8.291
   50   1HD   LYS   7          HD2       LYS   7  13.744  -4.436 -10.395
   51   2HD   LYS   7          HD1       LYS   7  12.093  -4.460  -9.762
   52   1HE   LYS   7          HE2       LYS   7  12.455  -2.589 -11.300
   53   2HE   LYS   7          HE1       LYS   7  12.066  -2.049  -9.664
   54   1HZ   LYS   7          HZ1       LYS   7  13.836  -0.713 -10.356
   55   2HZ   LYS   7          HZ2       LYS   7  14.700  -2.008 -11.028
   56   3HZ   LYS   7          HZ3       LYS   7  14.558  -1.861  -9.344
   57    H    ILE   8           HN       ILE   8   8.928  -3.326  -6.281
   58    HA   ILE   8           HA       ILE   8   9.603  -4.109  -3.581
   59    HB   ILE   8           HB       ILE   8   6.959  -3.195  -4.728
   60   1HG1  ILE   8          HG12      ILE   8   7.287  -1.402  -2.956
   61   2HG1  ILE   8          HG11      ILE   8   8.933  -1.990  -2.776
   62   1HG2  ILE   8          HG21      ILE   8   6.141  -3.316  -2.420
   63   2HG2  ILE   8          HG22      ILE   8   7.671  -4.054  -1.942
   64   3HG2  ILE   8          HG23      ILE   8   6.591  -4.902  -3.050
   65   1HD1  ILE   8          HD11      ILE   8   9.391  -1.415  -5.083
   66   2HD1  ILE   8          HD12      ILE   8   8.831  -0.022  -4.155
   67   3HD1  ILE   8          HD13      ILE   8   7.733  -0.840  -5.270
   68    H    VAL   9           HN       VAL   9   9.515  -6.088  -2.884
   69    HA   VAL   9           HA       VAL   9   8.383  -8.147  -4.642
   70    HB   VAL   9           HB       VAL   9  10.235  -8.526  -2.286
   71   1HG1  VAL   9          HG11      VAL   9  10.772 -10.650  -3.349
   72   2HG1  VAL   9          HG12      VAL   9   9.643 -10.293  -4.655
   73   3HG1  VAL   9          HG13      VAL   9   9.044 -10.534  -3.013
   74   1HG2  VAL   9          HG21      VAL   9  12.057  -8.644  -3.943
   75   2HG2  VAL   9          HG22      VAL   9  11.319  -7.044  -3.839
   76   3HG2  VAL   9          HG23      VAL   9  10.922  -8.115  -5.186
   77    H    TRP  10           HN       TRP  10   6.962  -9.706  -3.854
   78    HA   TRP  10           HA       TRP  10   5.537  -8.897  -1.447
   79   1HB   TRP  10          HB2       TRP  10   4.184  -9.308  -3.411
   80   2HB   TRP  10          HB1       TRP  10   4.850 -10.932  -3.578
   81    HD1  TRP  10           HD1      TRP  10   3.736  -9.544  -0.190
   82    HE1  TRP  10           HE1      TRP  10   1.740 -10.901   0.658
   83    HE3  TRP  10           HE3      TRP  10   2.884 -12.375  -4.356
   84    HZ2  TRP  10           HZ2      TRP  10   0.000 -12.916  -0.322
   85    HZ3  TRP  10           HZ3      TRP  10   1.032 -13.992  -4.320
   86    HH2  TRP  10           HH2      TRP  10  -0.379 -14.257  -2.345
   87    H    ASN  11           HN       ASN  11   6.174  -9.680   0.389
   88    HA   ASN  11           HA       ASN  11   7.470 -12.279   0.572
   89   1HB   ASN  11          HB2       ASN  11   8.158 -10.110   1.848
   90   2HB   ASN  11          HB1       ASN  11   6.809 -10.498   2.907
   91   1HD2  ASN  11          HD21      ASN  11   6.951 -12.245   4.268
   92   2HD2  ASN  11          HD22      ASN  11   8.437 -13.083   4.562
   93    H    GLU  12           HN       GLU  12   5.736 -13.570   0.010
   94    HA   GLU  12           HA       GLU  12   3.102 -13.309   0.733
   95   1HB   GLU  12          HB2       GLU  12   2.928 -15.762   0.170
   96   2HB   GLU  12          HB1       GLU  12   3.646 -14.735  -1.061
   97   1HG   GLU  12          HG2       GLU  12   5.838 -15.508  -0.534
   98   2HG   GLU  12          HG1       GLU  12   5.252 -16.358   0.896
   99    H    GLY  13           HN       GLY  13   5.633 -15.004   2.563
  100   1HA   GLY  13          HA2       GLY  13   3.870 -16.541   4.150
  101   2HA   GLY  13          HA1       GLY  13   5.547 -16.184   4.526
  102    H    LYS  14           HN       LYS  14   4.754 -13.230   4.301
  103    HA   LYS  14           HA       LYS  14   3.685 -13.052   7.042
  104   1HB   LYS  14          HB2       LYS  14   5.732 -11.386   5.598
  105   2HB   LYS  14          HB1       LYS  14   4.902 -10.784   7.021
  106   1HG   LYS  14          HG2       LYS  14   7.078 -11.657   7.598
  107   2HG   LYS  14          HG1       LYS  14   5.812 -12.634   8.338
  108   1HD   LYS  14          HD2       LYS  14   6.129 -14.377   6.731
  109   2HD   LYS  14          HD1       LYS  14   7.204 -13.364   5.765
  110   1HE   LYS  14          HE2       LYS  14   8.834 -13.350   7.537
  111   2HE   LYS  14          HE1       LYS  14   7.767 -14.280   8.583
  112   1HZ   LYS  14          HZ1       LYS  14   9.068 -15.180   6.072
  113   2HZ   LYS  14          HZ2       LYS  14   7.893 -16.084   6.889
  114   3HZ   LYS  14          HZ3       LYS  14   9.372 -15.743   7.644
  115    H    ARG  15           HN       ARG  15   2.828 -12.631   3.940
  116    HA   ARG  15           HA       ARG  15   1.185 -11.525   2.824
  117   1HB   ARG  15          HB2       ARG  15   0.242 -10.800   5.606
  118   2HB   ARG  15          HB1       ARG  15  -0.693 -10.595   4.131
  119   1HG   ARG  15          HG2       ARG  15  -0.681 -13.011   3.788
  120   2HG   ARG  15          HG1       ARG  15   0.264 -13.205   5.268
  121   1HD   ARG  15          HD2       ARG  15  -1.537 -12.244   6.577
  122   2HD   ARG  15          HD1       ARG  15  -2.476 -11.962   5.113
  123    HE   ARG  15           HE       ARG  15  -2.031 -14.631   5.051
  124   1HH1  ARG  15          HH11      ARG  15  -3.198 -12.505   7.574
  125   2HH1  ARG  15          HH12      ARG  15  -4.334 -13.662   8.207
  126   1HH2  ARG  15          HH21      ARG  15  -3.506 -16.173   5.887
  127   2HH2  ARG  15          HH22      ARG  15  -4.525 -15.741   7.233
  128    H    ARG  16           HN       ARG  16   3.488 -10.175   2.789
  129    HA   ARG  16           HA       ARG  16   2.636  -7.396   2.945
  130   1HB   ARG  16          HB2       ARG  16   4.868  -6.861   4.056
  131   2HB   ARG  16          HB1       ARG  16   3.577  -7.486   5.063
  132   1HG   ARG  16          HG2       ARG  16   4.576  -9.634   5.160
  133   2HG   ARG  16          HG1       ARG  16   5.727  -9.222   3.886
  134   1HD   ARG  16          HD2       ARG  16   5.606  -7.911   6.591
  135   2HD   ARG  16          HD1       ARG  16   6.719  -9.204   6.148
  136    HE   ARG  16           HE       ARG  16   6.760  -6.835   4.472
  137   1HH1  ARG  16          HH11      ARG  16   8.191  -8.510   7.201
  138   2HH1  ARG  16          HH12      ARG  16   9.744  -7.743   7.001
  139   1HH2  ARG  16          HH21      ARG  16   8.799  -5.853   4.214
  140   2HH2  ARG  16          HH22      ARG  16  10.091  -6.259   5.299
  141    H    PHE  17           HN       PHE  17   4.290  -5.914   2.100
  142    HA   PHE  17           HA       PHE  17   5.823  -7.178  -0.088
  143   1HB   PHE  17          HB2       PHE  17   4.723  -4.364   0.058
  144   2HB   PHE  17          HB1       PHE  17   5.630  -5.045  -1.284
  145    HD1  PHE  17           HD1      PHE  17   2.490  -4.120  -0.341
  146    HD2  PHE  17           HD2      PHE  17   4.533  -7.455  -2.015
  147    HE1  PHE  17           HE1      PHE  17   0.384  -4.897  -1.351
  148    HE2  PHE  17           HE2      PHE  17   2.433  -8.234  -3.026
  149    HZ   PHE  17           HZ       PHE  17   0.356  -6.910  -2.732
  150    H    GLU  18           HN       GLU  18   7.843  -6.099  -0.660
  151    HA   GLU  18           HA       GLU  18   9.021  -4.279   1.290
  152   1HB   GLU  18          HB2       GLU  18   9.387  -6.764   1.979
  153   2HB   GLU  18          HB1       GLU  18  10.492  -6.814   0.614
  154   1HG   GLU  18          HG2       GLU  18  11.833  -5.060   1.598
  155   2HG   GLU  18          HG1       GLU  18  10.714  -4.945   2.956
  156    H    THR  19           HN       THR  19  10.077  -2.770   0.183
  157    HA   THR  19           HA       THR  19  10.450  -2.885  -2.598
  158    HB   THR  19           HB       THR  19  10.289  -0.778  -1.254
  159    HG1  THR  19           HG1      THR  19  11.209   0.090  -2.949
  160   1HG2  THR  19          HG21      THR  19  11.711  -1.324   0.601
  161   2HG2  THR  19          HG22      THR  19  12.376   0.084  -0.232
  162   3HG2  THR  19          HG23      THR  19  13.104  -1.506  -0.464
  163    H    GLU  20           HN       GLU  20  12.688  -2.503  -3.612
  164    HA   GLU  20           HA       GLU  20  14.313  -4.781  -3.200
  165   1HB   GLU  20          HB2       GLU  20  15.788  -3.819  -4.869
  166   2HB   GLU  20          HB1       GLU  20  14.117  -3.602  -5.366
  167   1HG   GLU  20          HG2       GLU  20  14.204  -1.287  -4.514
  168   2HG   GLU  20          HG1       GLU  20  15.912  -1.525  -4.144
  169    H    ASP  21           HN       ASP  21  14.027  -2.007  -1.490
  170    HA   ASP  21           HA       ASP  21  16.839  -1.830  -0.711
  171   1HB   ASP  21          HB2       ASP  21  15.448   0.223  -1.219
  172   2HB   ASP  21          HB1       ASP  21  14.509  -0.140   0.221
  173    H    HIS  22           HN       HIS  22  13.846  -3.119   0.234
  174    HA   HIS  22           HA       HIS  22  13.258  -4.635   1.792
  175   1HB   HIS  22          HB2       HIS  22  16.187  -4.584   2.538
  176   2HB   HIS  22          HB1       HIS  22  15.010  -5.741   3.153
  177    HD1  HIS  22           HD1      HIS  22  13.902  -7.341   1.305
  178    HD2  HIS  22           HD2      HIS  22  17.284  -5.226   0.120
  179    HE1  HIS  22           HE1      HIS  22  14.719  -8.479  -0.788
  180    HE2  HIS  22           HE2      HIS  22  16.895  -7.335  -1.331
  181    H    GLU  23           HN       GLU  23  14.743  -1.701   2.718
  182    HA   GLU  23           HA       GLU  23  14.029  -1.963   5.517
  183   1HB   GLU  23          HB2       GLU  23  15.014   0.511   4.103
  184   2HB   GLU  23          HB1       GLU  23  15.105   0.142   5.819
  185   1HG   GLU  23          HG2       GLU  23  16.601  -1.308   3.642
  186   2HG   GLU  23          HG1       GLU  23  17.272  -0.057   4.690
  187    H    ALA  24           HN       ALA  24  12.609  -0.986   2.627
  188    HA   ALA  24           HA       ALA  24  10.469   0.441   4.055
  189   1HB   ALA  24          HB1       ALA  24   9.835   1.422   1.918
  190   2HB   ALA  24          HB2       ALA  24  11.115   0.518   1.109
  191   3HB   ALA  24          HB3       ALA  24  11.526   1.772   2.277
  192    H    PHE  25           HN       PHE  25   8.506  -0.490   4.132
  193    HA   PHE  25           HA       PHE  25   7.798  -2.612   2.313
  194   1HB   PHE  25          HB2       PHE  25   7.469  -4.274   4.134
  195   2HB   PHE  25          HB1       PHE  25   9.162  -3.889   3.833
  196    HD1  PHE  25           HD1      PHE  25   6.383  -3.647   6.190
  197    HD2  PHE  25           HD2      PHE  25  10.457  -2.644   5.479
  198    HE1  PHE  25           HE1      PHE  25   6.667  -3.128   8.576
  199    HE2  PHE  25           HE2      PHE  25  10.746  -2.118   7.867
  200    HZ   PHE  25           HZ       PHE  25   8.846  -2.363   9.420
  201    H    ILE  26           HN       ILE  26   5.675  -3.524   2.800
  202    HA   ILE  26           HA       ILE  26   4.001  -1.926   4.579
  203    HB   ILE  26           HB       ILE  26   3.939  -1.584   1.795
  204   1HG1  ILE  26          HG12      ILE  26   1.982  -0.897   3.989
  205   2HG1  ILE  26          HG11      ILE  26   3.306   0.087   3.373
  206   1HG2  ILE  26          HG21      ILE  26   1.501  -3.150   2.662
  207   2HG2  ILE  26          HG22      ILE  26   2.723  -3.685   1.511
  208   3HG2  ILE  26          HG23      ILE  26   1.694  -2.308   1.124
  209   1HD1  ILE  26          HD11      ILE  26   0.834  -0.682   1.846
  210   2HD1  ILE  26          HD12      ILE  26   2.150   0.332   1.254
  211   3HD1  ILE  26          HD13      ILE  26   1.147   0.884   2.596
  212    H    GLU  27           HN       GLU  27   2.482  -3.143   5.642
  213    HA   GLU  27           HA       GLU  27   2.446  -6.016   4.971
  214   1HB   GLU  27          HB2       GLU  27   3.187  -5.436   7.270
  215   2HB   GLU  27          HB1       GLU  27   1.647  -4.636   7.556
  216   1HG   GLU  27          HG2       GLU  27   0.506  -6.808   7.194
  217   2HG   GLU  27          HG1       GLU  27   2.084  -7.573   7.037
  218    H    TYR  28           HN       TYR  28   0.346  -7.128   4.942
  219    HA   TYR  28           HA       TYR  28  -1.981  -5.479   5.359
  220   1HB   TYR  28          HB2       TYR  28  -2.980  -5.760   3.184
  221   2HB   TYR  28          HB1       TYR  28  -1.406  -5.012   2.985
  222    HD1  TYR  28           HD1      TYR  28  -3.380  -8.058   2.448
  223    HD2  TYR  28           HD2      TYR  28   0.366  -6.146   1.803
  224    HE1  TYR  28           HE1      TYR  28  -2.817  -9.745   0.755
  225    HE2  TYR  28           HE2      TYR  28   0.943  -7.837   0.114
  226    HH   TYR  28           HH       TYR  28   0.338 -10.056  -0.563
  227    H    LYS  29           HN       LYS  29  -3.894  -6.651   5.575
  228    HA   LYS  29           HA       LYS  29  -3.535  -9.542   5.752
  229   1HB   LYS  29          HB2       LYS  29  -4.817  -9.519   7.920
  230   2HB   LYS  29          HB1       LYS  29  -3.173  -8.914   8.005
  231   1HG   LYS  29          HG2       LYS  29  -5.633  -7.185   7.874
  232   2HG   LYS  29          HG1       LYS  29  -4.814  -7.649   9.362
  233   1HD   LYS  29          HD2       LYS  29  -3.826  -5.881   7.141
  234   2HD   LYS  29          HD1       LYS  29  -4.064  -5.472   8.838
  235   1HE   LYS  29          HE2       LYS  29  -1.999  -7.426   7.827
  236   2HE   LYS  29          HE1       LYS  29  -1.679  -5.731   8.173
  237   1HZ   LYS  29          HZ1       LYS  29  -2.467  -7.844  10.099
  238   2HZ   LYS  29          HZ2       LYS  29  -2.439  -6.192  10.487
  239   3HZ   LYS  29          HZ3       LYS  29  -1.003  -6.981  10.038
  240    H    MET  30           HN       MET  30  -5.428 -10.757   5.553
  241    HA   MET  30           HA       MET  30  -7.240  -9.326   3.762
  242   1HB   MET  30          HB2       MET  30  -6.899 -12.318   4.155
  243   2HB   MET  30          HB1       MET  30  -7.731 -11.509   2.834
  244   1HG   MET  30          HG2       MET  30  -5.711 -10.655   1.954
  245   2HG   MET  30          HG1       MET  30  -4.806 -11.145   3.384
  246   1HE   MET  30          HE1       MET  30  -6.550 -14.126   0.315
  247   2HE   MET  30          HE2       MET  30  -6.741 -12.377   0.198
  248   3HE   MET  30          HE3       MET  30  -7.553 -13.268   1.485
  249    H    ARG  31           HN       ARG  31  -8.963  -8.604   4.625
  250    HA   ARG  31           HA       ARG  31 -10.268  -9.720   6.952
  251   1HB   ARG  31          HB2       ARG  31 -10.552  -7.308   5.220
  252   2HB   ARG  31          HB1       ARG  31 -11.937  -7.803   6.176
  253   1HG   ARG  31          HG2       ARG  31 -10.605  -6.035   7.202
  254   2HG   ARG  31          HG1       ARG  31 -10.686  -7.481   8.210
  255   1HD   ARG  31          HD2       ARG  31  -8.454  -8.090   7.561
  256   2HD   ARG  31          HD1       ARG  31  -8.411  -6.781   6.372
  257    HE   ARG  31           HE       ARG  31  -8.303  -5.200   8.141
  258   1HH1  ARG  31          HH11      ARG  31  -8.079  -8.529   9.233
  259   2HH1  ARG  31          HH12      ARG  31  -7.314  -8.112  10.739
  260   1HH2  ARG  31          HH21      ARG  31  -7.302  -4.647  10.095
  261   2HH2  ARG  31          HH22      ARG  31  -6.860  -5.893  11.232
  262    H    ASN  32           HN       ASN  32 -12.597 -10.138   6.917
  263    HA   ASN  32           HA       ASN  32 -14.535 -11.040   6.135
  264   1HB   ASN  32          HB2       ASN  32 -14.100  -8.862   4.637
  265   2HB   ASN  32          HB1       ASN  32 -14.013 -10.076   3.364
  266   1HD2  ASN  32          HD21      ASN  32 -15.999  -8.570   5.766
  267   2HD2  ASN  32          HD22      ASN  32 -17.523  -9.101   5.137
  268    H    ASN  33           HN       ASN  33 -12.588 -12.847   6.280
  269    HA   ASN  33           HA       ASN  33 -12.157 -14.993   5.695
  270   1HB   ASN  33          HB2       ASN  33 -14.369 -15.430   5.009
  271   2HB   ASN  33          HB1       ASN  33 -14.229 -14.402   3.590
  272   1HD2  ASN  33          HD21      ASN  33 -13.521 -15.247   1.723
  273   2HD2  ASN  33          HD22      ASN  33 -13.064 -16.902   1.500
  274    H    GLY  34           HN       GLY  34 -11.418 -12.315   3.902
  275   1HA   GLY  34          HA2       GLY  34  -9.140 -12.263   3.016
  276   2HA   GLY  34          HA1       GLY  34  -9.454 -13.834   2.302
  277    H    LYS  35           HN       LYS  35 -11.687 -11.122   2.328
  278    HA   LYS  35           HA       LYS  35 -11.364 -10.911  -0.596
  279   1HB   LYS  35          HB2       LYS  35 -13.871 -10.491   1.041
  280   2HB   LYS  35          HB1       LYS  35 -13.742 -10.282  -0.700
  281   1HG   LYS  35          HG2       LYS  35 -13.350 -12.850   0.809
  282   2HG   LYS  35          HG1       LYS  35 -14.770 -12.409  -0.145
  283   1HD   LYS  35          HD2       LYS  35 -13.327 -12.244  -2.149
  284   2HD   LYS  35          HD1       LYS  35 -11.960 -12.789  -1.179
  285   1HE   LYS  35          HE2       LYS  35 -12.848 -14.649  -2.419
  286   2HE   LYS  35          HE1       LYS  35 -13.180 -14.883  -0.703
  287   1HZ   LYS  35          HZ1       LYS  35 -15.134 -13.802  -2.662
  288   2HZ   LYS  35          HZ2       LYS  35 -15.436 -14.197  -1.040
  289   3HZ   LYS  35          HZ3       LYS  35 -15.076 -15.418  -2.157
  290    H    VAL  36           HN       VAL  36 -10.744  -9.402   2.201
  291    HA   VAL  36           HA       VAL  36 -10.750  -6.759   0.913
  292    HB   VAL  36           HB       VAL  36 -11.572  -7.403   3.751
  293   1HG1  VAL  36          HG11      VAL  36 -10.049  -5.497   3.780
  294   2HG1  VAL  36          HG12      VAL  36 -11.700  -4.975   4.115
  295   3HG1  VAL  36          HG13      VAL  36 -10.996  -4.705   2.520
  296   1HG2  VAL  36          HG21      VAL  36 -12.986  -5.949   1.518
  297   2HG2  VAL  36          HG22      VAL  36 -13.608  -6.183   3.153
  298   3HG2  VAL  36          HG23      VAL  36 -13.349  -7.574   2.098
  299    H    MET  37           HN       MET  37  -8.736  -5.958   0.830
  300    HA   MET  37           HA       MET  37  -6.705  -7.212   2.517
  301   1HB   MET  37          HB2       MET  37  -6.720  -5.899  -0.132
  302   2HB   MET  37          HB1       MET  37  -5.312  -5.550   0.860
  303   1HG   MET  37          HG2       MET  37  -4.924  -7.420  -0.641
  304   2HG   MET  37          HG1       MET  37  -4.824  -7.911   1.048
  305   1HE   MET  37          HE1       MET  37  -4.927 -10.446   0.072
  306   2HE   MET  37          HE2       MET  37  -5.137  -9.819  -1.561
  307   3HE   MET  37          HE3       MET  37  -6.256 -11.029  -0.930
  308    H    ASP  38           HN       ASP  38  -6.384  -6.275   4.385
  309    HA   ASP  38           HA       ASP  38  -6.746  -3.411   4.686
  310   1HB   ASP  38          HB2       ASP  38  -7.315  -5.360   6.372
  311   2HB   ASP  38          HB1       ASP  38  -5.619  -5.200   6.808
  312    H    LEU  39           HN       LEU  39  -5.162  -2.197   3.938
  313    HA   LEU  39           HA       LEU  39  -2.435  -3.152   3.839
  314   1HB   LEU  39          HB2       LEU  39  -3.821  -0.648   2.910
  315   2HB   LEU  39          HB1       LEU  39  -2.073  -0.737   2.952
  316    HG   LEU  39           HG       LEU  39  -2.008  -2.424   1.304
  317   1HD1  LEU  39          HD11      LEU  39  -3.856  -3.815   2.023
  318   2HD1  LEU  39          HD12      LEU  39  -3.993  -3.429   0.308
  319   3HD1  LEU  39          HD13      LEU  39  -5.006  -2.591   1.483
  320   1HD2  LEU  39          HD21      LEU  39  -2.339  -0.164   0.480
  321   2HD2  LEU  39          HD22      LEU  39  -4.087  -0.383   0.550
  322   3HD2  LEU  39          HD23      LEU  39  -3.124  -1.337  -0.576
  323    H    VAL  40           HN       VAL  40  -1.414  -3.185   5.715
  324    HA   VAL  40           HA       VAL  40  -1.874  -0.960   7.576
  325    HB   VAL  40           HB       VAL  40  -1.300  -3.874   8.083
  326   1HG1  VAL  40          HG11      VAL  40  -1.169  -1.646  10.106
  327   2HG1  VAL  40          HG12      VAL  40   0.206  -2.570   9.501
  328   3HG1  VAL  40          HG13      VAL  40  -1.048  -3.374  10.444
  329   1HG2  VAL  40          HG21      VAL  40  -3.631  -3.242   7.824
  330   2HG2  VAL  40          HG22      VAL  40  -3.446  -1.996   9.057
  331   3HG2  VAL  40          HG23      VAL  40  -3.297  -3.698   9.494
  332    H    HIS  41           HN       HIS  41  -0.219   0.367   7.774
  333    HA   HIS  41           HA       HIS  41   1.816   1.041   8.500
  334   1HB   HIS  41          HB2       HIS  41   1.877  -1.189   9.700
  335   2HB   HIS  41          HB1       HIS  41   2.754  -1.820   8.318
  336    HD1  HIS  41           HD1      HIS  41   3.469  -0.959  11.535
  337    HD2  HIS  41           HD2      HIS  41   5.144   0.227   7.920
  338    HE1  HIS  41           HE1      HIS  41   5.767  -0.108  12.099
  339    HE2  HIS  41           HE2      HIS  41   6.844   0.345   9.870
  340    H    THR  42           HN       THR  42   2.235   2.251   6.680
  341    HA   THR  42           HA       THR  42   3.934   1.043   4.636
  342    HB   THR  42           HB       THR  42   2.308   2.856   4.000
  343    HG1  THR  42           HG1      THR  42   3.679   3.420   2.492
  344   1HG2  THR  42          HG21      THR  42   4.160   4.584   5.652
  345   2HG2  THR  42          HG22      THR  42   2.466   4.232   6.006
  346   3HG2  THR  42          HG23      THR  42   2.890   5.183   4.581
  347    H    TYR  43           HN       TYR  43   6.160   1.263   4.609
  348    HA   TYR  43           HA       TYR  43   7.344   3.189   6.456
  349   1HB   TYR  43          HB2       TYR  43   7.210   0.825   7.478
  350   2HB   TYR  43          HB1       TYR  43   8.477   0.408   6.323
  351    HD1  TYR  43           HD1      TYR  43   7.822   3.326   8.592
  352    HD2  TYR  43           HD2      TYR  43  10.542   0.343   7.265
  353    HE1  TYR  43           HE1      TYR  43   9.533   4.208  10.123
  354    HE2  TYR  43           HE2      TYR  43  12.251   1.209   8.781
  355    HH   TYR  43           HH       TYR  43  11.558   3.489  11.245
  356    H    VAL  44           HN       VAL  44   9.366   3.939   5.857
  357    HA   VAL  44           HA       VAL  44  10.789   2.837   3.631
  358    HB   VAL  44           HB       VAL  44   9.002   4.010   2.417
  359   1HG1  VAL  44          HG11      VAL  44   8.818   6.450   2.494
  360   2HG1  VAL  44          HG12      VAL  44   9.997   6.497   3.804
  361   3HG1  VAL  44          HG13      VAL  44   8.434   5.716   4.051
  362   1HG2  VAL  44          HG21      VAL  44  11.208   3.875   1.413
  363   2HG2  VAL  44          HG22      VAL  44  11.668   5.391   2.189
  364   3HG2  VAL  44          HG23      VAL  44  10.403   5.378   0.960
  365    HA   PRO  45           HA       PRO  45  13.999   4.883   5.987
  366   1HB   PRO  45          HB2       PRO  45  15.663   4.621   3.582
  367   2HB   PRO  45          HB1       PRO  45  15.881   3.905   5.181
  368   1HG   PRO  45          HG2       PRO  45  15.166   2.445   3.033
  369   2HG   PRO  45          HG1       PRO  45  14.618   2.061   4.674
  370   1HD   PRO  45          HD2       PRO  45  13.147   3.396   2.446
  371   2HD   PRO  45          HD1       PRO  45  12.562   2.230   3.651
  372    H    SER  46           HN       SER  46  15.576   6.675   5.709
  373    HA   SER  46           HA       SER  46  14.207   8.983   4.906
  374   1HB   SER  46          HB2       SER  46  17.154   8.627   5.496
  375   2HB   SER  46          HB1       SER  46  16.286  10.165   5.468
  376    HG   SER  46           HG       SER  46  15.035   8.350   7.060
  377    H    PHE  47           HN       PHE  47  16.174   6.848   3.107
  378    HA   PHE  47           HA       PHE  47  17.195   8.636   1.172
  379   1HB   PHE  47          HB2       PHE  47  16.610   5.687   0.851
  380   2HB   PHE  47          HB1       PHE  47  17.704   6.651  -0.134
  381    HD1  PHE  47           HD1      PHE  47  17.375   4.585   2.741
  382    HD2  PHE  47           HD2      PHE  47  19.727   7.688   1.029
  383    HE1  PHE  47           HE1      PHE  47  19.220   4.014   4.260
  384    HE2  PHE  47           HE2      PHE  47  21.581   7.119   2.545
  385    HZ   PHE  47           HZ       PHE  47  21.329   5.282   4.164
  386    H    LYS  48           HN       LYS  48  14.079   7.125   1.578
  387    HA   LYS  48           HA       LYS  48  13.257   8.143  -1.050
  388   1HB   LYS  48          HB2       LYS  48  12.859   5.325  -0.038
  389   2HB   LYS  48          HB1       LYS  48  11.970   5.995  -1.398
  390   1HG   LYS  48          HG2       LYS  48  14.021   6.306  -2.637
  391   2HG   LYS  48          HG1       LYS  48  14.969   5.747  -1.259
  392   1HD   LYS  48          HD2       LYS  48  12.875   4.050  -2.602
  393   2HD   LYS  48          HD1       LYS  48  14.563   4.059  -3.106
  394   1HE   LYS  48          HE2       LYS  48  13.544   3.337  -0.356
  395   2HE   LYS  48          HE1       LYS  48  14.082   2.200  -1.591
  396   1HZ   LYS  48          HZ1       LYS  48  16.290   3.083  -1.473
  397   2HZ   LYS  48          HZ2       LYS  48  15.793   2.686   0.104
  398   3HZ   LYS  48          HZ3       LYS  48  15.806   4.303  -0.405
  399    H    ARG  49           HN       ARG  49  12.730   8.937   1.817
  400    HA   ARG  49           HA       ARG  49  10.109   8.195   2.560
  401   1HB   ARG  49          HB2       ARG  49  11.663  10.699   3.232
  402   2HB   ARG  49          HB1       ARG  49  10.141  10.243   3.985
  403   1HG   ARG  49          HG2       ARG  49  11.194   8.199   4.834
  404   2HG   ARG  49          HG1       ARG  49  12.723   8.703   4.112
  405   1HD   ARG  49          HD2       ARG  49  12.834   9.324   6.388
  406   2HD   ARG  49          HD1       ARG  49  12.537  10.810   5.487
  407    HE   ARG  49           HE       ARG  49  10.081   9.715   6.312
  408   1HH1  ARG  49          HH11      ARG  49  12.901  11.343   7.590
  409   2HH1  ARG  49          HH12      ARG  49  12.061  11.979   8.976
  410   1HH2  ARG  49          HH21      ARG  49   8.980  10.513   8.151
  411   2HH2  ARG  49          HH22      ARG  49   9.849  11.469   9.317
  412    H    GLY  50           HN       GLY  50  11.227  11.278   1.162
  413   1HA   GLY  50          HA2       GLY  50   8.472  11.896   0.400
  414   2HA   GLY  50          HA1       GLY  50   9.842  12.995   0.331
  415    H    LEU  51           HN       LEU  51  10.028   9.778  -0.962
  416    HA   LEU  51           HA       LEU  51  10.423  10.948  -3.611
  417   1HB   LEU  51          HB2       LEU  51  12.113   9.377  -2.494
  418   2HB   LEU  51          HB1       LEU  51  10.957   8.097  -2.815
  419    HG   LEU  51           HG       LEU  51  11.111   8.595  -5.237
  420   1HD1  LEU  51          HD11      LEU  51  13.305  10.482  -4.389
  421   2HD1  LEU  51          HD12      LEU  51  11.745  10.944  -5.075
  422   3HD1  LEU  51          HD13      LEU  51  12.904  10.038  -6.050
  423   1HD2  LEU  51          HD21      LEU  51  13.337   7.644  -5.559
  424   2HD2  LEU  51          HD22      LEU  51  12.486   6.841  -4.237
  425   3HD2  LEU  51          HD23      LEU  51  13.747   8.024  -3.887
  426    H    GLY  52           HN       GLY  52   8.163   9.051  -1.810
  427   1HA   GLY  52          HA2       GLY  52   5.950   8.862  -2.906
  428   2HA   GLY  52          HA1       GLY  52   6.822   8.375  -4.352
  429    H    LEU  53           HN       LEU  53   8.661   6.823  -2.471
  430    HA   LEU  53           HA       LEU  53   7.756   4.351  -3.275
  431   1HB   LEU  53          HB2       LEU  53  10.076   5.004  -2.574
  432   2HB   LEU  53          HB1       LEU  53   9.549   4.867  -0.911
  433    HG   LEU  53           HG       LEU  53  10.850   2.904  -1.934
  434   1HD1  LEU  53          HD11      LEU  53   9.731   2.738   0.206
  435   2HD1  LEU  53          HD12      LEU  53   9.526   1.246  -0.711
  436   3HD1  LEU  53          HD13      LEU  53   8.198   2.400  -0.597
  437   1HD2  LEU  53          HD21      LEU  53   8.147   2.392  -3.167
  438   2HD2  LEU  53          HD22      LEU  53   9.504   1.264  -3.143
  439   3HD2  LEU  53          HD23      LEU  53   9.631   2.779  -4.036
  440    H    ALA  54           HN       ALA  54   7.329   5.861  -0.074
  441    HA   ALA  54           HA       ALA  54   6.171   3.742   1.271
  442   1HB   ALA  54          HB1       ALA  54   5.435   6.653   1.535
  443   2HB   ALA  54          HB2       ALA  54   6.801   5.866   2.326
  444   3HB   ALA  54          HB3       ALA  54   5.152   5.394   2.737
  445    H    SER  55           HN       SER  55   4.516   6.249  -0.621
  446    HA   SER  55           HA       SER  55   1.957   5.075  -0.475
  447   1HB   SER  55          HB2       SER  55   3.052   6.961  -2.577
  448   2HB   SER  55          HB1       SER  55   1.350   6.671  -2.215
  449    HG   SER  55           HG       SER  55   2.333   8.584  -1.217
  450    H    HIS  56           HN       HIS  56   4.673   4.619  -2.673
  451    HA   HIS  56           HA       HIS  56   3.319   3.194  -4.697
  452   1HB   HIS  56          HB2       HIS  56   6.186   3.261  -3.806
  453   2HB   HIS  56          HB1       HIS  56   5.661   2.026  -4.942
  454    HD1  HIS  56           HD1      HIS  56   6.256   2.680  -7.229
  455    HD2  HIS  56           HD2      HIS  56   5.094   5.960  -4.939
  456    HE1  HIS  56           HE1      HIS  56   6.373   4.669  -8.774
  457    HE2  HIS  56           HE2      HIS  56   5.655   6.642  -7.378
  458    H    LEU  57           HN       LEU  57   4.600   2.233  -1.583
  459    HA   LEU  57           HA       LEU  57   4.292  -0.553  -1.884
  460   1HB   LEU  57          HB2       LEU  57   4.065   1.131   0.616
  461   2HB   LEU  57          HB1       LEU  57   4.246  -0.613   0.576
  462    HG   LEU  57           HG       LEU  57   6.295   1.296  -0.540
  463   1HD1  LEU  57          HD11      LEU  57   7.575   0.858   1.476
  464   2HD1  LEU  57          HD12      LEU  57   6.253  -0.117   2.118
  465   3HD1  LEU  57          HD13      LEU  57   6.031   1.615   1.871
  466   1HD2  LEU  57          HD21      LEU  57   6.423  -1.637   0.144
  467   2HD2  LEU  57          HD22      LEU  57   7.751  -0.653  -0.471
  468   3HD2  LEU  57          HD23      LEU  57   6.339  -0.962  -1.483
  469    H    CYS  58           HN       CYS  58   2.119   1.978  -0.704
  470    HA   CYS  58           HA       CYS  58  -0.091   0.324  -0.144
  471   1HB   CYS  58          HB2       CYS  58   0.084   2.661   0.622
  472   2HB   CYS  58          HB1       CYS  58  -0.075   3.215  -1.047
  473    HG   CYS  58           HG       CYS  58  -2.665   1.513  -0.879
  474    H    VAL  59           HN       VAL  59   0.906   1.995  -3.090
  475    HA   VAL  59           HA       VAL  59  -1.327   1.344  -4.674
  476    HB   VAL  59           HB       VAL  59   1.527   1.941  -5.463
  477   1HG1  VAL  59          HG11      VAL  59  -0.928   1.838  -7.214
  478   2HG1  VAL  59          HG12      VAL  59   0.417   0.698  -7.252
  479   3HG1  VAL  59          HG13      VAL  59   0.675   2.381  -7.713
  480   1HG2  VAL  59          HG21      VAL  59  -0.954   3.650  -5.408
  481   2HG2  VAL  59          HG22      VAL  59   0.621   4.155  -6.020
  482   3HG2  VAL  59          HG23      VAL  59   0.422   3.764  -4.313
  483    H    ALA  60           HN       ALA  60   1.651  -0.395  -3.968
  484    HA   ALA  60           HA       ALA  60   1.449  -2.412  -5.898
  485   1HB   ALA  60          HB1       ALA  60   3.464  -2.032  -4.554
  486   2HB   ALA  60          HB2       ALA  60   2.934  -3.711  -4.473
  487   3HB   ALA  60          HB3       ALA  60   2.616  -2.621  -3.125
  488    H    ALA  61           HN       ALA  61   0.045  -2.190  -2.635
  489    HA   ALA  61           HA       ALA  61  -1.105  -4.788  -2.733
  490   1HB   ALA  61          HB1       ALA  61  -1.845  -2.402  -1.053
  491   2HB   ALA  61          HB2       ALA  61  -0.707  -3.678  -0.618
  492   3HB   ALA  61          HB3       ALA  61  -2.421  -4.049  -0.802
  493    H    PHE  62           HN       PHE  62  -2.185  -1.554  -3.627
  494    HA   PHE  62           HA       PHE  62  -4.855  -2.112  -4.234
  495   1HB   PHE  62          HB2       PHE  62  -2.905  -0.131  -5.389
  496   2HB   PHE  62          HB1       PHE  62  -4.535  -0.283  -6.030
  497    HD1  PHE  62           HD1      PHE  62  -6.132  -0.639  -3.602
  498    HD2  PHE  62           HD2      PHE  62  -2.810   1.919  -4.344
  499    HE1  PHE  62           HE1      PHE  62  -6.923   0.896  -1.835
  500    HE2  PHE  62           HE2      PHE  62  -3.610   3.459  -2.604
  501    HZ   PHE  62           HZ       PHE  62  -5.734   3.011  -1.440
  502    H    GLU  63           HN       GLU  63  -2.022  -2.164  -6.368
  503    HA   GLU  63           HA       GLU  63  -3.217  -3.012  -8.712
  504   1HB   GLU  63          HB2       GLU  63  -0.475  -3.579  -7.588
  505   2HB   GLU  63          HB1       GLU  63  -0.950  -4.043  -9.216
  506   1HG   GLU  63          HG2       GLU  63  -1.019  -1.218  -8.184
  507   2HG   GLU  63          HG1       GLU  63   0.334  -1.917  -9.070
  508    H    HIS  64           HN       HIS  64  -2.217  -4.888  -5.931
  509    HA   HIS  64           HA       HIS  64  -2.476  -7.450  -7.141
  510   1HB   HIS  64          HB2       HIS  64  -1.108  -7.083  -5.137
  511   2HB   HIS  64          HB1       HIS  64  -2.542  -6.645  -4.221
  512    HD1  HIS  64           HD1      HIS  64  -0.540  -9.544  -5.342
  513    HD2  HIS  64           HD2      HIS  64  -4.269  -8.863  -3.622
  514    HE1  HIS  64           HE1      HIS  64  -1.293 -11.764  -4.437
  515    HE2  HIS  64           HE2      HIS  64  -3.629 -11.372  -3.588
  516    H    ALA  65           HN       ALA  65  -4.552  -5.663  -4.867
  517    HA   ALA  65           HA       ALA  65  -6.566  -7.674  -4.865
  518   1HB   ALA  65          HB1       ALA  65  -7.877  -6.106  -3.562
  519   2HB   ALA  65          HB2       ALA  65  -6.745  -4.811  -3.955
  520   3HB   ALA  65          HB3       ALA  65  -6.217  -6.178  -2.974
  521    H    SER  66           HN       SER  66  -6.358  -4.465  -6.424
  522    HA   SER  66           HA       SER  66  -8.904  -4.372  -7.510
  523   1HB   SER  66          HB2       SER  66  -7.927  -2.890  -9.260
  524   2HB   SER  66          HB1       SER  66  -7.436  -2.454  -7.624
  525    HG   SER  66           HG       SER  66  -5.431  -3.140  -8.010
  526    H    SER  67           HN       SER  67  -6.001  -5.911  -8.864
  527    HA   SER  67           HA       SER  67  -7.113  -6.635 -11.335
  528   1HB   SER  67          HB2       SER  67  -4.679  -6.675 -10.815
  529   2HB   SER  67          HB1       SER  67  -4.947  -8.088  -9.797
  530    HG   SER  67           HG       SER  67  -5.269  -7.855 -12.609
  531    H    HIS  68           HN       HIS  68  -7.178  -8.244  -8.191
  532    HA   HIS  68           HA       HIS  68  -8.562 -10.549  -9.352
  533   1HB   HIS  68          HB2       HIS  68  -6.685 -10.697  -7.589
  534   2HB   HIS  68          HB1       HIS  68  -7.899 -10.164  -6.435
  535    HD1  HIS  68           HD1      HIS  68  -6.917 -13.071  -8.560
  536    HD2  HIS  68           HD2      HIS  68  -9.786 -12.106  -5.711
  537    HE1  HIS  68           HE1      HIS  68  -7.996 -15.254  -7.916
  538    HE2  HIS  68           HE2      HIS  68  -9.789 -14.639  -6.250
  539    H    SER  69           HN       SER  69  -9.563  -7.635  -8.687
  540    HA   SER  69           HA       SER  69 -11.529  -6.640  -8.126
  541   1HB   SER  69          HB2       SER  69 -12.556  -9.482  -8.303
  542   2HB   SER  69          HB1       SER  69 -13.591  -8.072  -8.085
  543    HG   SER  69           HG       SER  69 -11.754  -8.110 -10.216
  544    H    ILE  70           HN       ILE  70  -9.687  -7.680  -6.046
  545    HA   ILE  70           HA       ILE  70 -11.433  -8.352  -3.825
  546    HB   ILE  70           HB       ILE  70  -8.454  -7.797  -3.862
  547   1HG1  ILE  70          HG12      ILE  70  -9.946 -10.432  -3.843
  548   2HG1  ILE  70          HG11      ILE  70  -9.111  -9.749  -5.233
  549   1HG2  ILE  70          HG21      ILE  70  -9.427  -7.471  -1.658
  550   2HG2  ILE  70          HG22      ILE  70  -8.424  -8.922  -1.687
  551   3HG2  ILE  70          HG23      ILE  70 -10.183  -9.062  -1.739
  552   1HD1  ILE  70          HD11      ILE  70  -7.782 -11.473  -4.169
  553   2HD1  ILE  70          HD12      ILE  70  -7.831 -10.588  -2.644
  554   3HD1  ILE  70          HD13      ILE  70  -6.993  -9.901  -4.035
  555    H    SER  71           HN       SER  71 -11.720  -7.011  -1.976
  556    HA   SER  71           HA       SER  71 -11.523  -4.158  -2.560
  557   1HB   SER  71          HB2       SER  71 -12.837  -5.555  -0.212
  558   2HB   SER  71          HB1       SER  71 -13.009  -3.855  -0.647
  559    HG   SER  71           HG       SER  71 -13.758  -4.899  -2.784
  560    H    ILE  72           HN       ILE  72 -10.871  -2.761  -0.599
  561    HA   ILE  72           HA       ILE  72  -8.618  -3.970   0.852
  562    HB   ILE  72           HB       ILE  72  -8.451  -1.687  -1.130
  563   1HG1  ILE  72          HG12      ILE  72  -7.040  -4.331  -0.855
  564   2HG1  ILE  72          HG11      ILE  72  -8.074  -3.781  -2.169
  565   1HG2  ILE  72          HG21      ILE  72  -6.358  -2.407   0.911
  566   2HG2  ILE  72          HG22      ILE  72  -7.321  -0.930   0.875
  567   3HG2  ILE  72          HG23      ILE  72  -6.166  -1.259  -0.414
  568   1HD1  ILE  72          HD11      ILE  72  -5.739  -3.771  -2.820
  569   2HD1  ILE  72          HD12      ILE  72  -5.361  -2.670  -1.495
  570   3HD1  ILE  72          HD13      ILE  72  -6.404  -2.137  -2.814
  571    H    ILE  73           HN       ILE  73  -7.957  -2.785   2.652
  572    HA   ILE  73           HA       ILE  73  -9.444  -0.353   3.397
  573    HB   ILE  73           HB       ILE  73  -8.906  -2.769   5.146
  574   1HG1  ILE  73          HG12      ILE  73 -10.931  -2.996   3.845
  575   2HG1  ILE  73          HG11      ILE  73 -11.348  -2.714   5.532
  576   1HG2  ILE  73          HG21      ILE  73  -9.875  -1.465   7.003
  577   2HG2  ILE  73          HG22      ILE  73  -9.895  -0.038   5.965
  578   3HG2  ILE  73          HG23      ILE  73  -8.357  -0.784   6.412
  579   1HD1  ILE  73          HD11      ILE  73 -11.813  -0.376   5.013
  580   2HD1  ILE  73          HD12      ILE  73 -12.807  -1.480   4.061
  581   3HD1  ILE  73          HD13      ILE  73 -11.418  -0.681   3.321
  582    HA   PRO  74           HA       PRO  74  -5.027   0.350   3.852
  583   1HB   PRO  74          HB2       PRO  74  -5.303   3.088   3.300
  584   2HB   PRO  74          HB1       PRO  74  -4.912   1.811   2.150
  585   1HG   PRO  74          HG2       PRO  74  -7.274   3.346   2.210
  586   2HG   PRO  74          HG1       PRO  74  -6.985   1.888   1.247
  587   1HD   PRO  74          HD2       PRO  74  -8.436   2.200   3.830
  588   2HD   PRO  74          HD1       PRO  74  -8.718   1.055   2.498
  589    H    SER  75           HN       SER  75  -4.821   0.059   6.084
  590    HA   SER  75           HA       SER  75  -5.341   2.179   7.954
  591   1HB   SER  75          HB2       SER  75  -5.164  -0.255   8.586
  592   2HB   SER  75          HB1       SER  75  -3.437  -0.168   8.243
  593    HG   SER  75           HG       SER  75  -4.874   1.321  10.200
  594    H    CYS  76           HN       CYS  76  -2.960   1.410   5.664
  595    HA   CYS  76           HA       CYS  76  -0.866   3.121   6.439
  596   1HB   CYS  76          HB2       CYS  76  -1.670   2.409   3.612
  597   2HB   CYS  76          HB1       CYS  76  -0.121   3.040   4.137
  598    HG   CYS  76           HG       CYS  76   0.945   0.737   4.426
  599    H    SER  77           HN       SER  77  -3.687   4.164   6.573
  600    HA   SER  77           HA       SER  77  -4.474   5.839   4.587
  601   1HB   SER  77          HB2       SER  77  -5.639   7.084   6.563
  602   2HB   SER  77          HB1       SER  77  -6.061   5.411   6.199
  603    HG   SER  77           HG       SER  77  -5.590   5.111   8.230
  604    H    TYR  78           HN       TYR  78  -1.673   6.524   6.504
  605    HA   TYR  78           HA       TYR  78  -1.527   9.294   6.101
  606   1HB   TYR  78          HB2       TYR  78   0.474   8.734   7.024
  607   2HB   TYR  78          HB1       TYR  78   0.387   7.090   6.407
  608    HD1  TYR  78           HD1      TYR  78   1.352  10.557   5.519
  609    HD2  TYR  78           HD2      TYR  78   1.690   6.435   4.515
  610    HE1  TYR  78           HE1      TYR  78   3.137  11.113   3.921
  611    HE2  TYR  78           HE2      TYR  78   3.471   6.974   2.905
  612    HH   TYR  78           HH       TYR  78   4.253   8.871   1.591
  613    H    VAL  79           HN       VAL  79  -0.770   6.606   3.920
  614    HA   VAL  79           HA       VAL  79  -0.362   8.106   1.564
  615    HB   VAL  79           HB       VAL  79  -1.397   5.271   1.842
  616   1HG1  VAL  79          HG11      VAL  79  -0.063   6.613  -0.501
  617   2HG1  VAL  79          HG12      VAL  79  -1.777   6.215  -0.375
  618   3HG1  VAL  79          HG13      VAL  79  -0.572   4.926  -0.411
  619   1HG2  VAL  79          HG21      VAL  79   0.733   5.537   2.984
  620   2HG2  VAL  79          HG22      VAL  79   1.435   6.262   1.539
  621   3HG2  VAL  79          HG23      VAL  79   0.928   4.573   1.519
  622    H    SER  80           HN       SER  80  -3.190   6.514   2.956
  623    HA   SER  80           HA       SER  80  -4.970   6.907   0.846
  624   1HB   SER  80          HB2       SER  80  -5.705   6.934   3.776
  625   2HB   SER  80          HB1       SER  80  -6.721   6.442   2.418
  626    HG   SER  80           HG       SER  80  -5.723   4.681   3.590
  627    H    ASP  81           HN       ASP  81  -4.118   9.036   3.499
  628    HA   ASP  81           HA       ASP  81  -6.247  10.863   3.127
  629   1HB   ASP  81          HB2       ASP  81  -5.137  10.707   5.262
  630   2HB   ASP  81          HB1       ASP  81  -3.584  11.113   4.542
  631    H    THR  82           HN       THR  82  -2.808  10.993   2.170
  632    HA   THR  82           HA       THR  82  -3.320  13.430   0.667
  633    HB   THR  82           HB       THR  82  -1.246  13.454   1.834
  634    HG1  THR  82           HG1      THR  82  -0.539  14.437   0.105
  635   1HG2  THR  82          HG21      THR  82  -0.903  11.051   2.101
  636   2HG2  THR  82          HG22      THR  82   0.542  11.819   1.442
  637   3HG2  THR  82          HG23      THR  82  -0.533  10.904   0.383
  638    H    PHE  83           HN       PHE  83  -2.209  10.130  -0.050
  639    HA   PHE  83           HA       PHE  83  -1.748  10.695  -2.807
  640   1HB   PHE  83          HB2       PHE  83  -0.733   8.904  -1.163
  641   2HB   PHE  83          HB1       PHE  83  -2.040   7.912  -1.791
  642    HD1  PHE  83           HD1      PHE  83  -1.517   6.534  -3.529
  643    HD2  PHE  83           HD2      PHE  83   0.569  10.220  -3.135
  644    HE1  PHE  83           HE1      PHE  83  -0.167   5.981  -5.512
  645    HE2  PHE  83           HE2      PHE  83   1.924   9.673  -5.108
  646    HZ   PHE  83           HZ       PHE  83   1.557   7.551  -6.301
  647    H    LEU  84           HN       LEU  84  -4.422   9.157  -1.052
  648    HA   LEU  84           HA       LEU  84  -5.563   7.988  -3.365
  649   1HB   LEU  84          HB2       LEU  84  -6.532   8.478  -0.607
  650   2HB   LEU  84          HB1       LEU  84  -7.712   8.085  -1.847
  651    HG   LEU  84           HG       LEU  84  -5.294   6.391  -1.201
  652   1HD1  LEU  84          HD11      LEU  84  -6.897   4.870  -0.146
  653   2HD1  LEU  84          HD12      LEU  84  -8.182   6.049  -0.404
  654   3HD1  LEU  84          HD13      LEU  84  -6.842   6.428   0.677
  655   1HD2  LEU  84          HD21      LEU  84  -7.738   5.852  -2.895
  656   2HD2  LEU  84          HD22      LEU  84  -6.422   4.720  -2.572
  657   3HD2  LEU  84          HD23      LEU  84  -6.115   6.187  -3.502
  658    HA   PRO  85           HA       PRO  85  -8.279  12.055  -3.626
  659   1HB   PRO  85          HB2       PRO  85  -6.221  13.913  -2.573
  660   2HB   PRO  85          HB1       PRO  85  -7.978  13.971  -2.403
  661   1HG   PRO  85          HG2       PRO  85  -6.410  13.267  -0.364
  662   2HG   PRO  85          HG1       PRO  85  -7.988  12.501  -0.625
  663   1HD   PRO  85          HD2       PRO  85  -5.247  11.442  -1.185
  664   2HD   PRO  85          HD1       PRO  85  -6.699  10.593  -0.611
  665    H    ARG  86           HN       ARG  86  -4.800  11.835  -3.739
  666    HA   ARG  86           HA       ARG  86  -4.363  13.495  -5.999
  667   1HB   ARG  86          HB2       ARG  86  -2.669  12.941  -4.293
  668   2HB   ARG  86          HB1       ARG  86  -2.671  11.275  -4.838
  669   1HG   ARG  86          HG2       ARG  86  -1.728  11.920  -6.956
  670   2HG   ARG  86          HG1       ARG  86  -1.855  13.630  -6.523
  671   1HD   ARG  86          HD2       ARG  86  -0.326  13.290  -4.663
  672   2HD   ARG  86          HD1       ARG  86  -0.224  11.574  -5.035
  673    HE   ARG  86           HE       ARG  86   0.549  13.027  -7.303
  674   1HH1  ARG  86          HH11      ARG  86   1.635  12.398  -4.037
  675   2HH1  ARG  86          HH12      ARG  86   3.329  12.522  -4.429
  676   1HH2  ARG  86          HH21      ARG  86   2.758  13.230  -7.837
  677   2HH2  ARG  86          HH22      ARG  86   3.968  13.037  -6.601
  678    H    ASN  87           HN       ASN  87  -5.084  10.069  -5.597
  679    HA   ASN  87           HA       ASN  87  -5.956  10.003  -8.332
  680   1HB   ASN  87          HB2       ASN  87  -4.707   8.066  -9.073
  681   2HB   ASN  87          HB1       ASN  87  -3.599   9.354  -8.640
  682   1HD2  ASN  87          HD21      ASN  87  -3.675   8.889  -5.797
  683   2HD2  ASN  87          HD22      ASN  87  -2.853   7.399  -5.518
  684    HA   PRO  88           HA       PRO  88  -8.629   7.701  -5.477
  685   1HB   PRO  88          HB2       PRO  88 -10.900   8.867  -6.729
  686   2HB   PRO  88          HB1       PRO  88 -10.183   9.309  -5.182
  687   1HG   PRO  88          HG2       PRO  88 -10.224  10.897  -7.469
  688   2HG   PRO  88          HG1       PRO  88  -9.188  11.139  -6.054
  689   1HD   PRO  88          HD2       PRO  88  -8.548   9.918  -8.690
  690   2HD   PRO  88          HD1       PRO  88  -7.517  10.865  -7.599
  691    H    SER  89           HN       SER  89  -7.551   6.336  -7.617
  692    HA   SER  89           HA       SER  89  -9.706   5.502  -9.390
  693   1HB   SER  89          HB2       SER  89  -6.914   4.360  -9.237
  694   2HB   SER  89          HB1       SER  89  -8.024   4.332 -10.609
  695    HG   SER  89           HG       SER  89  -7.821   6.794 -10.320
  696    H    TRP  90           HN       TRP  90  -8.737   4.778  -6.345
  697    HA   TRP  90           HA       TRP  90  -9.085   1.874  -6.588
  698   1HB   TRP  90          HB2       TRP  90  -7.972   3.324  -4.198
  699   2HB   TRP  90          HB1       TRP  90  -7.729   1.646  -4.681
  700    HD1  TRP  90           HD1      TRP  90  -6.117   4.966  -4.872
  701    HE1  TRP  90           HE1      TRP  90  -4.110   4.915  -6.475
  702    HE3  TRP  90           HE3      TRP  90  -7.012   0.465  -7.133
  703    HZ2  TRP  90           HZ2      TRP  90  -3.045   3.187  -8.449
  704    HZ3  TRP  90           HZ3      TRP  90  -5.451  -0.311  -8.872
  705    HH2  TRP  90           HH2      TRP  90  -3.513   1.025  -9.512
  706    H    LYS  91           HN       LYS  91 -11.051   4.299  -6.123
  707    HA   LYS  91           HA       LYS  91 -12.309   4.026  -3.671
  708   1HB   LYS  91          HB2       LYS  91 -13.411   4.762  -6.372
  709   2HB   LYS  91          HB1       LYS  91 -14.408   4.756  -4.926
  710   1HG   LYS  91          HG2       LYS  91 -12.891   6.405  -3.902
  711   2HG   LYS  91          HG1       LYS  91 -11.959   6.445  -5.403
  712   1HD   LYS  91          HD2       LYS  91 -13.882   7.244  -6.624
  713   2HD   LYS  91          HD1       LYS  91 -14.898   7.086  -5.193
  714   1HE   LYS  91          HE2       LYS  91 -13.582   8.810  -4.060
  715   2HE   LYS  91          HE1       LYS  91 -12.544   8.950  -5.483
  716   1HZ   LYS  91          HZ1       LYS  91 -14.317   9.795  -6.757
  717   2HZ   LYS  91          HZ2       LYS  91 -14.363  10.648  -5.290
  718   3HZ   LYS  91          HZ3       LYS  91 -15.471   9.397  -5.583
  719    HA   PRO  92           HA       PRO  92 -15.118   0.535  -5.772
  720   1HB   PRO  92          HB2       PRO  92 -13.543  -1.053  -7.416
  721   2HB   PRO  92          HB1       PRO  92 -14.753   0.110  -7.964
  722   1HG   PRO  92          HG2       PRO  92 -11.793   0.425  -7.711
  723   2HG   PRO  92          HG1       PRO  92 -12.881   1.013  -8.983
  724   1HD   PRO  92          HD2       PRO  92 -11.956   2.665  -7.115
  725   2HD   PRO  92          HD1       PRO  92 -13.634   2.793  -7.684
  726    H    LEU  93           HN       LEU  93 -11.944   0.550  -4.532
  727    HA   LEU  93           HA       LEU  93 -12.173  -2.247  -3.640
  728   1HB   LEU  93          HB2       LEU  93  -9.743  -0.487  -3.411
  729   2HB   LEU  93          HB1       LEU  93  -9.826  -2.236  -3.307
  730    HG   LEU  93           HG       LEU  93 -10.350  -0.654  -5.819
  731   1HD1  LEU  93          HD11      LEU  93  -8.150  -1.434  -6.545
  732   2HD1  LEU  93          HD12      LEU  93  -7.890  -2.181  -4.970
  733   3HD1  LEU  93          HD13      LEU  93  -8.026  -0.427  -5.103
  734   1HD2  LEU  93          HD21      LEU  93 -11.475  -2.819  -5.756
  735   2HD2  LEU  93          HD22      LEU  93  -9.952  -3.610  -5.342
  736   3HD2  LEU  93          HD23      LEU  93 -10.147  -2.837  -6.919
  737    H    ILE  94           HN       ILE  94 -11.880   1.073  -2.549
  738    HA   ILE  94           HA       ILE  94 -11.630   0.133   0.234
  739    HB   ILE  94           HB       ILE  94  -9.999   1.896   0.649
  740   1HG1  ILE  94          HG12      ILE  94 -10.338   2.468  -2.298
  741   2HG1  ILE  94          HG11      ILE  94 -10.725   3.548  -0.961
  742   1HG2  ILE  94          HG21      ILE  94  -9.188  -0.296  -0.038
  743   2HG2  ILE  94          HG22      ILE  94  -8.125   0.988  -0.618
  744   3HG2  ILE  94          HG23      ILE  94  -9.251   0.206  -1.727
  745   1HD1  ILE  94          HD11      ILE  94  -8.669   4.211  -2.008
  746   2HD1  ILE  94          HD12      ILE  94  -7.992   2.601  -1.760
  747   3HD1  ILE  94          HD13      ILE  94  -8.356   3.628  -0.373
  748    H    HIS  95           HN       HIS  95 -11.313   2.676   1.316
  749    HA   HIS  95           HA       HIS  95 -13.925   3.719   1.529
  750   1HB   HIS  95          HB2       HIS  95 -11.228   4.881   2.276
  751   2HB   HIS  95          HB1       HIS  95 -12.757   5.639   2.692
  752    HD1  HIS  95           HD1      HIS  95 -11.911   5.413   5.189
  753    HD2  HIS  95           HD2      HIS  95 -12.683   1.814   3.252
  754    HE1  HIS  95           HE1      HIS  95 -11.971   3.673   6.998
  755    HE2  HIS  95           HE2      HIS  95 -12.568   1.522   5.827
  756    H    SER  96           HN       SER  96 -11.214   5.786   0.654
  757    HA   SER  96           HA       SER  96 -11.652   6.404  -1.981
  758   1HB   SER  96          HB2       SER  96 -13.936   7.117  -1.405
  759   2HB   SER  96          HB1       SER  96 -13.301   8.186  -0.150
  760    HG   SER  96           HG       SER  96 -12.027   8.862  -2.315
  761    H    GLU  97           HN       GLU  97 -10.770   7.188   1.180
  762    HA   GLU  97           HA       GLU  97  -8.382   8.537   0.583
  763   1HB   GLU  97          HB2       GLU  97 -10.120  10.331   0.105
  764   2HB   GLU  97          HB1       GLU  97 -10.604  10.220   1.791
  765   1HG   GLU  97          HG2       GLU  97  -8.041  10.693   2.193
  766   2HG   GLU  97          HG1       GLU  97  -8.169  11.410   0.584
  767    H    VAL  98           HN       VAL  98  -8.642   9.994   3.244
  768    HA   VAL  98           HA       VAL  98  -8.350   7.702   4.949
  769    HB   VAL  98           HB       VAL  98  -6.903   9.609   5.330
  770   1HG1  VAL  98          HG11      VAL  98  -7.748  11.708   6.261
  771   2HG1  VAL  98          HG12      VAL  98  -9.401  11.142   6.014
  772   3HG1  VAL  98          HG13      VAL  98  -8.342  11.413   4.628
  773   1HG2  VAL  98          HG21      VAL  98  -7.393   8.191   7.222
  774   2HG2  VAL  98          HG22      VAL  98  -8.821   9.153   7.606
  775   3HG2  VAL  98          HG23      VAL  98  -7.212   9.864   7.750
  776    H    PHE  99           HN       PHE  99 -10.763  10.332   4.584
  777    HA   PHE  99           HA       PHE  99 -12.918   8.655   5.246
  778   1HB   PHE  99          HB2       PHE  99 -13.574   9.469   7.444
  779   2HB   PHE  99          HB1       PHE  99 -11.977   8.744   7.523
  780    HD1  PHE  99           HD1      PHE  99 -10.022  10.085   8.010
  781    HD2  PHE  99           HD2      PHE  99 -13.879  11.858   7.728
  782    HE1  PHE  99           HE1      PHE  99  -9.152  12.132   9.055
  783    HE2  PHE  99           HE2      PHE  99 -13.016  13.906   8.782
  784    HZ   PHE  99           HZ       PHE  99 -10.650  14.024   9.487
  785    H    LYS 100           HN       LYS 100 -11.914  11.045   3.605
  786    HA   LYS 100           HA       LYS 100 -13.300  13.381   4.202
  787   1HB   LYS 100          HB2       LYS 100 -12.987  14.031   1.903
  788   2HB   LYS 100          HB1       LYS 100 -11.551  13.171   2.443
  789   1HG   LYS 100          HG2       LYS 100 -11.890  11.430   1.032
  790   2HG   LYS 100          HG1       LYS 100 -13.647  11.544   1.139
  791   1HD   LYS 100          HD2       LYS 100 -13.563  13.572  -0.267
  792   2HD   LYS 100          HD1       LYS 100 -11.832  13.351  -0.411
  793   1HE   LYS 100          HE2       LYS 100 -12.165  11.210  -1.510
  794   2HE   LYS 100          HE1       LYS 100 -13.911  11.402  -1.346
  795   1HZ   LYS 100          HZ1       LYS 100 -13.127  12.037  -3.558
  796   2HZ   LYS 100          HZ2       LYS 100 -12.129  13.226  -2.875
  797   3HZ   LYS 100          HZ3       LYS 100 -13.814  13.354  -2.744
  798    H    SER 101           HN       SER 101 -14.453  10.452   2.770
  799    HA   SER 101           HA       SER 101 -17.059  11.625   2.261
  800   1HB   SER 101          HB2       SER 101 -16.322  12.006   0.128
  801   2HB   SER 101          HB1       SER 101 -15.074  10.759   0.227
  802    HG   SER 101           HG       SER 101 -17.692  10.607  -0.668
  803    H    SER 102           HN       SER 102 -15.284   8.671   1.399
  804    HA   SER 102           HA       SER 102 -17.424   7.090   2.598
  805   1HB   SER 102          HB2       SER 102 -15.047   6.075   1.034
  806   2HB   SER 102          HB1       SER 102 -16.560   5.234   1.365
  807    HG   SER 102           HG       SER 102 -17.549   7.054   0.134
  808    H    ILE 103           HN       ILE 103 -17.197   6.400   4.606
  809    HA   ILE 103           HA       ILE 103 -14.488   5.867   5.606
  810    HB   ILE 103           HB       ILE 103 -15.208   7.803   6.772
  811   1HG1  ILE 103          HG12      ILE 103 -15.479   6.979   9.129
  812   2HG1  ILE 103          HG11      ILE 103 -15.658   5.351   8.481
  813   1HG2  ILE 103          HG21      ILE 103 -17.329   7.986   7.966
  814   2HG2  ILE 103          HG22      ILE 103 -17.808   6.399   7.356
  815   3HG2  ILE 103          HG23      ILE 103 -17.568   7.742   6.236
  816   1HD1  ILE 103          HD11      ILE 103 -13.240   7.115   8.179
  817   2HD1  ILE 103          HD12      ILE 103 -13.421   5.486   7.524
  818   3HD1  ILE 103          HD13      ILE 103 -13.401   5.737   9.270
  Start of MODEL   14
    1   1H    MET   1           HT1      MET   1  21.128   6.856 -11.016
    2   2H    MET   1           HT2      MET   1  20.221   7.124  -9.609
    3   3H    MET   1           HT3      MET   1  21.006   8.421 -10.379
    4    HA   MET   1           HA       MET   1  19.593   8.246 -12.278
    5   1HB   MET   1          HB2       MET   1  18.406   5.904 -10.771
    6   2HB   MET   1          HB1       MET   1  17.624   6.671 -12.144
    7   1HG   MET   1          HG2       MET   1  18.753   4.670 -12.850
    8   2HG   MET   1          HG1       MET   1  19.538   6.082 -13.551
    9   1HE   MET   1          HE1       MET   1  20.790   3.115 -13.410
   10   2HE   MET   1          HE2       MET   1  22.461   3.505 -13.009
   11   3HE   MET   1          HE3       MET   1  21.588   4.481 -14.190
   12    H    ALA   2           HN       ALA   2  18.196   9.898 -12.211
   13    HA   ALA   2           HA       ALA   2  17.254  10.962  -9.762
   14   1HB   ALA   2          HB1       ALA   2  17.615  12.344 -11.743
   15   2HB   ALA   2          HB2       ALA   2  15.958  12.500 -11.157
   16   3HB   ALA   2          HB3       ALA   2  16.304  11.510 -12.573
   17    H    THR   3           HN       THR   3  15.531   9.364 -12.433
   18    HA   THR   3           HA       THR   3  13.407   8.618 -10.542
   19    HB   THR   3           HB       THR   3  13.385   8.430 -13.566
   20    HG1  THR   3           HG1      THR   3  12.015  10.338 -11.941
   21   1HG2  THR   3          HG21      THR   3  11.156   8.188 -11.539
   22   2HG2  THR   3          HG22      THR   3  11.847   6.866 -12.480
   23   3HG2  THR   3          HG23      THR   3  10.960   8.156 -13.291
   24    H    GLU   4           HN       GLU   4  14.602   6.945  -9.541
   25    HA   GLU   4           HA       GLU   4  15.464   4.719 -11.195
   26   1HB   GLU   4          HB2       GLU   4  16.213   3.725  -9.018
   27   2HB   GLU   4          HB1       GLU   4  16.958   5.266  -9.407
   28   1HG   GLU   4          HG2       GLU   4  15.403   6.385  -7.873
   29   2HG   GLU   4          HG1       GLU   4  14.706   4.820  -7.459
   30    HA   PRO   5           HA       PRO   5  11.479   2.794 -10.788
   31   1HB   PRO   5          HB2       PRO   5  12.755   0.454 -12.005
   32   2HB   PRO   5          HB1       PRO   5  11.467   1.481 -12.640
   33   1HG   PRO   5          HG2       PRO   5  13.956   1.495 -13.679
   34   2HG   PRO   5          HG1       PRO   5  12.942   2.949 -13.629
   35   1HD   PRO   5          HD2       PRO   5  15.192   2.145 -11.818
   36   2HD   PRO   5          HD1       PRO   5  14.821   3.738 -12.515
   37    HA   PRO   6           HA       PRO   6  12.553   0.640  -6.964
   38   1HB   PRO   6          HB2       PRO   6   9.618   0.518  -6.703
   39   2HB   PRO   6          HB1       PRO   6  10.818   1.202  -5.602
   40   1HG   PRO   6          HG2       PRO   6   9.188   2.771  -7.035
   41   2HG   PRO   6          HG1       PRO   6  10.866   3.235  -6.704
   42   1HD   PRO   6          HD2       PRO   6   9.677   2.092  -9.205
   43   2HD   PRO   6          HD1       PRO   6  10.888   3.379  -9.016
   44    H    LYS   7           HN       LYS   7  12.330  -1.473  -6.204
   45    HA   LYS   7           HA       LYS   7  11.029  -3.336  -8.080
   46   1HB   LYS   7          HB2       LYS   7  13.730  -3.131  -7.732
   47   2HB   LYS   7          HB1       LYS   7  13.325  -4.354  -6.537
   48   1HG   LYS   7          HG2       LYS   7  13.937  -5.408  -8.611
   49   2HG   LYS   7          HG1       LYS   7  12.221  -5.675  -8.292
   50   1HD   LYS   7          HD2       LYS   7  12.641  -5.100 -10.645
   51   2HD   LYS   7          HD1       LYS   7  11.635  -3.896  -9.842
   52   1HE   LYS   7          HE2       LYS   7  13.556  -2.438  -9.556
   53   2HE   LYS   7          HE1       LYS   7  14.608  -3.652 -10.282
   54   1HZ   LYS   7          HZ1       LYS   7  12.421  -2.155 -11.616
   55   2HZ   LYS   7          HZ2       LYS   7  13.247  -3.449 -12.327
   56   3HZ   LYS   7          HZ3       LYS   7  14.085  -2.032 -11.928
   57    H    ILE   8           HN       ILE   8   9.188  -3.481  -6.832
   58    HA   ILE   8           HA       ILE   8   9.494  -3.961  -3.984
   59    HB   ILE   8           HB       ILE   8   6.898  -3.708  -5.494
   60   1HG1  ILE   8          HG12      ILE   8   8.366  -1.745  -5.923
   61   2HG1  ILE   8          HG11      ILE   8   6.924  -1.330  -5.000
   62   1HG2  ILE   8          HG21      ILE   8   6.032  -3.009  -3.314
   63   2HG2  ILE   8          HG22      ILE   8   7.634  -3.230  -2.607
   64   3HG2  ILE   8          HG23      ILE   8   6.746  -4.619  -3.237
   65   1HD1  ILE   8          HD11      ILE   8   8.253  -1.302  -2.952
   66   2HD1  ILE   8          HD12      ILE   8   8.889  -0.182  -4.158
   67   3HD1  ILE   8          HD13      ILE   8   9.690  -1.728  -3.883
   68    H    VAL   9           HN       VAL   9   9.449  -5.901  -3.125
   69    HA   VAL   9           HA       VAL   9   8.552  -8.161  -4.800
   70    HB   VAL   9           HB       VAL   9  10.471  -8.248  -2.469
   71   1HG1  VAL   9          HG11      VAL   9   9.812 -10.268  -4.609
   72   2HG1  VAL   9          HG12      VAL   9   9.372 -10.367  -2.903
   73   3HG1  VAL   9          HG13      VAL   9  11.067 -10.454  -3.382
   74   1HG2  VAL   9          HG21      VAL   9  11.382  -6.884  -4.256
   75   2HG2  VAL   9          HG22      VAL   9  11.066  -8.175  -5.416
   76   3HG2  VAL   9          HG23      VAL   9  12.252  -8.413  -4.130
   77    H    TRP  10           HN       TRP  10   7.009  -9.502  -4.027
   78    HA   TRP  10           HA       TRP  10   5.603  -8.688  -1.663
   79   1HB   TRP  10          HB2       TRP  10   4.369  -9.421  -3.616
   80   2HB   TRP  10          HB1       TRP  10   5.151 -10.998  -3.558
   81    HD1  TRP  10           HD1      TRP  10   3.655  -9.233  -0.470
   82    HE1  TRP  10           HE1      TRP  10   1.754 -10.701   0.444
   83    HE3  TRP  10           HE3      TRP  10   3.526 -12.783  -4.149
   84    HZ2  TRP  10           HZ2      TRP  10   0.372 -13.044  -0.294
   85    HZ3  TRP  10           HZ3      TRP  10   1.879 -14.606  -3.969
   86    HH2  TRP  10           HH2      TRP  10   0.336 -14.731  -2.078
   87    H    ASN  11           HN       ASN  11   6.378  -9.171   0.253
   88    HA   ASN  11           HA       ASN  11   7.810 -11.667   0.704
   89   1HB   ASN  11          HB2       ASN  11   8.473  -9.363   1.684
   90   2HB   ASN  11          HB1       ASN  11   7.128  -9.594   2.793
   91   1HD2  ASN  11          HD21      ASN  11   7.293 -11.107   4.417
   92   2HD2  ASN  11          HD22      ASN  11   8.788 -11.867   4.839
   93    H    GLU  12           HN       GLU  12   6.020 -12.956   0.218
   94    HA   GLU  12           HA       GLU  12   3.455 -12.765   1.227
   95   1HB   GLU  12          HB2       GLU  12   3.746 -15.453   0.816
   96   2HB   GLU  12          HB1       GLU  12   3.342 -14.269  -0.418
   97   1HG   GLU  12          HG2       GLU  12   5.091 -15.644  -1.255
   98   2HG   GLU  12          HG1       GLU  12   5.766 -14.054  -0.922
   99    H    GLY  13           HN       GLY  13   6.283 -14.273   2.656
  100   1HA   GLY  13          HA2       GLY  13   5.076 -15.749   4.690
  101   2HA   GLY  13          HA1       GLY  13   6.661 -15.000   4.807
  102    H    LYS  14           HN       LYS  14   5.242 -12.331   4.315
  103    HA   LYS  14           HA       LYS  14   4.080 -12.012   7.007
  104   1HB   LYS  14          HB2       LYS  14   5.811 -10.035   5.509
  105   2HB   LYS  14          HB1       LYS  14   5.029  -9.730   7.054
  106   1HG   LYS  14          HG2       LYS  14   7.196 -11.740   6.497
  107   2HG   LYS  14          HG1       LYS  14   7.351 -10.223   7.388
  108   1HD   LYS  14          HD2       LYS  14   5.924 -11.044   9.141
  109   2HD   LYS  14          HD1       LYS  14   5.543 -12.495   8.213
  110   1HE   LYS  14          HE2       LYS  14   7.940 -13.123   8.313
  111   2HE   LYS  14          HE1       LYS  14   8.225 -11.732   9.356
  112   1HZ   LYS  14          HZ1       LYS  14   6.619 -12.680  10.935
  113   2HZ   LYS  14          HZ2       LYS  14   7.957 -13.690  10.688
  114   3HZ   LYS  14          HZ3       LYS  14   6.473 -14.055   9.950
  115    H    ARG  15           HN       ARG  15   3.285 -12.184   3.935
  116    HA   ARG  15           HA       ARG  15   1.831 -11.241   2.463
  117   1HB   ARG  15          HB2       ARG  15   0.407 -10.581   5.047
  118   2HB   ARG  15          HB1       ARG  15  -0.330 -10.526   3.450
  119   1HG   ARG  15          HG2       ARG  15   0.145 -12.925   3.177
  120   2HG   ARG  15          HG1       ARG  15   0.808 -12.954   4.807
  121   1HD   ARG  15          HD2       ARG  15  -1.346 -12.362   5.736
  122   2HD   ARG  15          HD1       ARG  15  -2.027 -12.197   4.115
  123    HE   ARG  15           HE       ARG  15  -1.066 -14.741   4.145
  124   1HH1  ARG  15          HH11      ARG  15  -3.273 -12.974   6.231
  125   2HH1  ARG  15          HH12      ARG  15  -4.169 -14.394   6.694
  126   1HH2  ARG  15          HH21      ARG  15  -2.248 -16.592   4.743
  127   2HH2  ARG  15          HH22      ARG  15  -3.574 -16.455   5.859
  128    H    ARG  16           HN       ARG  16   3.963  -9.628   2.777
  129    HA   ARG  16           HA       ARG  16   2.779  -6.943   2.699
  130   1HB   ARG  16          HB2       ARG  16   4.444  -6.008   4.088
  131   2HB   ARG  16          HB1       ARG  16   3.948  -7.477   4.902
  132   1HG   ARG  16          HG2       ARG  16   5.930  -8.622   4.054
  133   2HG   ARG  16          HG1       ARG  16   6.437  -7.131   3.252
  134   1HD   ARG  16          HD2       ARG  16   6.403  -6.011   5.483
  135   2HD   ARG  16          HD1       ARG  16   6.095  -7.582   6.214
  136    HE   ARG  16           HE       ARG  16   8.456  -7.452   4.540
  137   1HH1  ARG  16          HH11      ARG  16   7.156  -7.115   7.776
  138   2HH1  ARG  16          HH12      ARG  16   8.694  -7.326   8.558
  139   1HH2  ARG  16          HH21      ARG  16  10.456  -7.731   5.528
  140   2HH2  ARG  16          HH22      ARG  16  10.584  -7.695   7.266
  141    H    PHE  17           HN       PHE  17   3.913  -5.438   1.358
  142    HA   PHE  17           HA       PHE  17   5.640  -6.747  -0.625
  143   1HB   PHE  17          HB2       PHE  17   4.245  -4.067  -0.771
  144   2HB   PHE  17          HB1       PHE  17   5.214  -4.788  -2.051
  145    HD1  PHE  17           HD1      PHE  17   1.974  -4.283  -0.899
  146    HD2  PHE  17           HD2      PHE  17   4.430  -7.247  -2.713
  147    HE1  PHE  17           HE1      PHE  17  -0.035  -5.415  -1.760
  148    HE2  PHE  17           HE2      PHE  17   2.424  -8.378  -3.581
  149    HZ   PHE  17           HZ       PHE  17   0.204  -7.460  -3.133
  150    H    GLU  18           HN       GLU  18   7.714  -6.396  -0.639
  151    HA   GLU  18           HA       GLU  18   8.821  -4.350   1.165
  152   1HB   GLU  18          HB2       GLU  18   9.128  -7.038   1.272
  153   2HB   GLU  18          HB1       GLU  18  10.470  -6.613   0.227
  154   1HG   GLU  18          HG2       GLU  18  11.489  -5.306   1.886
  155   2HG   GLU  18          HG1       GLU  18  10.037  -5.307   2.889
  156    H    THR  19           HN       THR  19   9.993  -2.781   0.317
  157    HA   THR  19           HA       THR  19  10.439  -2.536  -2.475
  158    HB   THR  19           HB       THR  19  10.282  -0.564  -1.027
  159    HG1  THR  19           HG1      THR  19  11.894  -0.677  -2.942
  160   1HG2  THR  19          HG21      THR  19  12.850  -1.523   0.204
  161   2HG2  THR  19          HG22      THR  19  11.265  -1.537   0.973
  162   3HG2  THR  19          HG23      THR  19  12.031  -0.003   0.557
  163    H    GLU  20           HN       GLU  20  12.675  -2.289  -3.442
  164    HA   GLU  20           HA       GLU  20  14.302  -4.559  -3.030
  165   1HB   GLU  20          HB2       GLU  20  15.837  -3.522  -4.596
  166   2HB   GLU  20          HB1       GLU  20  14.185  -3.269  -5.145
  167   1HG   GLU  20          HG2       GLU  20  15.349  -1.149  -3.459
  168   2HG   GLU  20          HG1       GLU  20  16.012  -1.332  -5.081
  169    H    ASP  21           HN       ASP  21  13.894  -1.854  -1.265
  170    HA   ASP  21           HA       ASP  21  16.611  -1.622  -0.277
  171   1HB   ASP  21          HB2       ASP  21  15.678   0.472  -0.564
  172   2HB   ASP  21          HB1       ASP  21  14.077  -0.057  -0.105
  173    H    HIS  22           HN       HIS  22  13.621  -3.097   0.472
  174    HA   HIS  22           HA       HIS  22  13.006  -4.671   1.946
  175   1HB   HIS  22          HB2       HIS  22  15.961  -4.728   2.506
  176   2HB   HIS  22          HB1       HIS  22  14.821  -5.817   3.290
  177    HD1  HIS  22           HD1      HIS  22  13.552  -7.518   1.722
  178    HD2  HIS  22           HD2      HIS  22  16.664  -5.416  -0.073
  179    HE1  HIS  22           HE1      HIS  22  14.081  -8.765  -0.401
  180    HE2  HIS  22           HE2      HIS  22  16.061  -7.563  -1.398
  181    H    GLU  23           HN       GLU  23  14.382  -1.776   3.084
  182    HA   GLU  23           HA       GLU  23  13.628  -2.343   5.843
  183   1HB   GLU  23          HB2       GLU  23  14.701   0.251   4.726
  184   2HB   GLU  23          HB1       GLU  23  14.680  -0.267   6.409
  185   1HG   GLU  23          HG2       GLU  23  16.187  -2.186   5.649
  186   2HG   GLU  23          HG1       GLU  23  16.404  -1.264   4.157
  187    H    ALA  24           HN       ALA  24  12.372  -1.010   3.003
  188    HA   ALA  24           HA       ALA  24  10.115   0.177   4.461
  189   1HB   ALA  24          HB1       ALA  24  10.914   0.537   1.578
  190   2HB   ALA  24          HB2       ALA  24  11.174   1.703   2.877
  191   3HB   ALA  24          HB3       ALA  24   9.533   1.301   2.367
  192    H    PHE  25           HN       PHE  25   8.070  -0.578   4.159
  193    HA   PHE  25           HA       PHE  25   7.433  -2.438   2.092
  194   1HB   PHE  25          HB2       PHE  25   6.807  -4.300   3.642
  195   2HB   PHE  25          HB1       PHE  25   8.543  -4.051   3.472
  196    HD1  PHE  25           HD1      PHE  25   5.646  -3.693   5.704
  197    HD2  PHE  25           HD2      PHE  25   9.874  -3.350   5.340
  198    HE1  PHE  25           HE1      PHE  25   5.839  -3.515   8.147
  199    HE2  PHE  25           HE2      PHE  25  10.075  -3.181   7.787
  200    HZ   PHE  25           HZ       PHE  25   8.060  -3.314   9.195
  201    H    ILE  26           HN       ILE  26   5.235  -3.136   2.154
  202    HA   ILE  26           HA       ILE  26   3.532  -1.632   4.015
  203    HB   ILE  26           HB       ILE  26   3.578  -1.305   1.247
  204   1HG1  ILE  26          HG12      ILE  26   2.788   0.243   3.024
  205   2HG1  ILE  26          HG11      ILE  26   1.748   0.195   1.604
  206   1HG2  ILE  26          HG21      ILE  26   1.126  -2.905   1.971
  207   2HG2  ILE  26          HG22      ILE  26   2.411  -3.403   0.872
  208   3HG2  ILE  26          HG23      ILE  26   1.379  -2.035   0.457
  209   1HD1  ILE  26          HD11      ILE  26   0.441   0.270   3.648
  210   2HD1  ILE  26          HD12      ILE  26   1.230  -1.198   4.225
  211   3HD1  ILE  26          HD13      ILE  26   0.187  -1.256   2.802
  212    H    GLU  27           HN       GLU  27   2.263  -2.865   5.217
  213    HA   GLU  27           HA       GLU  27   2.251  -5.747   4.665
  214   1HB   GLU  27          HB2       GLU  27   3.057  -4.883   6.871
  215   2HB   GLU  27          HB1       GLU  27   1.460  -4.210   7.159
  216   1HG   GLU  27          HG2       GLU  27   0.570  -6.555   6.979
  217   2HG   GLU  27          HG1       GLU  27   2.249  -7.103   6.993
  218    H    TYR  28           HN       TYR  28   0.151  -6.927   4.847
  219    HA   TYR  28           HA       TYR  28  -2.180  -5.274   5.214
  220   1HB   TYR  28          HB2       TYR  28  -3.297  -5.861   3.123
  221   2HB   TYR  28          HB1       TYR  28  -1.824  -4.959   2.819
  222    HD1  TYR  28           HD1      TYR  28  -3.329  -8.337   2.717
  223    HD2  TYR  28           HD2      TYR  28  -0.115  -5.856   1.447
  224    HE1  TYR  28           HE1      TYR  28  -2.574 -10.105   1.185
  225    HE2  TYR  28           HE2      TYR  28   0.643  -7.617  -0.088
  226    HH   TYR  28           HH       TYR  28  -1.251 -10.395  -0.787
  227    H    LYS  29           HN       LYS  29  -4.127  -6.397   5.405
  228    HA   LYS  29           HA       LYS  29  -3.791  -9.211   6.204
  229   1HB   LYS  29          HB2       LYS  29  -5.428  -7.158   7.694
  230   2HB   LYS  29          HB1       LYS  29  -5.019  -8.786   8.220
  231   1HG   LYS  29          HG2       LYS  29  -2.790  -8.212   8.644
  232   2HG   LYS  29          HG1       LYS  29  -2.919  -6.721   7.706
  233   1HD   LYS  29          HD2       LYS  29  -4.258  -5.694   9.349
  234   2HD   LYS  29          HD1       LYS  29  -4.476  -7.210  10.234
  235   1HE   LYS  29          HE2       LYS  29  -1.888  -5.692   9.882
  236   2HE   LYS  29          HE1       LYS  29  -2.853  -5.772  11.356
  237   1HZ   LYS  29          HZ1       LYS  29  -1.604  -8.119  10.032
  238   2HZ   LYS  29          HZ2       LYS  29  -2.425  -8.118  11.514
  239   3HZ   LYS  29          HZ3       LYS  29  -0.946  -7.304  11.365
  240    H    MET  30           HN       MET  30  -5.307 -10.491   5.299
  241    HA   MET  30           HA       MET  30  -7.427  -9.210   3.785
  242   1HB   MET  30          HB2       MET  30  -6.680 -12.133   4.080
  243   2HB   MET  30          HB1       MET  30  -7.919 -11.513   2.996
  244   1HG   MET  30          HG2       MET  30  -6.254 -10.254   1.771
  245   2HG   MET  30          HG1       MET  30  -5.001 -10.796   2.885
  246   1HE   MET  30          HE1       MET  30  -4.201 -13.350   3.078
  247   2HE   MET  30          HE2       MET  30  -4.919 -14.658   2.138
  248   3HE   MET  30          HE3       MET  30  -5.874 -13.829   3.366
  249    H    ARG  31           HN       ARG  31  -8.984  -8.483   4.992
  250    HA   ARG  31           HA       ARG  31  -9.949  -9.904   7.345
  251   1HB   ARG  31          HB2       ARG  31 -10.598  -7.214   6.129
  252   2HB   ARG  31          HB1       ARG  31 -11.417  -7.856   7.545
  253   1HG   ARG  31          HG2       ARG  31  -9.451  -7.765   8.844
  254   2HG   ARG  31          HG1       ARG  31  -8.439  -7.490   7.425
  255   1HD   ARG  31          HD2       ARG  31  -8.916  -5.466   8.857
  256   2HD   ARG  31          HD1       ARG  31  -9.259  -5.300   7.137
  257    HE   ARG  31           HE       ARG  31 -11.581  -6.138   8.543
  258   1HH1  ARG  31          HH11      ARG  31  -9.558  -3.319   8.002
  259   2HH1  ARG  31          HH12      ARG  31 -10.874  -2.199   8.225
  260   1HH2  ARG  31          HH21      ARG  31 -13.297  -4.644   8.820
  261   2HH2  ARG  31          HH22      ARG  31 -12.976  -2.940   8.689
  262    H    ASN  32           HN       ASN  32 -12.427  -9.799   7.609
  263    HA   ASN  32           HA       ASN  32 -14.500 -10.505   6.981
  264   1HB   ASN  32          HB2       ASN  32 -14.119  -8.438   5.446
  265   2HB   ASN  32          HB1       ASN  32 -13.887  -9.619   4.165
  266   1HD2  ASN  32          HD21      ASN  32 -16.101  -8.079   6.273
  267   2HD2  ASN  32          HD22      ASN  32 -17.556  -8.709   5.577
  268    H    ASN  33           HN       ASN  33 -12.688 -12.444   7.140
  269    HA   ASN  33           HA       ASN  33 -12.308 -14.623   6.642
  270   1HB   ASN  33          HB2       ASN  33 -14.761 -14.661   6.068
  271   2HB   ASN  33          HB1       ASN  33 -14.316 -14.353   4.394
  272   1HD2  ASN  33          HD21      ASN  33 -15.185 -16.289   3.683
  273   2HD2  ASN  33          HD22      ASN  33 -14.447 -17.816   4.020
  274    H    GLY  34           HN       GLY  34 -11.558 -12.094   4.716
  275   1HA   GLY  34          HA2       GLY  34  -9.354 -12.214   3.662
  276   2HA   GLY  34          HA1       GLY  34  -9.828 -13.777   3.015
  277    H    LYS  35           HN       LYS  35 -12.100 -11.154   3.055
  278    HA   LYS  35           HA       LYS  35 -12.032 -11.112   0.122
  279   1HB   LYS  35          HB2       LYS  35 -14.105  -9.975   2.005
  280   2HB   LYS  35          HB1       LYS  35 -14.247 -10.111   0.258
  281   1HG   LYS  35          HG2       LYS  35 -14.036 -12.420   2.181
  282   2HG   LYS  35          HG1       LYS  35 -15.519 -11.837   1.428
  283   1HD   LYS  35          HD2       LYS  35 -14.629 -12.381  -0.775
  284   2HD   LYS  35          HD1       LYS  35 -13.119 -12.926  -0.038
  285   1HE   LYS  35          HE2       LYS  35 -14.630 -14.792  -0.606
  286   2HE   LYS  35          HE1       LYS  35 -14.285 -14.699   1.121
  287   1HZ   LYS  35          HZ1       LYS  35 -16.412 -13.697   1.503
  288   2HZ   LYS  35          HZ2       LYS  35 -16.645 -15.114   0.607
  289   3HZ   LYS  35          HZ3       LYS  35 -16.733 -13.608  -0.163
  290    H    VAL  36           HN       VAL  36 -11.162  -9.240   2.835
  291    HA   VAL  36           HA       VAL  36 -10.901  -6.842   1.147
  292    HB   VAL  36           HB       VAL  36 -11.665  -6.999   4.067
  293   1HG1  VAL  36          HG11      VAL  36 -10.051  -5.192   3.755
  294   2HG1  VAL  36          HG12      VAL  36 -11.666  -4.548   4.057
  295   3HG1  VAL  36          HG13      VAL  36 -11.009  -4.551   2.421
  296   1HG2  VAL  36          HG21      VAL  36 -13.658  -5.781   3.329
  297   2HG2  VAL  36          HG22      VAL  36 -13.501  -7.335   2.506
  298   3HG2  VAL  36          HG23      VAL  36 -13.079  -5.844   1.665
  299    H    MET  37           HN       MET  37  -8.872  -6.188   0.885
  300    HA   MET  37           HA       MET  37  -6.810  -7.250   2.652
  301   1HB   MET  37          HB2       MET  37  -6.742  -5.786   0.018
  302   2HB   MET  37          HB1       MET  37  -5.284  -6.018   0.984
  303   1HG   MET  37          HG2       MET  37  -5.749  -8.478   0.925
  304   2HG   MET  37          HG1       MET  37  -7.040  -8.138  -0.224
  305   1HE   MET  37          HE1       MET  37  -4.569 -10.140  -0.705
  306   2HE   MET  37          HE2       MET  37  -4.207  -9.777  -2.392
  307   3HE   MET  37          HE3       MET  37  -5.884  -9.897  -1.857
  308    H    ASP  38           HN       ASP  38  -6.447  -6.170   4.458
  309    HA   ASP  38           HA       ASP  38  -6.857  -3.298   4.569
  310   1HB   ASP  38          HB2       ASP  38  -7.352  -5.108   6.419
  311   2HB   ASP  38          HB1       ASP  38  -5.646  -4.914   6.787
  312    H    LEU  39           HN       LEU  39  -5.337  -2.118   3.683
  313    HA   LEU  39           HA       LEU  39  -2.607  -2.992   3.494
  314   1HB   LEU  39          HB2       LEU  39  -4.109  -0.538   2.637
  315   2HB   LEU  39          HB1       LEU  39  -2.356  -0.547   2.613
  316    HG   LEU  39           HG       LEU  39  -2.263  -2.169   0.948
  317   1HD1  LEU  39          HD11      LEU  39  -4.120  -3.469   0.123
  318   2HD1  LEU  39          HD12      LEU  39  -5.200  -2.684   1.275
  319   3HD1  LEU  39          HD13      LEU  39  -3.905  -3.731   1.853
  320   1HD2  LEU  39          HD21      LEU  39  -4.589  -0.373   0.333
  321   2HD2  LEU  39          HD22      LEU  39  -3.643  -1.259  -0.861
  322   3HD2  LEU  39          HD23      LEU  39  -2.882   0.004   0.107
  323    H    VAL  40           HN       VAL  40  -1.744  -3.144   5.495
  324    HA   VAL  40           HA       VAL  40  -2.161  -0.930   7.370
  325    HB   VAL  40           HB       VAL  40  -1.257  -3.770   7.898
  326   1HG1  VAL  40          HG11      VAL  40  -1.977  -1.574   9.827
  327   2HG1  VAL  40          HG12      VAL  40  -0.356  -2.196   9.521
  328   3HG1  VAL  40          HG13      VAL  40  -1.577  -3.238  10.253
  329   1HG2  VAL  40          HG21      VAL  40  -3.585  -3.685   7.204
  330   2HG2  VAL  40          HG22      VAL  40  -3.914  -2.454   8.424
  331   3HG2  VAL  40          HG23      VAL  40  -3.455  -4.084   8.918
  332    H    HIS  41           HN       HIS  41  -0.470   0.475   7.412
  333    HA   HIS  41           HA       HIS  41   1.526   1.066   8.360
  334   1HB   HIS  41          HB2       HIS  41   1.491  -1.017   9.671
  335   2HB   HIS  41          HB1       HIS  41   2.173  -1.884   8.309
  336    HD1  HIS  41           HD1      HIS  41   3.931  -2.516  10.260
  337    HD2  HIS  41           HD2      HIS  41   4.112   1.376   8.799
  338    HE1  HIS  41           HE1      HIS  41   6.180  -1.637  10.951
  339    HE2  HIS  41           HE2      HIS  41   6.150   0.790  10.289
  340    H    THR  42           HN       THR  42   1.750   2.117   6.374
  341    HA   THR  42           HA       THR  42   3.690   0.981   4.537
  342    HB   THR  42           HB       THR  42   1.979   2.375   3.527
  343    HG1  THR  42           HG1      THR  42   3.573   2.955   2.281
  344   1HG2  THR  42          HG21      THR  42   1.362   3.731   5.453
  345   2HG2  THR  42          HG22      THR  42   1.761   4.765   4.083
  346   3HG2  THR  42          HG23      THR  42   2.921   4.556   5.398
  347    H    TYR  43           HN       TYR  43   5.843   1.189   4.923
  348    HA   TYR  43           HA       TYR  43   6.692   3.571   6.367
  349   1HB   TYR  43          HB2       TYR  43   6.432   1.452   7.895
  350   2HB   TYR  43          HB1       TYR  43   7.977   1.000   7.172
  351    HD1  TYR  43           HD1      TYR  43   6.328   3.916   8.856
  352    HD2  TYR  43           HD2      TYR  43   9.920   1.766   8.105
  353    HE1  TYR  43           HE1      TYR  43   7.524   5.352  10.458
  354    HE2  TYR  43           HE2      TYR  43  11.120   3.192   9.693
  355    HH   TYR  43           HH       TYR  43   9.563   5.188  11.906
  356    H    VAL  44           HN       VAL  44   8.800   4.168   6.057
  357    HA   VAL  44           HA       VAL  44  10.423   2.746   4.112
  358    HB   VAL  44           HB       VAL  44   8.911   4.125   2.727
  359   1HG1  VAL  44          HG11      VAL  44   9.043   6.566   2.781
  360   2HG1  VAL  44          HG12      VAL  44  10.092   6.476   4.195
  361   3HG1  VAL  44          HG13      VAL  44   8.425   5.910   4.298
  362   1HG2  VAL  44          HG21      VAL  44  10.623   5.307   1.431
  363   2HG2  VAL  44          HG22      VAL  44  11.136   3.687   1.903
  364   3HG2  VAL  44          HG23      VAL  44  11.759   5.097   2.761
  365    HA   PRO  45           HA       PRO  45  13.453   4.397   6.942
  366   1HB   PRO  45          HB2       PRO  45  15.684   4.038   5.414
  367   2HB   PRO  45          HB1       PRO  45  14.879   2.725   6.280
  368   1HG   PRO  45          HG2       PRO  45  14.655   3.512   3.400
  369   2HG   PRO  45          HG1       PRO  45  14.812   1.894   4.112
  370   1HD   PRO  45          HD2       PRO  45  12.434   2.848   3.293
  371   2HD   PRO  45          HD1       PRO  45  12.578   1.809   4.726
  372    H    SER  46           HN       SER  46  15.373   5.940   6.860
  373    HA   SER  46           HA       SER  46  14.450   8.459   6.118
  374   1HB   SER  46          HB2       SER  46  17.334   7.742   6.637
  375   2HB   SER  46          HB1       SER  46  16.531   9.282   6.940
  376    HG   SER  46           HG       SER  46  16.870   7.510   8.706
  377    H    PHE  47           HN       PHE  47  16.073   6.123   4.231
  378    HA   PHE  47           HA       PHE  47  17.503   7.794   2.460
  379   1HB   PHE  47          HB2       PHE  47  16.395   5.018   2.015
  380   2HB   PHE  47          HB1       PHE  47  17.593   5.810   1.000
  381    HD1  PHE  47           HD1      PHE  47  16.978   4.089   4.147
  382    HD2  PHE  47           HD2      PHE  47  19.882   6.122   1.794
  383    HE1  PHE  47           HE1      PHE  47  18.763   3.170   5.562
  384    HE2  PHE  47           HE2      PHE  47  21.675   5.202   3.208
  385    HZ   PHE  47           HZ       PHE  47  21.115   3.726   5.096
  386    H    LYS  48           HN       LYS  48  14.147   6.860   2.626
  387    HA   LYS  48           HA       LYS  48  13.631   8.333   0.136
  388   1HB   LYS  48          HB2       LYS  48  12.659   5.541   0.765
  389   2HB   LYS  48          HB1       LYS  48  11.954   6.545  -0.491
  390   1HG   LYS  48          HG2       LYS  48  13.916   6.493  -1.782
  391   2HG   LYS  48          HG1       LYS  48  14.876   5.872  -0.439
  392   1HD   LYS  48          HD2       LYS  48  12.586   4.331  -1.628
  393   2HD   LYS  48          HD1       LYS  48  14.228   4.219  -2.262
  394   1HE   LYS  48          HE2       LYS  48  13.467   3.670   0.604
  395   2HE   LYS  48          HE1       LYS  48  13.644   2.428  -0.631
  396   1HZ   LYS  48          HZ1       LYS  48  15.956   3.009  -0.885
  397   2HZ   LYS  48          HZ2       LYS  48  15.645   2.683   0.750
  398   3HZ   LYS  48          HZ3       LYS  48  15.803   4.284   0.215
  399    H    ARG  49           HN       ARG  49  13.252   9.078   2.890
  400    HA   ARG  49           HA       ARG  49  10.614   8.697   3.781
  401   1HB   ARG  49          HB2       ARG  49  12.681  10.796   4.370
  402   2HB   ARG  49          HB1       ARG  49  11.071  10.879   5.073
  403   1HG   ARG  49          HG2       ARG  49  12.969   8.566   5.381
  404   2HG   ARG  49          HG1       ARG  49  12.733   9.851   6.569
  405   1HD   ARG  49          HD2       ARG  49  10.683   7.854   5.617
  406   2HD   ARG  49          HD1       ARG  49  11.439   7.918   7.208
  407    HE   ARG  49           HE       ARG  49   9.724  10.106   6.218
  408   1HH1  ARG  49          HH11      ARG  49  10.565   7.745   8.677
  409   2HH1  ARG  49          HH12      ARG  49   9.385   8.334   9.813
  410   1HH2  ARG  49          HH21      ARG  49   8.196  10.879   7.706
  411   2HH2  ARG  49          HH22      ARG  49   8.061  10.139   9.274
  412    H    GLY  50           HN       GLY  50   8.820   9.294   2.819
  413   1HA   GLY  50          HA2       GLY  50   7.231  10.604   1.817
  414   2HA   GLY  50          HA1       GLY  50   8.217  11.988   2.257
  415    H    LEU  51           HN       LEU  51   9.659   9.540   0.312
  416    HA   LEU  51           HA       LEU  51   9.957  11.400  -1.874
  417   1HB   LEU  51          HB2       LEU  51  11.757   9.826  -1.089
  418   2HB   LEU  51          HB1       LEU  51  10.796   8.506  -1.726
  419    HG   LEU  51           HG       LEU  51  11.002   9.462  -3.991
  420   1HD1  LEU  51          HD11      LEU  51  11.269  11.806  -3.363
  421   2HD1  LEU  51          HD12      LEU  51  12.589  11.272  -4.404
  422   3HD1  LEU  51          HD13      LEU  51  12.851  11.448  -2.670
  423   1HD2  LEU  51          HD21      LEU  51  12.567   7.758  -3.247
  424   2HD2  LEU  51          HD22      LEU  51  13.621   8.998  -2.568
  425   3HD2  LEU  51          HD23      LEU  51  13.366   8.913  -4.311
  426    H    GLY  52           HN       GLY  52   7.832   8.855  -1.010
  427   1HA   GLY  52          HA2       GLY  52   5.780   8.802  -2.439
  428   2HA   GLY  52          HA1       GLY  52   6.888   8.681  -3.797
  429    H    LEU  53           HN       LEU  53   8.673   6.929  -2.172
  430    HA   LEU  53           HA       LEU  53   7.914   4.493  -3.237
  431   1HB   LEU  53          HB2       LEU  53  10.191   5.149  -2.422
  432   2HB   LEU  53          HB1       LEU  53   9.633   4.898  -0.783
  433    HG   LEU  53           HG       LEU  53  11.015   3.036  -1.898
  434   1HD1  LEU  53          HD11      LEU  53   9.748   1.280  -0.789
  435   2HD1  LEU  53          HD12      LEU  53   8.350   2.350  -0.672
  436   3HD1  LEU  53          HD13      LEU  53   9.830   2.730   0.210
  437   1HD2  LEU  53          HD21      LEU  53   9.827   3.021  -4.021
  438   2HD2  LEU  53          HD22      LEU  53   8.344   2.533  -3.196
  439   3HD2  LEU  53          HD23      LEU  53   9.735   1.446  -3.231
  440    H    ALA  54           HN       ALA  54   7.373   5.722   0.049
  441    HA   ALA  54           HA       ALA  54   6.258   3.474   1.214
  442   1HB   ALA  54          HB1       ALA  54   5.472   6.345   1.706
  443   2HB   ALA  54          HB2       ALA  54   6.852   5.523   2.433
  444   3HB   ALA  54          HB3       ALA  54   5.212   4.988   2.800
  445    H    SER  55           HN       SER  55   4.583   6.073  -0.547
  446    HA   SER  55           HA       SER  55   2.022   4.892  -0.399
  447   1HB   SER  55          HB2       SER  55   2.981   6.810  -2.534
  448   2HB   SER  55          HB1       SER  55   1.345   6.617  -1.902
  449    HG   SER  55           HG       SER  55   1.958   8.239  -0.686
  450    H    HIS  56           HN       HIS  56   4.686   4.595  -2.688
  451    HA   HIS  56           HA       HIS  56   3.312   3.234  -4.737
  452   1HB   HIS  56          HB2       HIS  56   6.173   3.433  -3.919
  453   2HB   HIS  56          HB1       HIS  56   5.719   2.160  -5.047
  454    HD1  HIS  56           HD1      HIS  56   5.465   2.797  -7.444
  455    HD2  HIS  56           HD2      HIS  56   5.608   6.106  -4.921
  456    HE1  HIS  56           HE1      HIS  56   5.618   4.806  -8.958
  457    HE2  HIS  56           HE2      HIS  56   5.891   6.781  -7.406
  458    H    LEU  57           HN       LEU  57   4.704   2.170  -1.722
  459    HA   LEU  57           HA       LEU  57   4.466  -0.609  -2.107
  460   1HB   LEU  57          HB2       LEU  57   4.191   0.982   0.450
  461   2HB   LEU  57          HB1       LEU  57   4.476  -0.744   0.347
  462    HG   LEU  57           HG       LEU  57   6.403   1.303  -0.739
  463   1HD1  LEU  57          HD11      LEU  57   7.728   0.920   1.276
  464   2HD1  LEU  57          HD12      LEU  57   6.438  -0.086   1.935
  465   3HD1  LEU  57          HD13      LEU  57   6.162   1.635   1.660
  466   1HD2  LEU  57          HD21      LEU  57   6.578  -0.944  -1.695
  467   2HD2  LEU  57          HD22      LEU  57   6.729  -1.620  -0.072
  468   3HD2  LEU  57          HD23      LEU  57   7.981  -0.549  -0.703
  469    H    CYS  58           HN       CYS  58   2.259   1.822  -0.779
  470    HA   CYS  58           HA       CYS  58   0.102   0.082  -0.251
  471   1HB   CYS  58          HB2       CYS  58   0.217   2.359   0.651
  472   2HB   CYS  58          HB1       CYS  58   0.051   3.018  -0.979
  473    HG   CYS  58           HG       CYS  58  -2.512   1.325  -1.000
  474    H    VAL  59           HN       VAL  59   1.014   1.896  -3.139
  475    HA   VAL  59           HA       VAL  59  -1.232   1.352  -4.726
  476    HB   VAL  59           HB       VAL  59   1.647   1.776  -5.540
  477   1HG1  VAL  59          HG11      VAL  59  -0.823   1.865  -7.271
  478   2HG1  VAL  59          HG12      VAL  59   0.420   0.614  -7.313
  479   3HG1  VAL  59          HG13      VAL  59   0.818   2.268  -7.777
  480   1HG2  VAL  59          HG21      VAL  59   0.926   4.046  -6.051
  481   2HG2  VAL  59          HG22      VAL  59   0.643   3.652  -4.356
  482   3HG2  VAL  59          HG23      VAL  59  -0.703   3.660  -5.495
  483    H    ALA  60           HN       ALA  60   1.700  -0.497  -4.116
  484    HA   ALA  60           HA       ALA  60   1.366  -2.482  -6.049
  485   1HB   ALA  60          HB1       ALA  60   3.434  -2.175  -4.799
  486   2HB   ALA  60          HB2       ALA  60   2.860  -3.839  -4.688
  487   3HB   ALA  60          HB3       ALA  60   2.636  -2.736  -3.329
  488    H    ALA  61           HN       ALA  61  -0.058  -2.144  -2.817
  489    HA   ALA  61           HA       ALA  61  -1.206  -4.763  -2.841
  490   1HB   ALA  61          HB1       ALA  61  -1.954  -2.355  -1.192
  491   2HB   ALA  61          HB2       ALA  61  -0.756  -3.573  -0.757
  492   3HB   ALA  61          HB3       ALA  61  -2.457  -4.019  -0.893
  493    H    PHE  62           HN       PHE  62  -2.295  -1.533  -3.753
  494    HA   PHE  62           HA       PHE  62  -4.976  -2.145  -4.315
  495   1HB   PHE  62          HB2       PHE  62  -3.102  -0.088  -5.482
  496   2HB   PHE  62          HB1       PHE  62  -4.781  -0.230  -5.991
  497    HD1  PHE  62           HD1      PHE  62  -6.267  -0.628  -3.577
  498    HD2  PHE  62           HD2      PHE  62  -2.843   1.807  -4.244
  499    HE1  PHE  62           HE1      PHE  62  -6.927   0.809  -1.687
  500    HE2  PHE  62           HE2      PHE  62  -3.499   3.252  -2.364
  501    HZ   PHE  62           HZ       PHE  62  -5.620   2.799  -1.148
  502    H    GLU  63           HN       GLU  63  -2.155  -2.066  -6.466
  503    HA   GLU  63           HA       GLU  63  -3.349  -2.960  -8.808
  504   1HB   GLU  63          HB2       GLU  63  -0.561  -3.490  -7.765
  505   2HB   GLU  63          HB1       GLU  63  -1.073  -3.764  -9.424
  506   1HG   GLU  63          HG2       GLU  63  -1.265  -1.074  -8.114
  507   2HG   GLU  63          HG1       GLU  63   0.195  -1.627  -8.932
  508    H    HIS  64           HN       HIS  64  -2.265  -4.754  -6.011
  509    HA   HIS  64           HA       HIS  64  -2.397  -7.334  -7.233
  510   1HB   HIS  64          HB2       HIS  64  -0.990  -6.719  -5.225
  511   2HB   HIS  64          HB1       HIS  64  -2.476  -6.681  -4.283
  512    HD1  HIS  64           HD1      HIS  64  -2.643  -8.728  -2.927
  513    HD2  HIS  64           HD2      HIS  64  -0.982  -9.499  -6.659
  514    HE1  HIS  64           HE1      HIS  64  -2.189 -11.201  -2.970
  515    HE2  HIS  64           HE2      HIS  64  -1.253 -11.663  -5.263
  516    H    ALA  65           HN       ALA  65  -4.491  -5.553  -4.970
  517    HA   ALA  65           HA       ALA  65  -6.398  -7.679  -4.819
  518   1HB   ALA  65          HB1       ALA  65  -7.731  -6.153  -3.497
  519   2HB   ALA  65          HB2       ALA  65  -6.692  -4.807  -3.966
  520   3HB   ALA  65          HB3       ALA  65  -6.049  -6.117  -2.972
  521    H    SER  66           HN       SER  66  -6.409  -4.484  -6.420
  522    HA   SER  66           HA       SER  66  -8.945  -4.612  -7.546
  523   1HB   SER  66          HB2       SER  66  -7.525  -2.601  -7.594
  524   2HB   SER  66          HB1       SER  66  -6.448  -3.385  -8.748
  525    HG   SER  66           HG       SER  66  -9.220  -2.965  -9.229
  526    H    SER  67           HN       SER  67  -5.912  -6.006  -8.723
  527    HA   SER  67           HA       SER  67  -6.928  -6.913 -11.203
  528   1HB   SER  67          HB2       SER  67  -4.517  -6.677 -10.764
  529   2HB   SER  67          HB1       SER  67  -4.604  -7.964  -9.565
  530    HG   SER  67           HG       SER  67  -5.049  -8.171 -12.366
  531    H    HIS  68           HN       HIS  68  -6.811  -8.314  -7.980
  532    HA   HIS  68           HA       HIS  68  -7.778 -10.891  -8.933
  533   1HB   HIS  68          HB2       HIS  68  -5.990 -10.432  -7.077
  534   2HB   HIS  68          HB1       HIS  68  -7.390 -10.179  -6.043
  535    HD1  HIS  68           HD1      HIS  68  -9.120 -12.348  -6.029
  536    HD2  HIS  68           HD2      HIS  68  -5.192 -13.004  -7.234
  537    HE1  HIS  68           HE1      HIS  68  -8.732 -14.816  -5.761
  538    HE2  HIS  68           HE2      HIS  68  -6.287 -15.145  -6.281
  539    H    SER  69           HN       SER  69  -9.257  -8.089  -8.465
  540    HA   SER  69           HA       SER  69 -11.396  -7.423  -8.100
  541   1HB   SER  69          HB2       SER  69 -11.920  -9.454  -9.466
  542   2HB   SER  69          HB1       SER  69 -12.061 -10.376  -7.972
  543    HG   SER  69           HG       SER  69 -13.800  -9.073  -7.375
  544    H    ILE  70           HN       ILE  70  -9.596  -7.717  -5.911
  545    HA   ILE  70           HA       ILE  70 -11.317  -8.590  -3.698
  546    HB   ILE  70           HB       ILE  70  -8.340  -8.014  -3.715
  547   1HG1  ILE  70          HG12      ILE  70  -9.858 -10.633  -3.610
  548   2HG1  ILE  70          HG11      ILE  70  -8.918 -10.038  -4.974
  549   1HG2  ILE  70          HG21      ILE  70  -9.345  -7.566  -1.535
  550   2HG2  ILE  70          HG22      ILE  70  -8.314  -8.995  -1.479
  551   3HG2  ILE  70          HG23      ILE  70 -10.069  -9.174  -1.530
  552   1HD1  ILE  70          HD11      ILE  70  -6.889 -10.156  -3.600
  553   2HD1  ILE  70          HD12      ILE  70  -7.684 -11.722  -3.769
  554   3HD1  ILE  70          HD13      ILE  70  -7.846 -10.808  -2.269
  555    H    SER  71           HN       SER  71 -11.655  -7.213  -1.899
  556    HA   SER  71           HA       SER  71 -11.563  -4.373  -2.580
  557   1HB   SER  71          HB2       SER  71 -12.914  -5.770  -0.252
  558   2HB   SER  71          HB1       SER  71 -13.126  -4.080  -0.716
  559    HG   SER  71           HG       SER  71 -13.839  -6.373  -2.240
  560    H    ILE  72           HN       ILE  72 -11.045  -2.868  -0.649
  561    HA   ILE  72           HA       ILE  72  -8.762  -3.913   0.876
  562    HB   ILE  72           HB       ILE  72  -8.626  -1.639  -1.132
  563   1HG1  ILE  72          HG12      ILE  72  -7.213  -4.291  -0.871
  564   2HG1  ILE  72          HG11      ILE  72  -8.218  -3.720  -2.199
  565   1HG2  ILE  72          HG21      ILE  72  -7.505  -0.885   0.868
  566   2HG2  ILE  72          HG22      ILE  72  -6.324  -1.241  -0.396
  567   3HG2  ILE  72          HG23      ILE  72  -6.566  -2.377   0.933
  568   1HD1  ILE  72          HD11      ILE  72  -6.531  -2.083  -2.793
  569   2HD1  ILE  72          HD12      ILE  72  -5.861  -3.713  -2.789
  570   3HD1  ILE  72          HD13      ILE  72  -5.522  -2.618  -1.450
  571    H    ILE  73           HN       ILE  73  -8.148  -2.632   2.626
  572    HA   ILE  73           HA       ILE  73  -9.641  -0.180   3.233
  573    HB   ILE  73           HB       ILE  73  -9.329  -2.565   5.072
  574   1HG1  ILE  73          HG12      ILE  73 -11.341  -2.508   3.661
  575   2HG1  ILE  73          HG11      ILE  73 -11.741  -2.340   5.368
  576   1HG2  ILE  73          HG21      ILE  73 -10.147  -1.165   6.904
  577   2HG2  ILE  73          HG22      ILE  73 -10.082   0.250   5.852
  578   3HG2  ILE  73          HG23      ILE  73  -8.594  -0.594   6.291
  579   1HD1  ILE  73          HD11      ILE  73 -12.001   0.075   5.053
  580   2HD1  ILE  73          HD12      ILE  73 -13.080  -0.853   4.012
  581   3HD1  ILE  73          HD13      ILE  73 -11.624  -0.120   3.339
  582    HA   PRO  74           HA       PRO  74  -5.266   0.494   3.747
  583   1HB   PRO  74          HB2       PRO  74  -5.563   3.275   3.412
  584   2HB   PRO  74          HB1       PRO  74  -5.187   2.086   2.168
  585   1HG   PRO  74          HG2       PRO  74  -7.545   3.591   2.366
  586   2HG   PRO  74          HG1       PRO  74  -7.300   2.170   1.338
  587   1HD   PRO  74          HD2       PRO  74  -8.635   2.384   3.997
  588   2HD   PRO  74          HD1       PRO  74  -9.008   1.319   2.622
  589    H    SER  75           HN       SER  75  -4.916   0.063   5.948
  590    HA   SER  75           HA       SER  75  -5.181   2.130   7.920
  591   1HB   SER  75          HB2       SER  75  -3.430  -0.343   7.871
  592   2HB   SER  75          HB1       SER  75  -3.645   0.710   9.268
  593    HG   SER  75           HG       SER  75  -5.467  -1.064   8.049
  594    H    CYS  76           HN       CYS  76  -3.201   1.614   5.279
  595    HA   CYS  76           HA       CYS  76  -0.765   2.805   5.899
  596   1HB   CYS  76          HB2       CYS  76  -0.485   3.259   3.579
  597   2HB   CYS  76          HB1       CYS  76  -1.283   1.737   3.703
  598    HG   CYS  76           HG       CYS  76  -2.488   2.834   1.558
  599    H    SER  77           HN       SER  77  -3.241   4.361   6.890
  600    HA   SER  77           HA       SER  77  -4.214   6.115   5.066
  601   1HB   SER  77          HB2       SER  77  -4.078   6.586   8.040
  602   2HB   SER  77          HB1       SER  77  -5.264   7.250   6.916
  603    HG   SER  77           HG       SER  77  -5.604   4.846   6.428
  604    H    TYR  78           HN       TYR  78  -1.116   6.623   6.616
  605    HA   TYR  78           HA       TYR  78  -0.777   9.331   5.999
  606   1HB   TYR  78          HB2       TYR  78   1.203   8.495   6.839
  607   2HB   TYR  78          HB1       TYR  78   0.998   6.935   6.046
  608    HD1  TYR  78           HD1      TYR  78   1.950  10.478   5.398
  609    HD2  TYR  78           HD2      TYR  78   2.138   6.449   4.050
  610    HE1  TYR  78           HE1      TYR  78   3.526  11.143   3.635
  611    HE2  TYR  78           HE2      TYR  78   3.711   7.091   2.275
  612    HH   TYR  78           HH       TYR  78   5.148  10.277   2.200
  613    H    VAL  79           HN       VAL  79  -0.497   6.444   3.939
  614    HA   VAL  79           HA       VAL  79  -0.199   7.830   1.474
  615    HB   VAL  79           HB       VAL  79  -1.196   5.024   2.022
  616   1HG1  VAL  79          HG11      VAL  79  -1.825   5.819  -0.199
  617   2HG1  VAL  79          HG12      VAL  79  -0.614   4.539  -0.285
  618   3HG1  VAL  79          HG13      VAL  79  -0.141   6.221  -0.534
  619   1HG2  VAL  79          HG21      VAL  79   1.040   5.371   2.904
  620   2HG2  VAL  79          HG22      VAL  79   1.573   6.002   1.344
  621   3HG2  VAL  79          HG23      VAL  79   1.085   4.313   1.492
  622    H    SER  80           HN       SER  80  -2.900   6.221   3.108
  623    HA   SER  80           HA       SER  80  -4.886   6.565   1.231
  624   1HB   SER  80          HB2       SER  80  -5.372   6.998   4.175
  625   2HB   SER  80          HB1       SER  80  -6.470   6.302   2.981
  626    HG   SER  80           HG       SER  80  -4.650   4.672   2.771
  627    H    ASP  81           HN       ASP  81  -3.838   8.926   3.656
  628    HA   ASP  81           HA       ASP  81  -5.999  10.706   3.149
  629   1HB   ASP  81          HB2       ASP  81  -5.024  10.720   5.336
  630   2HB   ASP  81          HB1       ASP  81  -3.417  11.032   4.690
  631    H    THR  82           HN       THR  82  -2.564  10.730   2.225
  632    HA   THR  82           HA       THR  82  -3.032  13.185   0.749
  633    HB   THR  82           HB       THR  82  -0.954  13.113   1.979
  634    HG1  THR  82           HG1      THR  82  -0.722  14.313   0.156
  635   1HG2  THR  82          HG21      THR  82   0.860  11.583   1.406
  636   2HG2  THR  82          HG22      THR  82  -0.184  10.765   0.243
  637   3HG2  THR  82          HG23      THR  82  -0.556  10.692   1.966
  638    H    PHE  83           HN       PHE  83  -2.056   9.855   0.023
  639    HA   PHE  83           HA       PHE  83  -1.541  10.430  -2.728
  640   1HB   PHE  83          HB2       PHE  83  -0.486   8.645  -1.172
  641   2HB   PHE  83          HB1       PHE  83  -1.867   7.667  -1.640
  642    HD1  PHE  83           HD1      PHE  83  -1.627   6.275  -3.446
  643    HD2  PHE  83           HD2      PHE  83   0.729   9.807  -3.229
  644    HE1  PHE  83           HE1      PHE  83  -0.505   5.655  -5.545
  645    HE2  PHE  83           HE2      PHE  83   1.862   9.188  -5.322
  646    HZ   PHE  83           HZ       PHE  83   1.244   7.109  -6.482
  647    H    LEU  84           HN       LEU  84  -4.206   8.913  -0.967
  648    HA   LEU  84           HA       LEU  84  -5.419   7.797  -3.275
  649   1HB   LEU  84          HB2       LEU  84  -6.378   8.365  -0.515
  650   2HB   LEU  84          HB1       LEU  84  -7.536   7.915  -1.755
  651    HG   LEU  84           HG       LEU  84  -5.104   6.252  -1.096
  652   1HD1  LEU  84          HD11      LEU  84  -6.549   6.423   0.871
  653   2HD1  LEU  84          HD12      LEU  84  -6.591   4.807   0.166
  654   3HD1  LEU  84          HD13      LEU  84  -7.930   5.922  -0.104
  655   1HD2  LEU  84          HD21      LEU  84  -6.078   5.899  -3.311
  656   2HD2  LEU  84          HD22      LEU  84  -7.658   5.620  -2.575
  657   3HD2  LEU  84          HD23      LEU  84  -6.330   4.502  -2.266
  658    HA   PRO  85           HA       PRO  85  -7.973  11.944  -3.527
  659   1HB   PRO  85          HB2       PRO  85  -5.963  13.776  -2.373
  660   2HB   PRO  85          HB1       PRO  85  -7.721  13.798  -2.216
  661   1HG   PRO  85          HG2       PRO  85  -6.149  13.055  -0.191
  662   2HG   PRO  85          HG1       PRO  85  -7.720  12.285  -0.485
  663   1HD   PRO  85          HD2       PRO  85  -4.965  11.270  -1.082
  664   2HD   PRO  85          HD1       PRO  85  -6.400  10.394  -0.505
  665    H    ARG  86           HN       ARG  86  -4.500  11.627  -3.586
  666    HA   ARG  86           HA       ARG  86  -4.002  13.442  -5.719
  667   1HB   ARG  86          HB2       ARG  86  -2.336  12.563  -3.996
  668   2HB   ARG  86          HB1       ARG  86  -2.284  11.081  -4.940
  669   1HG   ARG  86          HG2       ARG  86  -1.522  12.397  -6.891
  670   2HG   ARG  86          HG1       ARG  86  -1.495  13.838  -5.869
  671   1HD   ARG  86          HD2       ARG  86   0.159  11.337  -5.552
  672   2HD   ARG  86          HD1       ARG  86   0.730  12.940  -6.014
  673    HE   ARG  86           HE       ARG  86  -0.473  13.241  -3.540
  674   1HH1  ARG  86          HH11      ARG  86   2.237  11.483  -4.903
  675   2HH1  ARG  86          HH12      ARG  86   3.121  11.428  -3.414
  676   1HH2  ARG  86          HH21      ARG  86   0.689  13.141  -1.552
  677   2HH2  ARG  86          HH22      ARG  86   2.238  12.348  -1.510
  678    H    ASN  87           HN       ASN  87  -4.399   9.930  -5.508
  679    HA   ASN  87           HA       ASN  87  -5.084   9.895  -8.371
  680   1HB   ASN  87          HB2       ASN  87  -3.436   7.792  -6.937
  681   2HB   ASN  87          HB1       ASN  87  -3.981   7.704  -8.606
  682   1HD2  ASN  87          HD21      ASN  87  -1.755   9.146  -6.389
  683   2HD2  ASN  87          HD22      ASN  87  -0.716   9.868  -7.574
  684    HA   PRO  88           HA       PRO  88  -8.332   7.984  -5.757
  685   1HB   PRO  88          HB2       PRO  88 -10.353   9.483  -7.073
  686   2HB   PRO  88          HB1       PRO  88  -9.690   9.758  -5.462
  687   1HG   PRO  88          HG2       PRO  88  -9.382  11.445  -7.666
  688   2HG   PRO  88          HG1       PRO  88  -8.428  11.493  -6.177
  689   1HD   PRO  88          HD2       PRO  88  -7.749  10.319  -8.825
  690   2HD   PRO  88          HD1       PRO  88  -6.692  11.078  -7.618
  691    H    SER  89           HN       SER  89  -7.844   6.051  -7.009
  692    HA   SER  89           HA       SER  89  -9.962   5.544  -8.988
  693   1HB   SER  89          HB2       SER  89  -7.703   5.990 -10.069
  694   2HB   SER  89          HB1       SER  89  -7.129   4.519  -9.287
  695    HG   SER  89           HG       SER  89  -8.427   3.309 -10.542
  696    H    TRP  90           HN       TRP  90  -9.100   4.861  -6.047
  697    HA   TRP  90           HA       TRP  90  -9.275   1.933  -6.323
  698   1HB   TRP  90          HB2       TRP  90  -8.053   3.356  -3.972
  699   2HB   TRP  90          HB1       TRP  90  -7.865   1.673  -4.445
  700    HD1  TRP  90           HD1      TRP  90  -6.129   4.896  -4.638
  701    HE1  TRP  90           HE1      TRP  90  -4.182   4.804  -6.308
  702    HE3  TRP  90           HE3      TRP  90  -7.313   0.529  -7.014
  703    HZ2  TRP  90           HZ2      TRP  90  -3.267   3.105  -8.372
  704    HZ3  TRP  90           HZ3      TRP  90  -5.851  -0.260  -8.830
  705    HH2  TRP  90           HH2      TRP  90  -3.871   1.004  -9.495
  706    H    LYS  91           HN       LYS  91 -11.147   4.443  -5.592
  707    HA   LYS  91           HA       LYS  91 -12.401   3.927  -3.191
  708   1HB   LYS  91          HB2       LYS  91 -13.621   4.889  -5.776
  709   2HB   LYS  91          HB1       LYS  91 -14.431   4.936  -4.219
  710   1HG   LYS  91          HG2       LYS  91 -12.646   6.413  -3.368
  711   2HG   LYS  91          HG1       LYS  91 -11.924   6.416  -4.981
  712   1HD   LYS  91          HD2       LYS  91 -14.020   7.334  -5.889
  713   2HD   LYS  91          HD1       LYS  91 -14.685   7.387  -4.257
  714   1HE   LYS  91          HE2       LYS  91 -12.939   8.950  -3.585
  715   2HE   LYS  91          HE1       LYS  91 -12.239   8.876  -5.206
  716   1HZ   LYS  91          HZ1       LYS  91 -13.608  10.832  -4.979
  717   2HZ   LYS  91          HZ2       LYS  91 -14.941   9.894  -4.500
  718   3HZ   LYS  91          HZ3       LYS  91 -14.331   9.761  -6.078
  719    HA   PRO  92           HA       PRO  92 -15.246   0.657  -5.617
  720   1HB   PRO  92          HB2       PRO  92 -13.040  -0.411  -7.302
  721   2HB   PRO  92          HB1       PRO  92 -14.769  -0.296  -7.653
  722   1HG   PRO  92          HG2       PRO  92 -13.066   1.400  -8.772
  723   2HG   PRO  92          HG1       PRO  92 -14.641   1.966  -8.184
  724   1HD   PRO  92          HD2       PRO  92 -11.936   2.275  -6.956
  725   2HD   PRO  92          HD1       PRO  92 -13.285   3.426  -7.017
  726    H    LEU  93           HN       LEU  93 -12.011   0.561  -4.468
  727    HA   LEU  93           HA       LEU  93 -12.248  -2.242  -3.633
  728   1HB   LEU  93          HB2       LEU  93  -9.874  -0.415  -3.315
  729   2HB   LEU  93          HB1       LEU  93  -9.897  -2.166  -3.228
  730    HG   LEU  93           HG       LEU  93 -10.474  -0.592  -5.739
  731   1HD1  LEU  93          HD11      LEU  93  -8.168  -0.240  -5.036
  732   2HD1  LEU  93          HD12      LEU  93  -8.229  -1.285  -6.456
  733   3HD1  LEU  93          HD13      LEU  93  -7.937  -1.981  -4.863
  734   1HD2  LEU  93          HD21      LEU  93  -9.968  -3.528  -5.226
  735   2HD2  LEU  93          HD22      LEU  93 -10.113  -2.785  -6.821
  736   3HD2  LEU  93          HD23      LEU  93 -11.493  -2.790  -5.723
  737    H    ILE  94           HN       ILE  94 -11.537   0.973  -2.387
  738    HA   ILE  94           HA       ILE  94 -11.795  -0.010   0.372
  739    HB   ILE  94           HB       ILE  94 -10.571   2.006   1.020
  740   1HG1  ILE  94          HG12      ILE  94 -10.501   2.622  -1.944
  741   2HG1  ILE  94          HG11      ILE  94 -11.438   3.503  -0.740
  742   1HG2  ILE  94          HG21      ILE  94  -9.230   0.585  -1.277
  743   2HG2  ILE  94          HG22      ILE  94  -9.297   0.011   0.390
  744   3HG2  ILE  94          HG23      ILE  94  -8.419   1.490   0.002
  745   1HD1  ILE  94          HD11      ILE  94  -9.388   4.191   0.359
  746   2HD1  ILE  94          HD12      ILE  94  -9.402   4.681  -1.337
  747   3HD1  ILE  94          HD13      ILE  94  -8.444   3.288  -0.824
  748    H    HIS  95           HN       HIS  95 -12.159   2.573   1.496
  749    HA   HIS  95           HA       HIS  95 -14.894   3.218   0.762
  750   1HB   HIS  95          HB2       HIS  95 -13.047   4.342   2.883
  751   2HB   HIS  95          HB1       HIS  95 -14.700   4.896   2.627
  752    HD1  HIS  95           HD1      HIS  95 -16.339   2.425   2.558
  753    HD2  HIS  95           HD2      HIS  95 -13.044   2.802   5.064
  754    HE1  HIS  95           HE1      HIS  95 -16.707   0.777   4.423
  755    HE2  HIS  95           HE2      HIS  95 -14.812   1.191   6.038
  756    H    SER  96           HN       SER  96 -12.349   5.482   1.631
  757    HA   SER  96           HA       SER  96 -11.589   6.434  -0.855
  758   1HB   SER  96          HB2       SER  96 -12.801   8.671  -0.798
  759   2HB   SER  96          HB1       SER  96 -13.796   7.291  -1.272
  760    HG   SER  96           HG       SER  96 -14.200   7.287   1.182
  761    H    GLU  97           HN       GLU  97  -9.671   7.283  -0.320
  762    HA   GLU  97           HA       GLU  97  -8.034   8.439   0.716
  763   1HB   GLU  97          HB2       GLU  97  -9.781  10.243   0.282
  764   2HB   GLU  97          HB1       GLU  97 -10.264  10.074   1.962
  765   1HG   GLU  97          HG2       GLU  97  -7.953  10.676   2.628
  766   2HG   GLU  97          HG1       GLU  97  -7.573  10.957   0.928
  767    H    VAL  98           HN       VAL  98  -8.452   9.733   3.370
  768    HA   VAL  98           HA       VAL  98  -7.769   7.433   4.974
  769    HB   VAL  98           HB       VAL  98  -6.495   9.514   5.094
  770   1HG1  VAL  98          HG11      VAL  98  -8.170  11.138   4.688
  771   2HG1  VAL  98          HG12      VAL  98  -7.471  11.473   6.272
  772   3HG1  VAL  98          HG13      VAL  98  -9.047  10.684   6.148
  773   1HG2  VAL  98          HG21      VAL  98  -6.418   8.071   7.029
  774   2HG2  VAL  98          HG22      VAL  98  -7.868   8.828   7.686
  775   3HG2  VAL  98          HG23      VAL  98  -6.376   9.758   7.537
  776    H    PHE  99           HN       PHE  99 -10.382   7.342   4.113
  777    HA   PHE  99           HA       PHE  99 -12.326   6.467   4.915
  778   1HB   PHE  99          HB2       PHE  99 -11.179   6.993   7.664
  779   2HB   PHE  99          HB1       PHE  99 -12.622   6.047   7.322
  780    HD1  PHE  99           HD1      PHE  99 -12.283   4.017   5.724
  781    HD2  PHE  99           HD2      PHE  99  -9.148   5.932   7.870
  782    HE1  PHE  99           HE1      PHE  99 -10.902   1.994   5.506
  783    HE2  PHE  99           HE2      PHE  99  -7.761   3.913   7.656
  784    HZ   PHE  99           HZ       PHE  99  -8.635   1.942   6.479
  785    H    LYS 100           HN       LYS 100 -11.606   9.481   4.763
  786    HA   LYS 100           HA       LYS 100 -13.325  10.764   6.636
  787   1HB   LYS 100          HB2       LYS 100 -12.895  12.739   4.983
  788   2HB   LYS 100          HB1       LYS 100 -11.576  12.113   5.965
  789   1HG   LYS 100          HG2       LYS 100 -10.681  12.375   3.822
  790   2HG   LYS 100          HG1       LYS 100 -10.985  10.652   3.985
  791   1HD   LYS 100          HD2       LYS 100 -11.772  11.159   1.837
  792   2HD   LYS 100          HD1       LYS 100 -13.218  11.120   2.834
  793   1HE   LYS 100          HE2       LYS 100 -13.014  13.028   1.193
  794   2HE   LYS 100          HE1       LYS 100 -13.418  13.455   2.853
  795   1HZ   LYS 100          HZ1       LYS 100 -11.262  14.266   3.224
  796   2HZ   LYS 100          HZ2       LYS 100 -11.673  14.848   1.683
  797   3HZ   LYS 100          HZ3       LYS 100 -10.631  13.519   1.835
  798    H    SER 101           HN       SER 101 -14.024   9.091   3.794
  799    HA   SER 101           HA       SER 101 -16.690  10.203   3.717
  800   1HB   SER 101          HB2       SER 101 -14.778  10.476   1.394
  801   2HB   SER 101          HB1       SER 101 -16.528  10.661   1.242
  802    HG   SER 101           HG       SER 101 -15.710  12.148   3.296
  803    H    SER 102           HN       SER 102 -17.597   9.248   1.399
  804    HA   SER 102           HA       SER 102 -18.570   7.444   0.469
  805   1HB   SER 102          HB2       SER 102 -16.149   6.914  -0.095
  806   2HB   SER 102          HB1       SER 102 -16.153   5.829   1.294
  807    HG   SER 102           HG       SER 102 -17.023   4.409   0.029
  808    H    ILE 103           HN       ILE 103 -19.038   4.952   1.015
  809    HA   ILE 103           HA       ILE 103 -19.533   4.686   3.891
  810    HB   ILE 103           HB       ILE 103 -21.636   5.473   3.076
  811   1HG1  ILE 103          HG12      ILE 103 -21.739   2.461   3.345
  812   2HG1  ILE 103          HG11      ILE 103 -21.762   3.620   4.670
  813   1HG2  ILE 103          HG21      ILE 103 -21.312   5.101   0.703
  814   2HG2  ILE 103          HG22      ILE 103 -22.852   4.427   1.234
  815   3HG2  ILE 103          HG23      ILE 103 -21.479   3.361   0.935
  816   1HD1  ILE 103          HD11      ILE 103 -23.874   3.354   2.543
  817   2HD1  ILE 103          HD12      ILE 103 -23.900   4.475   3.904
  818   3HD1  ILE 103          HD13      ILE 103 -23.980   2.737   4.192
  Start of MODEL   15
    1   1H    MET   1           HT1      MET   1  14.642  12.191 -12.845
    2   2H    MET   1           HT2      MET   1  14.082  11.052 -13.973
    3   3H    MET   1           HT3      MET   1  14.356  12.654 -14.451
    4    HA   MET   1           HA       MET   1  16.100  11.138 -15.199
    5   1HB   MET   1          HB2       MET   1  16.594  13.514 -14.824
    6   2HB   MET   1          HB1       MET   1  16.957  13.177 -13.137
    7   1HG   MET   1          HG2       MET   1  18.856  11.832 -13.765
    8   2HG   MET   1          HG1       MET   1  18.464  12.023 -15.473
    9   1HE   MET   1          HE1       MET   1  21.760  14.125 -15.090
   10   2HE   MET   1          HE2       MET   1  20.957  12.835 -15.987
   11   3HE   MET   1          HE3       MET   1  21.355  12.608 -14.284
   12    H    ALA   2           HN       ALA   2  16.153  11.598 -11.661
   13    HA   ALA   2           HA       ALA   2  17.756   9.153 -11.404
   14   1HB   ALA   2          HB1       ALA   2  17.046  11.244  -9.343
   15   2HB   ALA   2          HB2       ALA   2  18.568  11.139 -10.230
   16   3HB   ALA   2          HB3       ALA   2  18.119   9.867  -9.095
   17    H    THR   3           HN       THR   3  14.735   9.592 -11.895
   18    HA   THR   3           HA       THR   3  13.463   8.386  -9.630
   19    HB   THR   3           HB       THR   3  12.285   8.545 -12.397
   20    HG1  THR   3           HG1      THR   3  11.589  10.725 -11.633
   21   1HG2  THR   3          HG21      THR   3  10.979   7.424 -10.646
   22   2HG2  THR   3          HG22      THR   3  10.209   8.926 -11.156
   23   3HG2  THR   3          HG23      THR   3  11.097   8.864  -9.634
   24    H    GLU   4           HN       GLU   4  14.780   6.497  -9.432
   25    HA   GLU   4           HA       GLU   4  14.991   4.593 -11.546
   26   1HB   GLU   4          HB2       GLU   4  15.541   4.299  -8.586
   27   2HB   GLU   4          HB1       GLU   4  16.013   3.146  -9.828
   28   1HG   GLU   4          HG2       GLU   4  16.977   5.991  -9.608
   29   2HG   GLU   4          HG1       GLU   4  17.879   4.551  -9.138
   30    HA   PRO   5           HA       PRO   5  11.157   2.463 -10.904
   31   1HB   PRO   5          HB2       PRO   5  12.469   0.087 -12.019
   32   2HB   PRO   5          HB1       PRO   5  11.127   1.034 -12.670
   33   1HG   PRO   5          HG2       PRO   5  13.581   1.057 -13.788
   34   2HG   PRO   5          HG1       PRO   5  12.521   2.478 -13.797
   35   1HD   PRO   5          HD2       PRO   5  14.865   1.875 -12.033
   36   2HD   PRO   5          HD1       PRO   5  14.389   3.410 -12.791
   37    HA   PRO   6           HA       PRO   6  12.362   0.570  -6.981
   38   1HB   PRO   6          HB2       PRO   6   9.423   0.290  -6.775
   39   2HB   PRO   6          HB1       PRO   6  10.562   1.035  -5.651
   40   1HG   PRO   6          HG2       PRO   6   8.925   2.538  -7.120
   41   2HG   PRO   6          HG1       PRO   6  10.599   3.047  -6.817
   42   1HD   PRO   6          HD2       PRO   6   9.418   1.783  -9.264
   43   2HD   PRO   6          HD1       PRO   6  10.580   3.123  -9.138
   44    H    LYS   7           HN       LYS   7  12.350  -1.541  -6.191
   45    HA   LYS   7           HA       LYS   7  11.150  -3.530  -7.990
   46   1HB   LYS   7          HB2       LYS   7  13.752  -3.262  -7.906
   47   2HB   LYS   7          HB1       LYS   7  13.614  -4.100  -6.369
   48   1HG   LYS   7          HG2       LYS   7  14.037  -5.832  -7.821
   49   2HG   LYS   7          HG1       LYS   7  12.275  -5.853  -7.741
   50   1HD   LYS   7          HD2       LYS   7  13.895  -4.495  -9.896
   51   2HD   LYS   7          HD1       LYS   7  13.143  -6.082 -10.048
   52   1HE   LYS   7          HE2       LYS   7  10.948  -5.119  -9.820
   53   2HE   LYS   7          HE1       LYS   7  11.637  -3.533  -9.473
   54   1HZ   LYS   7          HZ1       LYS   7  12.619  -3.580 -11.730
   55   2HZ   LYS   7          HZ2       LYS   7  10.924  -3.580 -11.732
   56   3HZ   LYS   7          HZ3       LYS   7  11.769  -5.014 -12.045
   57    H    ILE   8           HN       ILE   8   9.307  -3.751  -6.778
   58    HA   ILE   8           HA       ILE   8   9.584  -4.045  -3.899
   59    HB   ILE   8           HB       ILE   8   6.997  -4.082  -5.451
   60   1HG1  ILE   8          HG12      ILE   8   8.353  -2.025  -5.970
   61   2HG1  ILE   8          HG11      ILE   8   6.820  -1.693  -5.167
   62   1HG2  ILE   8          HG21      ILE   8   7.688  -3.402  -2.592
   63   2HG2  ILE   8          HG22      ILE   8   6.856  -4.853  -3.158
   64   3HG2  ILE   8          HG23      ILE   8   6.079  -3.278  -3.311
   65   1HD1  ILE   8          HD11      ILE   8   8.027  -1.437  -3.045
   66   2HD1  ILE   8          HD12      ILE   8   8.577  -0.299  -4.273
   67   3HD1  ILE   8          HD13      ILE   8   9.546  -1.724  -3.892
   68    H    VAL   9           HN       VAL   9   9.663  -5.934  -2.939
   69    HA   VAL   9           HA       VAL   9   8.986  -8.338  -4.495
   70    HB   VAL   9           HB       VAL   9  10.732  -8.148  -2.040
   71   1HG1  VAL   9          HG11      VAL   9  10.389 -10.338  -4.085
   72   2HG1  VAL   9          HG12      VAL   9   9.777 -10.358  -2.431
   73   3HG1  VAL   9          HG13      VAL   9  11.516 -10.362  -2.728
   74   1HG2  VAL   9          HG21      VAL   9  11.522  -8.200  -4.943
   75   2HG2  VAL   9          HG22      VAL   9  12.633  -8.316  -3.577
   76   3HG2  VAL   9          HG23      VAL   9  11.698  -6.840  -3.833
   77    H    TRP  10           HN       TRP  10   7.313  -9.513  -3.886
   78    HA   TRP  10           HA       TRP  10   5.802  -8.813  -1.564
   79   1HB   TRP  10          HB2       TRP  10   4.659  -9.513  -3.572
   80   2HB   TRP  10          HB1       TRP  10   5.497 -11.062  -3.562
   81    HD1  TRP  10           HD1      TRP  10   3.946  -9.632  -0.356
   82    HE1  TRP  10           HE1      TRP  10   2.008 -11.157   0.369
   83    HE3  TRP  10           HE3      TRP  10   3.756 -12.702  -4.441
   84    HZ2  TRP  10           HZ2      TRP  10   0.577 -13.365  -0.658
   85    HZ3  TRP  10           HZ3      TRP  10   2.068 -14.491  -4.492
   86    HH2  TRP  10           HH2      TRP  10   0.512 -14.813  -2.640
   87    H    ASN  11           HN       ASN  11   6.481  -9.321   0.365
   88    HA   ASN  11           HA       ASN  11   8.011 -11.737   0.869
   89   1HB   ASN  11          HB2       ASN  11   8.559  -9.516   1.930
   90   2HB   ASN  11          HB1       ASN  11   7.062  -9.656   2.845
   91   1HD2  ASN  11          HD21      ASN  11   9.883  -9.554   3.662
   92   2HD2  ASN  11          HD22      ASN  11  10.123 -10.951   4.660
   93    H    GLU  12           HN       GLU  12   6.396 -13.225   0.333
   94    HA   GLU  12           HA       GLU  12   3.795 -13.336   1.108
   95   1HB   GLU  12          HB2       GLU  12   5.240 -14.808  -0.459
   96   2HB   GLU  12          HB1       GLU  12   5.482 -15.802   0.975
   97   1HG   GLU  12          HG2       GLU  12   3.068 -16.054   1.196
   98   2HG   GLU  12          HG1       GLU  12   2.859 -15.065  -0.251
   99    H    GLY  13           HN       GLY  13   6.633 -14.422   2.949
  100   1HA   GLY  13          HA2       GLY  13   5.193 -15.928   4.866
  101   2HA   GLY  13          HA1       GLY  13   6.833 -15.323   5.050
  102    H    LYS  14           HN       LYS  14   5.636 -12.557   4.488
  103    HA   LYS  14           HA       LYS  14   4.726 -12.091   7.252
  104   1HB   LYS  14          HB2       LYS  14   6.353 -10.410   5.360
  105   2HB   LYS  14          HB1       LYS  14   5.502  -9.680   6.708
  106   1HG   LYS  14          HG2       LYS  14   7.844 -10.077   7.222
  107   2HG   LYS  14          HG1       LYS  14   6.789 -11.019   8.273
  108   1HD   LYS  14          HD2       LYS  14   7.249 -13.022   7.069
  109   2HD   LYS  14          HD1       LYS  14   8.068 -12.130   5.785
  110   1HE   LYS  14          HE2       LYS  14   9.853 -11.542   7.266
  111   2HE   LYS  14          HE1       LYS  14   9.014 -12.253   8.645
  112   1HZ   LYS  14          HZ1       LYS  14  10.736 -13.723   7.820
  113   2HZ   LYS  14          HZ2       LYS  14  10.043 -13.721   6.271
  114   3HZ   LYS  14          HZ3       LYS  14   9.210 -14.421   7.569
  115    H    ARG  15           HN       ARG  15   3.628 -12.281   4.157
  116    HA   ARG  15           HA       ARG  15   1.837 -11.499   2.979
  117   1HB   ARG  15          HB2       ARG  15   0.834 -10.515   5.661
  118   2HB   ARG  15          HB1       ARG  15  -0.128 -10.783   4.218
  119   1HG   ARG  15          HG2       ARG  15  -0.059 -13.085   4.440
  120   2HG   ARG  15          HG1       ARG  15   1.377 -13.037   5.471
  121   1HD   ARG  15          HD2       ARG  15  -1.393 -12.096   6.216
  122   2HD   ARG  15          HD1       ARG  15  -0.595 -13.563   6.792
  123    HE   ARG  15           HE       ARG  15   1.025 -11.322   7.350
  124   1HH1  ARG  15          HH11      ARG  15  -1.953 -12.836   8.404
  125   2HH1  ARG  15          HH12      ARG  15  -1.833 -12.228  10.030
  126   1HH2  ARG  15          HH21      ARG  15   1.198 -10.530   9.482
  127   2HH2  ARG  15          HH22      ARG  15  -0.017 -10.947  10.656
  128    H    ARG  16           HN       ARG  16   3.947  -9.870   2.710
  129    HA   ARG  16           HA       ARG  16   2.775  -7.208   2.733
  130   1HB   ARG  16          HB2       ARG  16   4.384  -6.201   4.115
  131   2HB   ARG  16          HB1       ARG  16   3.934  -7.676   4.946
  132   1HG   ARG  16          HG2       ARG  16   5.959  -8.763   4.154
  133   2HG   ARG  16          HG1       ARG  16   6.419  -7.283   3.303
  134   1HD   ARG  16          HD2       ARG  16   6.319  -6.096   5.504
  135   2HD   ARG  16          HD1       ARG  16   6.089  -7.663   6.273
  136    HE   ARG  16           HE       ARG  16   8.397  -7.727   4.648
  137   1HH1  ARG  16          HH11      ARG  16   7.215  -6.437   7.686
  138   2HH1  ARG  16          HH12      ARG  16   8.804  -6.276   8.376
  139   1HH2  ARG  16          HH21      ARG  16  10.462  -7.556   5.542
  140   2HH2  ARG  16          HH22      ARG  16  10.661  -6.929   7.155
  141    H    PHE  17           HN       PHE  17   4.149  -5.611   1.584
  142    HA   PHE  17           HA       PHE  17   5.865  -6.933  -0.416
  143   1HB   PHE  17          HB2       PHE  17   4.568  -4.212  -0.648
  144   2HB   PHE  17          HB1       PHE  17   5.425  -5.089  -1.910
  145    HD1  PHE  17           HD1      PHE  17   2.288  -4.263  -0.627
  146    HD2  PHE  17           HD2      PHE  17   4.411  -7.462  -2.465
  147    HE1  PHE  17           HE1      PHE  17   0.161  -5.250  -1.365
  148    HE2  PHE  17           HE2      PHE  17   2.286  -8.451  -3.210
  149    HZ   PHE  17           HZ       PHE  17   0.156  -7.344  -2.660
  150    H    GLU  18           HN       GLU  18   7.949  -6.414  -0.505
  151    HA   GLU  18           HA       GLU  18   8.925  -4.253   1.248
  152   1HB   GLU  18          HB2       GLU  18   9.614  -7.025   1.016
  153   2HB   GLU  18          HB1       GLU  18  11.015  -6.046   0.608
  154   1HG   GLU  18          HG2       GLU  18  10.939  -4.962   2.733
  155   2HG   GLU  18          HG1       GLU  18   9.402  -5.738   3.127
  156    H    THR  19           HN       THR  19  10.048  -2.653   0.333
  157    HA   THR  19           HA       THR  19  10.262  -2.554  -2.510
  158    HB   THR  19           HB       THR  19   9.884  -0.566  -1.025
  159    HG1  THR  19           HG1      THR  19  12.137   0.255  -2.354
  160   1HG2  THR  19          HG21      THR  19  11.599  -1.172   0.669
  161   2HG2  THR  19          HG22      THR  19  11.720   0.488   0.088
  162   3HG2  THR  19          HG23      THR  19  12.841  -0.735  -0.500
  163    H    GLU  20           HN       GLU  20  12.511  -1.617  -3.328
  164    HA   GLU  20           HA       GLU  20  14.313  -3.774  -3.393
  165   1HB   GLU  20          HB2       GLU  20  15.819  -1.927  -4.479
  166   2HB   GLU  20          HB1       GLU  20  14.377  -2.500  -5.301
  167   1HG   GLU  20          HG2       GLU  20  14.616  -0.071  -5.433
  168   2HG   GLU  20          HG1       GLU  20  13.140  -0.555  -4.604
  169    H    ASP  21           HN       ASP  21  13.820  -1.540  -1.074
  170    HA   ASP  21           HA       ASP  21  16.579  -1.382  -0.108
  171   1HB   ASP  21          HB2       ASP  21  14.917   0.606  -0.295
  172   2HB   ASP  21          HB1       ASP  21  14.175  -0.078   1.145
  173    H    HIS  22           HN       HIS  22  13.551  -2.885   0.493
  174    HA   HIS  22           HA       HIS  22  12.857  -4.504   1.898
  175   1HB   HIS  22          HB2       HIS  22  15.808  -4.723   2.461
  176   2HB   HIS  22          HB1       HIS  22  14.616  -5.776   3.220
  177    HD1  HIS  22           HD1      HIS  22  13.455  -7.529   1.727
  178    HD2  HIS  22           HD2      HIS  22  16.283  -5.203  -0.251
  179    HE1  HIS  22           HE1      HIS  22  13.895  -8.706  -0.463
  180    HE2  HIS  22           HE2      HIS  22  15.713  -7.355  -1.581
  181    H    GLU  23           HN       GLU  23  14.278  -1.697   3.002
  182    HA   GLU  23           HA       GLU  23  13.528  -2.153   5.781
  183   1HB   GLU  23          HB2       GLU  23  14.728   0.283   4.445
  184   2HB   GLU  23          HB1       GLU  23  14.483   0.079   6.176
  185   1HG   GLU  23          HG2       GLU  23  16.296  -1.562   4.414
  186   2HG   GLU  23          HG1       GLU  23  16.788  -0.329   5.589
  187    H    ALA  24           HN       ALA  24  12.458  -0.640   2.892
  188    HA   ALA  24           HA       ALA  24  10.146   0.501   4.266
  189   1HB   ALA  24          HB1       ALA  24  10.891   0.689   1.351
  190   2HB   ALA  24          HB2       ALA  24  11.309   1.889   2.574
  191   3HB   ALA  24          HB3       ALA  24   9.616   1.585   2.179
  192    H    PHE  25           HN       PHE  25   8.247  -0.500   4.244
  193    HA   PHE  25           HA       PHE  25   7.642  -2.518   2.262
  194   1HB   PHE  25          HB2       PHE  25   7.183  -4.265   3.941
  195   2HB   PHE  25          HB1       PHE  25   8.895  -3.857   3.859
  196    HD1  PHE  25           HD1      PHE  25   5.894  -3.879   5.904
  197    HD2  PHE  25           HD2      PHE  25   9.947  -2.589   5.687
  198    HE1  PHE  25           HE1      PHE  25   5.896  -3.484   8.333
  199    HE2  PHE  25           HE2      PHE  25   9.956  -2.200   8.113
  200    HZ   PHE  25           HZ       PHE  25   7.921  -2.654   9.442
  201    H    ILE  26           HN       ILE  26   5.469  -3.334   2.489
  202    HA   ILE  26           HA       ILE  26   3.778  -1.864   4.363
  203    HB   ILE  26           HB       ILE  26   3.735  -1.379   1.621
  204   1HG1  ILE  26          HG12      ILE  26   1.762  -0.882   3.838
  205   2HG1  ILE  26          HG11      ILE  26   3.039   0.182   3.257
  206   1HG2  ILE  26          HG21      ILE  26   1.520  -2.111   0.872
  207   2HG2  ILE  26          HG22      ILE  26   1.329  -3.052   2.353
  208   3HG2  ILE  26          HG23      ILE  26   2.577  -3.488   1.187
  209   1HD1  ILE  26          HD11      ILE  26   1.843   0.439   1.141
  210   2HD1  ILE  26          HD12      ILE  26   0.874   0.953   2.523
  211   3HD1  ILE  26          HD13      ILE  26   0.557  -0.605   1.756
  212    H    GLU  27           HN       GLU  27   2.432  -3.142   5.466
  213    HA   GLU  27           HA       GLU  27   2.433  -5.990   4.752
  214   1HB   GLU  27          HB2       GLU  27   3.104  -5.400   7.051
  215   2HB   GLU  27          HB1       GLU  27   1.568  -4.581   7.296
  216   1HG   GLU  27          HG2       GLU  27   0.445  -6.784   6.887
  217   2HG   GLU  27          HG1       GLU  27   2.046  -7.523   6.924
  218    H    TYR  28           HN       TYR  28   0.350  -7.162   4.891
  219    HA   TYR  28           HA       TYR  28  -2.043  -5.575   5.092
  220   1HB   TYR  28          HB2       TYR  28  -2.942  -6.032   2.915
  221   2HB   TYR  28          HB1       TYR  28  -1.342  -5.350   2.682
  222    HD1  TYR  28           HD1      TYR  28  -3.359  -8.412   2.449
  223    HD2  TYR  28           HD2      TYR  28   0.443  -6.649   1.719
  224    HE1  TYR  28           HE1      TYR  28  -2.742 -10.335   1.047
  225    HE2  TYR  28           HE2      TYR  28   1.069  -8.562   0.312
  226    HH   TYR  28           HH       TYR  28   0.460 -10.876  -0.027
  227    H    LYS  29           HN       LYS  29  -3.900  -6.830   5.478
  228    HA   LYS  29           HA       LYS  29  -3.551  -9.732   5.444
  229   1HB   LYS  29          HB2       LYS  29  -4.663  -9.957   7.634
  230   2HB   LYS  29          HB1       LYS  29  -3.109  -9.150   7.756
  231   1HG   LYS  29          HG2       LYS  29  -5.352  -7.313   7.439
  232   2HG   LYS  29          HG1       LYS  29  -5.457  -8.315   8.888
  233   1HD   LYS  29          HD2       LYS  29  -3.145  -6.557   8.078
  234   2HD   LYS  29          HD1       LYS  29  -4.287  -6.254   9.387
  235   1HE   LYS  29          HE2       LYS  29  -3.512  -8.322  10.494
  236   2HE   LYS  29          HE1       LYS  29  -2.329  -8.532   9.205
  237   1HZ   LYS  29          HZ1       LYS  29  -1.346  -7.520  11.160
  238   2HZ   LYS  29          HZ2       LYS  29  -2.432  -6.225  11.075
  239   3HZ   LYS  29          HZ3       LYS  29  -1.284  -6.458   9.843
  240    H    MET  30           HN       MET  30  -5.351 -10.846   4.867
  241    HA   MET  30           HA       MET  30  -7.509  -9.246   3.811
  242   1HB   MET  30          HB2       MET  30  -8.390 -11.360   2.926
  243   2HB   MET  30          HB1       MET  30  -6.707 -11.137   2.500
  244   1HG   MET  30          HG2       MET  30  -6.020 -12.691   4.201
  245   2HG   MET  30          HG1       MET  30  -7.684 -12.843   4.760
  246   1HE   MET  30          HE1       MET  30  -6.325 -12.666   1.049
  247   2HE   MET  30          HE2       MET  30  -6.142 -14.383   0.691
  248   3HE   MET  30          HE3       MET  30  -5.122 -13.626   1.914
  249    H    ARG  31           HN       ARG  31  -9.123  -8.620   4.960
  250    HA   ARG  31           HA       ARG  31  -9.862 -10.049   7.422
  251   1HB   ARG  31          HB2       ARG  31 -10.316  -7.213   6.480
  252   2HB   ARG  31          HB1       ARG  31 -11.090  -7.878   7.910
  253   1HG   ARG  31          HG2       ARG  31  -8.985  -8.154   9.005
  254   2HG   ARG  31          HG1       ARG  31  -8.107  -7.756   7.526
  255   1HD   ARG  31          HD2       ARG  31  -8.174  -5.885   9.136
  256   2HD   ARG  31          HD1       ARG  31  -8.925  -5.491   7.592
  257    HE   ARG  31           HE       ARG  31 -10.918  -6.405   9.343
  258   1HH1  ARG  31          HH11      ARG  31  -8.755  -3.674   8.944
  259   2HH1  ARG  31          HH12      ARG  31  -9.827  -2.553   9.734
  260   1HH2  ARG  31          HH21      ARG  31 -12.343  -4.919  10.355
  261   2HH2  ARG  31          HH22      ARG  31 -11.856  -3.257  10.550
  262    H    ASN  32           HN       ASN  32 -12.117 -10.230   7.927
  263    HA   ASN  32           HA       ASN  32 -14.289 -10.758   7.528
  264   1HB   ASN  32          HB2       ASN  32 -14.216  -8.318   6.715
  265   2HB   ASN  32          HB1       ASN  32 -14.161  -8.987   5.088
  266   1HD2  ASN  32          HD21      ASN  32 -16.148  -7.931   4.662
  267   2HD2  ASN  32          HD22      ASN  32 -17.636  -8.619   5.214
  268    H    ASN  33           HN       ASN  33 -13.240 -12.878   6.961
  269    HA   ASN  33           HA       ASN  33 -13.189 -14.786   5.727
  270   1HB   ASN  33          HB2       ASN  33 -15.277 -13.301   4.131
  271   2HB   ASN  33          HB1       ASN  33 -14.793 -14.952   3.762
  272   1HD2  ASN  33          HD21      ASN  33 -17.376 -13.976   4.544
  273   2HD2  ASN  33          HD22      ASN  33 -17.792 -14.803   6.015
  274    H    GLY  34           HN       GLY  34 -11.675 -12.184   4.884
  275   1HA   GLY  34          HA2       GLY  34  -9.809 -11.981   3.508
  276   2HA   GLY  34          HA1       GLY  34 -10.276 -13.474   2.703
  277    H    LYS  35           HN       LYS  35 -12.614 -10.951   3.106
  278    HA   LYS  35           HA       LYS  35 -12.725 -10.627   0.218
  279   1HB   LYS  35          HB2       LYS  35 -14.493  -9.356   2.318
  280   2HB   LYS  35          HB1       LYS  35 -14.796  -9.417   0.589
  281   1HG   LYS  35          HG2       LYS  35 -14.764 -11.745   2.495
  282   2HG   LYS  35          HG1       LYS  35 -16.175 -11.031   1.711
  283   1HD   LYS  35          HD2       LYS  35 -15.450 -11.769  -0.435
  284   2HD   LYS  35          HD1       LYS  35 -13.879 -12.261   0.201
  285   1HE   LYS  35          HE2       LYS  35 -15.023 -13.943   1.606
  286   2HE   LYS  35          HE1       LYS  35 -16.552 -13.490   0.852
  287   1HZ   LYS  35          HZ1       LYS  35 -15.419 -15.487  -0.104
  288   2HZ   LYS  35          HZ2       LYS  35 -14.214 -14.449  -0.697
  289   3HZ   LYS  35          HZ3       LYS  35 -15.817 -14.281  -1.228
  290    H    VAL  36           HN       VAL  36 -11.661  -8.950   3.037
  291    HA   VAL  36           HA       VAL  36 -11.148  -6.534   1.432
  292    HB   VAL  36           HB       VAL  36 -11.783  -6.845   4.370
  293   1HG1  VAL  36          HG11      VAL  36 -11.379  -4.456   4.630
  294   2HG1  VAL  36          HG12      VAL  36 -10.834  -4.349   2.957
  295   3HG1  VAL  36          HG13      VAL  36  -9.902  -5.280   4.130
  296   1HG2  VAL  36          HG21      VAL  36 -13.587  -5.284   3.852
  297   2HG2  VAL  36          HG22      VAL  36 -13.685  -6.725   2.840
  298   3HG2  VAL  36          HG23      VAL  36 -13.058  -5.218   2.171
  299    H    MET  37           HN       MET  37  -9.069  -6.120   1.031
  300    HA   MET  37           HA       MET  37  -7.025  -7.353   2.707
  301   1HB   MET  37          HB2       MET  37  -6.975  -5.947   0.051
  302   2HB   MET  37          HB1       MET  37  -5.492  -6.105   0.990
  303   1HG   MET  37          HG2       MET  37  -5.900  -8.572   1.052
  304   2HG   MET  37          HG1       MET  37  -7.223  -8.315  -0.084
  305   1HE   MET  37          HE1       MET  37  -4.341  -9.958  -2.228
  306   2HE   MET  37          HE2       MET  37  -5.991 -10.143  -1.632
  307   3HE   MET  37          HE3       MET  37  -4.631 -10.252  -0.514
  308    H    ASP  38           HN       ASP  38  -6.483  -6.359   4.474
  309    HA   ASP  38           HA       ASP  38  -6.767  -3.481   4.702
  310   1HB   ASP  38          HB2       ASP  38  -7.428  -5.147   6.514
  311   2HB   ASP  38          HB1       ASP  38  -5.706  -5.395   6.788
  312    H    LEU  39           HN       LEU  39  -5.217  -2.343   3.835
  313    HA   LEU  39           HA       LEU  39  -2.501  -3.257   3.669
  314   1HB   LEU  39          HB2       LEU  39  -3.912  -0.713   2.921
  315   2HB   LEU  39          HB1       LEU  39  -2.163  -0.805   2.897
  316    HG   LEU  39           HG       LEU  39  -2.167  -2.420   1.164
  317   1HD1  LEU  39          HD11      LEU  39  -5.162  -2.568   1.393
  318   2HD1  LEU  39          HD12      LEU  39  -4.032  -3.803   1.947
  319   3HD1  LEU  39          HD13      LEU  39  -4.154  -3.426   0.228
  320   1HD2  LEU  39          HD21      LEU  39  -4.248  -0.318   0.605
  321   2HD2  LEU  39          HD22      LEU  39  -3.396  -1.256  -0.620
  322   3HD2  LEU  39          HD23      LEU  39  -2.503  -0.145   0.420
  323    H    VAL  40           HN       VAL  40  -1.392  -3.385   5.469
  324    HA   VAL  40           HA       VAL  40  -1.937  -1.439   7.600
  325    HB   VAL  40           HB       VAL  40  -0.808  -4.242   7.782
  326   1HG1  VAL  40          HG11      VAL  40   0.109  -2.814   9.518
  327   2HG1  VAL  40          HG12      VAL  40  -1.029  -3.975  10.201
  328   3HG1  VAL  40          HG13      VAL  40  -1.515  -2.296   9.971
  329   1HG2  VAL  40          HG21      VAL  40  -3.211  -4.119   7.224
  330   2HG2  VAL  40          HG22      VAL  40  -3.474  -3.189   8.700
  331   3HG2  VAL  40          HG23      VAL  40  -2.896  -4.855   8.795
  332    H    HIS  41           HN       HIS  41  -0.407   0.099   7.656
  333    HA   HIS  41           HA       HIS  41   1.555   0.941   8.410
  334   1HB   HIS  41          HB2       HIS  41   1.732  -1.292   9.632
  335   2HB   HIS  41          HB1       HIS  41   2.757  -1.819   8.306
  336    HD1  HIS  41           HD1      HIS  41   2.918  -0.320  11.544
  337    HD2  HIS  41           HD2      HIS  41   5.140  -0.007   8.042
  338    HE1  HIS  41           HE1      HIS  41   5.148   0.606  12.240
  339    HE2  HIS  41           HE2      HIS  41   6.556   0.500  10.157
  340    H    THR  42           HN       THR  42   1.903   2.123   6.599
  341    HA   THR  42           HA       THR  42   3.724   1.031   4.593
  342    HB   THR  42           HB       THR  42   1.995   2.451   3.647
  343    HG1  THR  42           HG1      THR  42   3.550   3.097   2.397
  344   1HG2  THR  42          HG21      THR  42   2.954   4.573   5.568
  345   2HG2  THR  42          HG22      THR  42   1.409   3.722   5.646
  346   3HG2  THR  42          HG23      THR  42   1.752   4.806   4.297
  347    H    TYR  43           HN       TYR  43   5.885   1.251   4.863
  348    HA   TYR  43           HA       TYR  43   6.815   3.571   6.367
  349   1HB   TYR  43          HB2       TYR  43   6.626   1.358   7.781
  350   2HB   TYR  43          HB1       TYR  43   8.139   0.962   6.966
  351    HD1  TYR  43           HD1      TYR  43   6.528   3.769   8.788
  352    HD2  TYR  43           HD2      TYR  43  10.126   1.671   7.953
  353    HE1  TYR  43           HE1      TYR  43   7.718   5.218  10.365
  354    HE2  TYR  43           HE2      TYR  43  11.339   3.112   9.535
  355    HH   TYR  43           HH       TYR  43  11.085   5.408  10.496
  356    H    VAL  44           HN       VAL  44   8.950   4.175   5.959
  357    HA   VAL  44           HA       VAL  44  10.485   2.881   3.905
  358    HB   VAL  44           HB       VAL  44   8.770   3.984   2.540
  359   1HG1  VAL  44          HG11      VAL  44   8.126   5.754   4.072
  360   2HG1  VAL  44          HG12      VAL  44   8.557   6.424   2.499
  361   3HG1  VAL  44          HG13      VAL  44   9.689   6.541   3.848
  362   1HG2  VAL  44          HG21      VAL  44  10.224   5.304   1.078
  363   2HG2  VAL  44          HG22      VAL  44  11.022   3.829   1.626
  364   3HG2  VAL  44          HG23      VAL  44  11.438   5.379   2.356
  365    HA   PRO  45           HA       PRO  45  13.640   5.131   6.205
  366   1HB   PRO  45          HB2       PRO  45  15.226   4.808   3.724
  367   2HB   PRO  45          HB1       PRO  45  15.609   4.312   5.374
  368   1HG   PRO  45          HG2       PRO  45  14.931   2.516   3.515
  369   2HG   PRO  45          HG1       PRO  45  14.417   2.338   5.204
  370   1HD   PRO  45          HD2       PRO  45  12.853   3.272   2.830
  371   2HD   PRO  45          HD1       PRO  45  12.345   2.240   4.183
  372    H    SER  46           HN       SER  46  14.708   7.159   6.089
  373    HA   SER  46           HA       SER  46  13.188   9.181   4.918
  374   1HB   SER  46          HB2       SER  46  16.060   9.395   5.836
  375   2HB   SER  46          HB1       SER  46  14.882  10.703   5.721
  376    HG   SER  46           HG       SER  46  15.339   9.293   7.821
  377    H    PHE  47           HN       PHE  47  15.758   7.335   3.598
  378    HA   PHE  47           HA       PHE  47  16.742   9.037   1.622
  379   1HB   PHE  47          HB2       PHE  47  16.409   6.031   1.534
  380   2HB   PHE  47          HB1       PHE  47  17.444   6.977   0.467
  381    HD1  PHE  47           HD1      PHE  47  17.207   5.248   3.572
  382    HD2  PHE  47           HD2      PHE  47  19.326   8.325   1.535
  383    HE1  PHE  47           HE1      PHE  47  19.049   5.044   5.190
  384    HE2  PHE  47           HE2      PHE  47  21.174   8.128   3.149
  385    HZ   PHE  47           HZ       PHE  47  21.037   6.487   4.980
  386    H    LYS  48           HN       LYS  48  13.759   7.199   1.755
  387    HA   LYS  48           HA       LYS  48  13.097   8.191  -0.932
  388   1HB   LYS  48          HB2       LYS  48  12.835   5.350   0.051
  389   2HB   LYS  48          HB1       LYS  48  11.965   5.955  -1.352
  390   1HG   LYS  48          HG2       LYS  48  14.054   6.451  -2.475
  391   2HG   LYS  48          HG1       LYS  48  14.965   5.941  -1.053
  392   1HD   LYS  48          HD2       LYS  48  13.067   4.107  -2.497
  393   2HD   LYS  48          HD1       LYS  48  14.764   4.263  -2.957
  394   1HE   LYS  48          HE2       LYS  48  14.501   3.885  -0.112
  395   2HE   LYS  48          HE1       LYS  48  13.678   2.595  -0.989
  396   1HZ   LYS  48          HZ1       LYS  48  16.470   3.434  -1.566
  397   2HZ   LYS  48          HZ2       LYS  48  15.673   2.041  -2.128
  398   3HZ   LYS  48          HZ3       LYS  48  16.086   2.185  -0.486
  399    H    ARG  49           HN       ARG  49  12.295   8.768   1.986
  400    HA   ARG  49           HA       ARG  49   9.627   7.998   2.380
  401   1HB   ARG  49          HB2       ARG  49  11.234  10.327   3.393
  402   2HB   ARG  49          HB1       ARG  49   9.529  10.166   3.789
  403   1HG   ARG  49          HG2       ARG  49   9.961   8.007   4.824
  404   2HG   ARG  49          HG1       ARG  49  11.669   8.137   4.401
  405   1HD   ARG  49          HD2       ARG  49  11.240   8.740   6.744
  406   2HD   ARG  49          HD1       ARG  49  11.906  10.083   5.817
  407    HE   ARG  49           HE       ARG  49   9.456  10.797   5.646
  408   1HH1  ARG  49          HH11      ARG  49  10.847   9.140   8.401
  409   2HH1  ARG  49          HH12      ARG  49   9.710   9.806   9.539
  410   1HH2  ARG  49          HH21      ARG  49   7.998  11.724   7.135
  411   2HH2  ARG  49          HH22      ARG  49   8.127  11.322   8.825
  412    H    GLY  50           HN       GLY  50  10.773  11.202   1.302
  413   1HA   GLY  50          HA2       GLY  50   8.111  11.872   0.390
  414   2HA   GLY  50          HA1       GLY  50   9.535  12.900   0.319
  415    H    LEU  51           HN       LEU  51  10.039   9.783  -0.943
  416    HA   LEU  51           HA       LEU  51  10.304  10.915  -3.602
  417   1HB   LEU  51          HB2       LEU  51  12.018   9.386  -2.594
  418   2HB   LEU  51          HB1       LEU  51  10.836   8.093  -2.688
  419    HG   LEU  51           HG       LEU  51  10.777   8.352  -5.150
  420   1HD1  LEU  51          HD11      LEU  51  13.044  10.290  -4.690
  421   2HD1  LEU  51          HD12      LEU  51  11.435  10.698  -5.287
  422   3HD1  LEU  51          HD13      LEU  51  12.505   9.683  -6.255
  423   1HD2  LEU  51          HD21      LEU  51  12.220   6.681  -4.131
  424   2HD2  LEU  51          HD22      LEU  51  13.512   7.872  -3.973
  425   3HD2  LEU  51          HD23      LEU  51  12.974   7.360  -5.573
  426    H    GLY  52           HN       GLY  52   8.060   8.996  -1.814
  427   1HA   GLY  52          HA2       GLY  52   5.827   8.824  -2.887
  428   2HA   GLY  52          HA1       GLY  52   6.688   8.357  -4.345
  429    H    LEU  53           HN       LEU  53   8.559   6.781  -2.556
  430    HA   LEU  53           HA       LEU  53   7.640   4.320  -3.377
  431   1HB   LEU  53          HB2       LEU  53   9.978   4.979  -2.731
  432   2HB   LEU  53          HB1       LEU  53   9.502   4.816  -1.054
  433    HG   LEU  53           HG       LEU  53  10.784   2.880  -2.153
  434   1HD1  LEU  53          HD11      LEU  53   9.733   2.707   0.037
  435   2HD1  LEU  53          HD12      LEU  53   9.546   1.208  -0.875
  436   3HD1  LEU  53          HD13      LEU  53   8.190   2.325  -0.726
  437   1HD2  LEU  53          HD21      LEU  53   8.038   2.426  -3.311
  438   2HD2  LEU  53          HD22      LEU  53   9.340   1.236  -3.296
  439   3HD2  LEU  53          HD23      LEU  53   9.526   2.734  -4.208
  440    H    ALA  54           HN       ALA  54   7.242   5.814  -0.170
  441    HA   ALA  54           HA       ALA  54   6.157   3.662   1.199
  442   1HB   ALA  54          HB1       ALA  54   5.365   6.562   1.476
  443   2HB   ALA  54          HB2       ALA  54   6.757   5.800   2.247
  444   3HB   ALA  54          HB3       ALA  54   5.124   5.293   2.677
  445    H    SER  55           HN       SER  55   4.462   6.132  -0.668
  446    HA   SER  55           HA       SER  55   1.899   4.959  -0.479
  447   1HB   SER  55          HB2       SER  55   2.930   6.844  -2.616
  448   2HB   SER  55          HB1       SER  55   1.249   6.585  -2.149
  449    HG   SER  55           HG       SER  55   2.543   7.219   0.053
  450    H    HIS  56           HN       HIS  56   4.580   4.551  -2.738
  451    HA   HIS  56           HA       HIS  56   3.186   3.159  -4.761
  452   1HB   HIS  56          HB2       HIS  56   6.074   3.192  -3.920
  453   2HB   HIS  56          HB1       HIS  56   5.516   2.051  -5.134
  454    HD1  HIS  56           HD1      HIS  56   6.148   2.892  -7.359
  455    HD2  HIS  56           HD2      HIS  56   4.903   5.968  -4.847
  456    HE1  HIS  56           HE1      HIS  56   6.227   4.989  -8.749
  457    HE2  HIS  56           HE2      HIS  56   5.593   6.852  -7.181
  458    H    LEU  57           HN       LEU  57   4.524   2.159  -1.691
  459    HA   LEU  57           HA       LEU  57   4.232  -0.631  -2.009
  460   1HB   LEU  57          HB2       LEU  57   4.036   1.022   0.515
  461   2HB   LEU  57          HB1       LEU  57   4.280  -0.712   0.446
  462    HG   LEU  57           HG       LEU  57   6.230   1.276  -0.712
  463   1HD1  LEU  57          HD11      LEU  57   6.051   1.644   1.677
  464   2HD1  LEU  57          HD12      LEU  57   7.581   0.855   1.290
  465   3HD1  LEU  57          HD13      LEU  57   6.253  -0.082   1.976
  466   1HD2  LEU  57          HD21      LEU  57   6.379  -0.954  -1.663
  467   2HD2  LEU  57          HD22      LEU  57   6.450  -1.658  -0.047
  468   3HD2  LEU  57          HD23      LEU  57   7.767  -0.636  -0.622
  469    H    CYS  58           HN       CYS  58   2.074   1.876  -0.749
  470    HA   CYS  58           HA       CYS  58  -0.121   0.207  -0.178
  471   1HB   CYS  58          HB2       CYS  58   0.056   2.540   0.614
  472   2HB   CYS  58          HB1       CYS  58  -0.139   3.110  -1.047
  473    HG   CYS  58           HG       CYS  58  -2.729   1.429  -0.872
  474    H    VAL  59           HN       VAL  59   0.830   1.918  -3.114
  475    HA   VAL  59           HA       VAL  59  -1.391   1.258  -4.699
  476    HB   VAL  59           HB       VAL  59   1.470   1.806  -5.499
  477   1HG1  VAL  59          HG11      VAL  59   0.318   0.577  -7.274
  478   2HG1  VAL  59          HG12      VAL  59   0.619   2.249  -7.744
  479   3HG1  VAL  59          HG13      VAL  59  -0.997   1.753  -7.236
  480   1HG2  VAL  59          HG21      VAL  59   0.603   4.034  -6.065
  481   2HG2  VAL  59          HG22      VAL  59   0.418   3.658  -4.352
  482   3HG2  VAL  59          HG23      VAL  59  -0.974   3.566  -5.432
  483    H    ALA  60           HN       ALA  60   1.581  -0.496  -3.974
  484    HA   ALA  60           HA       ALA  60   1.373  -2.533  -5.880
  485   1HB   ALA  60          HB1       ALA  60   3.386  -2.168  -4.556
  486   2HB   ALA  60          HB2       ALA  60   2.829  -3.835  -4.411
  487   3HB   ALA  60          HB3       ALA  60   2.533  -2.690  -3.102
  488    H    ALA  61           HN       ALA  61  -0.136  -2.211  -2.690
  489    HA   ALA  61           HA       ALA  61  -1.298  -4.824  -2.786
  490   1HB   ALA  61          HB1       ALA  61  -2.029  -2.438  -1.093
  491   2HB   ALA  61          HB2       ALA  61  -0.892  -3.716  -0.662
  492   3HB   ALA  61          HB3       ALA  61  -2.604  -4.088  -0.855
  493    H    PHE  62           HN       PHE  62  -2.371  -1.551  -3.612
  494    HA   PHE  62           HA       PHE  62  -5.015  -2.139  -4.313
  495   1HB   PHE  62          HB2       PHE  62  -3.086  -0.102  -5.428
  496   2HB   PHE  62          HB1       PHE  62  -4.742  -0.241  -5.998
  497    HD1  PHE  62           HD1      PHE  62  -6.262  -0.641  -3.552
  498    HD2  PHE  62           HD2      PHE  62  -2.920   1.890  -4.282
  499    HE1  PHE  62           HE1      PHE  62  -6.987   0.831  -1.708
  500    HE2  PHE  62           HE2      PHE  62  -3.645   3.376  -2.458
  501    HZ   PHE  62           HZ       PHE  62  -5.739   2.920  -1.259
  502    H    GLU  63           HN       GLU  63  -2.112  -2.083  -6.362
  503    HA   GLU  63           HA       GLU  63  -3.204  -2.908  -8.765
  504   1HB   GLU  63          HB2       GLU  63  -0.502  -3.593  -7.580
  505   2HB   GLU  63          HB1       GLU  63  -0.937  -3.845  -9.264
  506   1HG   GLU  63          HG2       GLU  63  -1.024  -1.151  -7.948
  507   2HG   GLU  63          HG1       GLU  63   0.419  -1.787  -8.735
  508    H    HIS  64           HN       HIS  64  -2.293  -4.793  -5.973
  509    HA   HIS  64           HA       HIS  64  -2.422  -7.329  -7.290
  510   1HB   HIS  64          HB2       HIS  64  -1.074  -6.603  -5.187
  511   2HB   HIS  64          HB1       HIS  64  -2.566  -6.928  -4.316
  512    HD1  HIS  64           HD1      HIS  64   0.429  -8.535  -5.628
  513    HD2  HIS  64           HD2      HIS  64  -3.420  -9.735  -4.580
  514    HE1  HIS  64           HE1      HIS  64   0.548 -11.032  -5.330
  515    HE2  HIS  64           HE2      HIS  64  -1.826 -11.751  -4.902
  516    H    ALA  65           HN       ALA  65  -4.467  -5.687  -4.864
  517    HA   ALA  65           HA       ALA  65  -6.402  -7.779  -4.839
  518   1HB   ALA  65          HB1       ALA  65  -7.689  -6.365  -3.397
  519   2HB   ALA  65          HB2       ALA  65  -6.753  -4.950  -3.876
  520   3HB   ALA  65          HB3       ALA  65  -5.990  -6.235  -2.941
  521    H    SER  66           HN       SER  66  -6.344  -4.529  -6.314
  522    HA   SER  66           HA       SER  66  -8.874  -4.503  -7.411
  523   1HB   SER  66          HB2       SER  66  -7.254  -2.605  -7.444
  524   2HB   SER  66          HB1       SER  66  -6.393  -3.411  -8.754
  525    HG   SER  66           HG       SER  66  -7.771  -2.511 -10.045
  526    H    SER  67           HN       SER  67  -5.932  -5.944  -8.828
  527    HA   SER  67           HA       SER  67  -7.257  -6.658 -11.256
  528   1HB   SER  67          HB2       SER  67  -5.178  -7.966 -11.712
  529   2HB   SER  67          HB1       SER  67  -4.877  -6.277 -11.307
  530    HG   SER  67           HG       SER  67  -3.981  -6.850  -9.455
  531    H    HIS  68           HN       HIS  68  -7.124  -8.074  -8.145
  532    HA   HIS  68           HA       HIS  68  -8.090 -10.626  -9.252
  533   1HB   HIS  68          HB2       HIS  68  -6.139 -10.414  -7.505
  534   2HB   HIS  68          HB1       HIS  68  -7.453 -10.234  -6.348
  535    HD1  HIS  68           HD1      HIS  68  -6.484 -12.668  -9.115
  536    HD2  HIS  68           HD2      HIS  68  -8.286 -12.617  -5.365
  537    HE1  HIS  68           HE1      HIS  68  -6.936 -15.075  -8.548
  538    HE2  HIS  68           HE2      HIS  68  -7.801 -15.032  -6.183
  539    H    SER  69           HN       SER  69  -9.380  -7.841  -8.553
  540    HA   SER  69           HA       SER  69 -11.453  -7.086  -8.045
  541   1HB   SER  69          HB2       SER  69 -12.153 -10.019  -8.283
  542   2HB   SER  69          HB1       SER  69 -13.330  -8.706  -8.213
  543    HG   SER  69           HG       SER  69 -11.284  -8.574 -10.130
  544    H    ILE  70           HN       ILE  70  -9.756  -7.422  -5.884
  545    HA   ILE  70           HA       ILE  70 -11.480  -8.481  -3.743
  546    HB   ILE  70           HB       ILE  70  -8.530  -7.786  -3.617
  547   1HG1  ILE  70          HG12      ILE  70  -9.866 -10.493  -3.859
  548   2HG1  ILE  70          HG11      ILE  70  -8.981  -9.676  -5.143
  549   1HG2  ILE  70          HG21      ILE  70  -8.554  -9.071  -1.521
  550   2HG2  ILE  70          HG22      ILE  70 -10.299  -9.275  -1.674
  551   3HG2  ILE  70          HG23      ILE  70  -9.615  -7.666  -1.442
  552   1HD1  ILE  70          HD11      ILE  70  -7.824 -10.619  -2.531
  553   2HD1  ILE  70          HD12      ILE  70  -6.937  -9.806  -3.820
  554   3HD1  ILE  70          HD13      ILE  70  -7.633 -11.403  -4.100
  555    H    SER  71           HN       SER  71 -11.746  -7.199  -1.799
  556    HA   SER  71           HA       SER  71 -11.828  -4.333  -2.358
  557   1HB   SER  71          HB2       SER  71 -13.835  -5.540  -1.434
  558   2HB   SER  71          HB1       SER  71 -12.915  -5.861   0.034
  559    HG   SER  71           HG       SER  71 -13.133  -3.216  -0.880
  560    H    ILE  72           HN       ILE  72 -11.136  -2.856  -0.483
  561    HA   ILE  72           HA       ILE  72  -8.816  -3.938   0.951
  562    HB   ILE  72           HB       ILE  72  -8.704  -1.656  -1.047
  563   1HG1  ILE  72          HG12      ILE  72  -7.299  -4.320  -0.884
  564   2HG1  ILE  72          HG11      ILE  72  -8.382  -3.751  -2.152
  565   1HG2  ILE  72          HG21      ILE  72  -7.483  -0.944   0.896
  566   2HG2  ILE  72          HG22      ILE  72  -6.353  -1.353  -0.396
  567   3HG2  ILE  72          HG23      ILE  72  -6.601  -2.472   0.947
  568   1HD1  ILE  72          HD11      ILE  72  -5.664  -2.606  -1.548
  569   2HD1  ILE  72          HD12      ILE  72  -6.746  -2.109  -2.850
  570   3HD1  ILE  72          HD13      ILE  72  -6.042  -3.724  -2.855
  571    H    ILE  73           HN       ILE  73  -8.163  -2.746   2.712
  572    HA   ILE  73           HA       ILE  73  -9.450  -0.178   3.316
  573    HB   ILE  73           HB       ILE  73  -9.331  -2.575   5.160
  574   1HG1  ILE  73          HG12      ILE  73 -11.337  -2.331   3.756
  575   2HG1  ILE  73          HG11      ILE  73 -11.711  -2.143   5.468
  576   1HG2  ILE  73          HG21      ILE  73 -10.017  -1.096   7.000
  577   2HG2  ILE  73          HG22      ILE  73  -9.783   0.301   5.948
  578   3HG2  ILE  73          HG23      ILE  73  -8.404  -0.709   6.393
  579   1HD1  ILE  73          HD11      ILE  73 -11.780   0.281   5.185
  580   2HD1  ILE  73          HD12      ILE  73 -12.917  -0.530   4.108
  581   3HD1  ILE  73          HD13      ILE  73 -11.392   0.092   3.475
  582    HA   PRO  74           HA       PRO  74  -5.045   0.156   3.973
  583   1HB   PRO  74          HB2       PRO  74  -5.017   2.880   3.411
  584   2HB   PRO  74          HB1       PRO  74  -4.842   1.579   2.234
  585   1HG   PRO  74          HG2       PRO  74  -7.002   3.414   2.476
  586   2HG   PRO  74          HG1       PRO  74  -6.884   2.033   1.376
  587   1HD   PRO  74          HD2       PRO  74  -8.296   2.271   3.972
  588   2HD   PRO  74          HD1       PRO  74  -8.648   1.220   2.583
  589    H    SER  75           HN       SER  75  -4.807  -0.115   6.195
  590    HA   SER  75           HA       SER  75  -5.238   1.984   8.088
  591   1HB   SER  75          HB2       SER  75  -3.318  -0.366   8.165
  592   2HB   SER  75          HB1       SER  75  -3.739   0.650   9.541
  593    HG   SER  75           HG       SER  75  -5.315  -1.244   8.152
  594    H    CYS  76           HN       CYS  76  -3.001   1.340   5.664
  595    HA   CYS  76           HA       CYS  76  -0.822   2.968   6.362
  596   1HB   CYS  76          HB2       CYS  76  -1.797   2.327   3.569
  597   2HB   CYS  76          HB1       CYS  76  -0.196   2.878   4.040
  598    HG   CYS  76           HG       CYS  76  -1.504  -0.071   5.147
  599    H    SER  77           HN       SER  77  -3.570   4.159   6.691
  600    HA   SER  77           HA       SER  77  -4.457   5.809   4.719
  601   1HB   SER  77          HB2       SER  77  -4.617   6.631   7.599
  602   2HB   SER  77          HB1       SER  77  -5.835   6.777   6.335
  603    HG   SER  77           HG       SER  77  -5.821   4.386   6.338
  604    H    TYR  78           HN       TYR  78  -1.501   6.422   6.433
  605    HA   TYR  78           HA       TYR  78  -1.283   9.189   6.034
  606   1HB   TYR  78          HB2       TYR  78   0.707   8.535   6.942
  607   2HB   TYR  78          HB1       TYR  78   0.591   6.921   6.252
  608    HD1  TYR  78           HD1      TYR  78   1.637  10.409   5.526
  609    HD2  TYR  78           HD2      TYR  78   1.773   6.345   4.281
  610    HE1  TYR  78           HE1      TYR  78   3.361  10.976   3.866
  611    HE2  TYR  78           HE2      TYR  78   3.487   6.893   2.612
  612    HH   TYR  78           HH       TYR  78   5.154   9.871   2.619
  613    H    VAL  79           HN       VAL  79  -0.705   6.468   3.860
  614    HA   VAL  79           HA       VAL  79  -0.271   7.947   1.490
  615    HB   VAL  79           HB       VAL  79  -1.386   5.147   1.798
  616   1HG1  VAL  79          HG11      VAL  79  -1.785   6.053  -0.416
  617   2HG1  VAL  79          HG12      VAL  79  -0.557   4.787  -0.475
  618   3HG1  VAL  79          HG13      VAL  79  -0.080   6.484  -0.565
  619   1HG2  VAL  79          HG21      VAL  79   0.760   5.338   2.905
  620   2HG2  VAL  79          HG22      VAL  79   1.463   6.066   1.458
  621   3HG2  VAL  79          HG23      VAL  79   0.918   4.389   1.426
  622    H    SER  80           HN       SER  80  -3.106   6.394   2.906
  623    HA   SER  80           HA       SER  80  -4.922   6.824   0.851
  624   1HB   SER  80          HB2       SER  80  -5.574   6.918   3.800
  625   2HB   SER  80          HB1       SER  80  -6.634   6.411   2.480
  626    HG   SER  80           HG       SER  80  -5.415   4.597   2.196
  627    H    ASP  81           HN       ASP  81  -4.025   8.919   3.510
  628    HA   ASP  81           HA       ASP  81  -6.055  10.836   3.141
  629   1HB   ASP  81          HB2       ASP  81  -4.977  10.693   5.265
  630   2HB   ASP  81          HB1       ASP  81  -3.386  10.914   4.548
  631    H    THR  82           HN       THR  82  -2.634  10.850   2.155
  632    HA   THR  82           HA       THR  82  -3.088  13.334   0.720
  633    HB   THR  82           HB       THR  82  -1.046  13.229   2.007
  634    HG1  THR  82           HG1      THR  82  -1.191  14.102  -0.358
  635   1HG2  THR  82          HG21      THR  82  -0.633  10.830   1.971
  636   2HG2  THR  82          HG22      THR  82   0.793  11.707   1.412
  637   3HG2  THR  82          HG23      THR  82  -0.263  10.901   0.250
  638    H    PHE  83           HN       PHE  83  -2.056  10.020  -0.058
  639    HA   PHE  83           HA       PHE  83  -1.520  10.645  -2.788
  640   1HB   PHE  83          HB2       PHE  83  -0.548   8.794  -1.235
  641   2HB   PHE  83          HB1       PHE  83  -1.924   7.856  -1.800
  642    HD1  PHE  83           HD1      PHE  83  -1.513   6.447  -3.544
  643    HD2  PHE  83           HD2      PHE  83   0.673  10.090  -3.288
  644    HE1  PHE  83           HE1      PHE  83  -0.296   5.858  -5.601
  645    HE2  PHE  83           HE2      PHE  83   1.896   9.506  -5.341
  646    HZ   PHE  83           HZ       PHE  83   1.412   7.384  -6.499
  647    H    LEU  84           HN       LEU  84  -4.256   9.181  -1.102
  648    HA   LEU  84           HA       LEU  84  -5.420   8.106  -3.456
  649   1HB   LEU  84          HB2       LEU  84  -6.393   8.563  -0.689
  650   2HB   LEU  84          HB1       LEU  84  -7.561   8.201  -1.948
  651    HG   LEU  84           HG       LEU  84  -5.162   6.465  -1.354
  652   1HD1  LEU  84          HD11      LEU  84  -6.658   6.541   0.580
  653   2HD1  LEU  84          HD12      LEU  84  -6.707   4.969  -0.219
  654   3HD1  LEU  84          HD13      LEU  84  -8.018   6.124  -0.460
  655   1HD2  LEU  84          HD21      LEU  84  -7.681   5.952  -2.934
  656   2HD2  LEU  84          HD22      LEU  84  -6.356   4.814  -2.681
  657   3HD2  LEU  84          HD23      LEU  84  -6.091   6.285  -3.618
  658    HA   PRO  85           HA       PRO  85  -7.996  12.277  -3.608
  659   1HB   PRO  85          HB2       PRO  85  -5.825  14.012  -2.563
  660   2HB   PRO  85          HB1       PRO  85  -7.575  14.174  -2.386
  661   1HG   PRO  85          HG2       PRO  85  -6.056  13.361  -0.355
  662   2HG   PRO  85          HG1       PRO  85  -7.671  12.681  -0.629
  663   1HD   PRO  85          HD2       PRO  85  -4.985  11.487  -1.195
  664   2HD   PRO  85          HD1       PRO  85  -6.481  10.707  -0.636
  665    H    ARG  86           HN       ARG  86  -4.513  11.938  -3.776
  666    HA   ARG  86           HA       ARG  86  -4.160  13.558  -6.100
  667   1HB   ARG  86          HB2       ARG  86  -2.341  13.188  -4.530
  668   2HB   ARG  86          HB1       ARG  86  -2.395  11.457  -4.830
  669   1HG   ARG  86          HG2       ARG  86  -1.585  11.751  -7.057
  670   2HG   ARG  86          HG1       ARG  86  -1.724  13.508  -6.929
  671   1HD   ARG  86          HD2       ARG  86  -0.026  13.543  -5.199
  672   2HD   ARG  86          HD1       ARG  86   0.068  11.783  -5.225
  673    HE   ARG  86           HE       ARG  86   0.915  12.004  -7.542
  674   1HH1  ARG  86          HH11      ARG  86   1.094  14.786  -5.409
  675   2HH1  ARG  86          HH12      ARG  86   2.502  15.448  -6.184
  676   1HH2  ARG  86          HH21      ARG  86   2.760  12.890  -8.565
  677   2HH2  ARG  86          HH22      ARG  86   3.456  14.360  -7.963
  678    H    ASN  87           HN       ASN  87  -4.492  10.081  -5.527
  679    HA   ASN  87           HA       ASN  87  -5.134   9.760  -8.385
  680   1HB   ASN  87          HB2       ASN  87  -3.504   7.859  -6.682
  681   2HB   ASN  87          HB1       ASN  87  -4.132   7.465  -8.278
  682   1HD2  ASN  87          HD21      ASN  87  -1.759   9.200  -6.485
  683   2HD2  ASN  87          HD22      ASN  87  -0.791   9.699  -7.832
  684    HA   PRO  88           HA       PRO  88  -8.528   8.159  -5.736
  685   1HB   PRO  88          HB2       PRO  88 -10.433   9.627  -7.262
  686   2HB   PRO  88          HB1       PRO  88  -9.861   9.978  -5.632
  687   1HG   PRO  88          HG2       PRO  88  -9.379  11.535  -7.885
  688   2HG   PRO  88          HG1       PRO  88  -8.484  11.619  -6.360
  689   1HD   PRO  88          HD2       PRO  88  -7.755  10.273  -8.918
  690   2HD   PRO  88          HD1       PRO  88  -6.715  11.079  -7.724
  691    H    SER  89           HN       SER  89  -7.612   6.356  -7.311
  692    HA   SER  89           HA       SER  89  -9.729   5.740  -9.273
  693   1HB   SER  89          HB2       SER  89  -6.856   4.776  -9.281
  694   2HB   SER  89          HB1       SER  89  -8.067   4.473 -10.528
  695    HG   SER  89           HG       SER  89  -7.146   6.204 -11.354
  696    H    TRP  90           HN       TRP  90  -8.580   4.943  -6.287
  697    HA   TRP  90           HA       TRP  90  -9.050   2.059  -6.573
  698   1HB   TRP  90          HB2       TRP  90  -7.836   3.417  -4.180
  699   2HB   TRP  90          HB1       TRP  90  -7.680   1.738  -4.686
  700    HD1  TRP  90           HD1      TRP  90  -5.856   4.922  -4.788
  701    HE1  TRP  90           HE1      TRP  90  -3.896   4.816  -6.443
  702    HE3  TRP  90           HE3      TRP  90  -7.130   0.640  -7.283
  703    HZ2  TRP  90           HZ2      TRP  90  -3.006   3.143  -8.539
  704    HZ3  TRP  90           HZ3      TRP  90  -5.671  -0.141  -9.103
  705    HH2  TRP  90           HH2      TRP  90  -3.652   1.088  -9.718
  706    H    LYS  91           HN       LYS  91 -10.872   4.567  -6.008
  707    HA   LYS  91           HA       LYS  91 -12.191   4.351  -3.617
  708   1HB   LYS  91          HB2       LYS  91 -12.656   6.102  -5.248
  709   2HB   LYS  91          HB1       LYS  91 -13.385   4.927  -6.333
  710   1HG   LYS  91          HG2       LYS  91 -15.097   4.480  -4.566
  711   2HG   LYS  91          HG1       LYS  91 -14.421   5.829  -3.654
  712   1HD   LYS  91          HD2       LYS  91 -15.567   5.994  -6.443
  713   2HD   LYS  91          HD1       LYS  91 -16.388   6.499  -4.965
  714   1HE   LYS  91          HE2       LYS  91 -14.672   8.174  -4.564
  715   2HE   LYS  91          HE1       LYS  91 -13.795   7.645  -6.000
  716   1HZ   LYS  91          HZ1       LYS  91 -16.550   8.759  -6.019
  717   2HZ   LYS  91          HZ2       LYS  91 -15.614   8.361  -7.375
  718   3HZ   LYS  91          HZ3       LYS  91 -15.150   9.645  -6.373
  719    HA   PRO  92           HA       PRO  92 -15.155   0.948  -5.665
  720   1HB   PRO  92          HB2       PRO  92 -13.070  -0.353  -7.336
  721   2HB   PRO  92          HB1       PRO  92 -14.802  -0.171  -7.637
  722   1HG   PRO  92          HG2       PRO  92 -13.062   1.350  -8.928
  723   2HG   PRO  92          HG1       PRO  92 -14.579   2.042  -8.321
  724   1HD   PRO  92          HD2       PRO  92 -11.813   2.271  -7.209
  725   2HD   PRO  92          HD1       PRO  92 -13.093   3.496  -7.310
  726    H    LEU  93           HN       LEU  93 -11.876   0.698  -4.639
  727    HA   LEU  93           HA       LEU  93 -12.191  -2.068  -3.742
  728   1HB   LEU  93          HB2       LEU  93  -9.805  -0.258  -3.403
  729   2HB   LEU  93          HB1       LEU  93  -9.843  -2.008  -3.299
  730    HG   LEU  93           HG       LEU  93 -10.405  -0.474  -5.830
  731   1HD1  LEU  93          HD11      LEU  93  -8.107  -0.084  -5.094
  732   2HD1  LEU  93          HD12      LEU  93  -8.143  -1.127  -6.516
  733   3HD1  LEU  93          HD13      LEU  93  -7.856  -1.820  -4.919
  734   1HD2  LEU  93          HD21      LEU  93 -11.386  -2.707  -5.741
  735   2HD2  LEU  93          HD22      LEU  93  -9.825  -3.392  -5.281
  736   3HD2  LEU  93          HD23      LEU  93 -10.038  -2.669  -6.877
  737    H    ILE  94           HN       ILE  94 -11.754   1.176  -2.521
  738    HA   ILE  94           HA       ILE  94 -11.850   0.170   0.250
  739    HB   ILE  94           HB       ILE  94 -10.399   2.077   0.848
  740   1HG1  ILE  94          HG12      ILE  94 -10.389   2.548  -2.137
  741   2HG1  ILE  94          HG11      ILE  94 -10.978   3.646  -0.892
  742   1HG2  ILE  94          HG21      ILE  94  -8.332   1.242  -0.165
  743   2HG2  ILE  94          HG22      ILE  94  -9.285   0.336  -1.340
  744   3HG2  ILE  94          HG23      ILE  94  -9.378  -0.072   0.373
  745   1HD1  ILE  94          HD11      ILE  94  -8.844   4.387  -1.701
  746   2HD1  ILE  94          HD12      ILE  94  -8.129   2.814  -1.347
  747   3HD1  ILE  94          HD13      ILE  94  -8.688   3.844  -0.029
  748    H    HIS  95           HN       HIS  95 -11.799   2.834   1.305
  749    HA   HIS  95           HA       HIS  95 -14.542   3.656   0.975
  750   1HB   HIS  95          HB2       HIS  95 -12.226   4.739   2.595
  751   2HB   HIS  95          HB1       HIS  95 -13.810   5.511   2.564
  752    HD1  HIS  95           HD1      HIS  95 -12.903   4.667   5.248
  753    HD2  HIS  95           HD2      HIS  95 -14.887   2.047   2.694
  754    HE1  HIS  95           HE1      HIS  95 -13.888   2.890   6.729
  755    HE2  HIS  95           HE2      HIS  95 -14.940   1.229   5.157
  756    H    SER  96           HN       SER  96 -11.845   5.850   1.159
  757    HA   SER  96           HA       SER  96 -11.233   6.623  -1.348
  758   1HB   SER  96          HB2       SER  96 -13.782   7.115  -1.513
  759   2HB   SER  96          HB1       SER  96 -13.437   8.469  -0.431
  760    HG   SER  96           HG       SER  96 -13.324   9.137  -2.598
  761    H    GLU  97           HN       GLU  97  -9.470   7.853  -0.917
  762    HA   GLU  97           HA       GLU  97  -7.937   9.048   0.232
  763   1HB   GLU  97          HB2       GLU  97  -9.688  10.826  -0.100
  764   2HB   GLU  97          HB1       GLU  97 -10.320  10.424   1.491
  765   1HG   GLU  97          HG2       GLU  97  -7.682  10.867   2.026
  766   2HG   GLU  97          HG1       GLU  97  -7.997  12.025   0.732
  767    H    VAL  98           HN       VAL  98  -8.626  10.048   3.044
  768    HA   VAL  98           HA       VAL  98  -8.028   7.531   4.347
  769    HB   VAL  98           HB       VAL  98  -6.646   9.389   5.016
  770   1HG1  VAL  98          HG11      VAL  98  -9.171  10.755   5.920
  771   2HG1  VAL  98          HG12      VAL  98  -8.129  11.246   4.583
  772   3HG1  VAL  98          HG13      VAL  98  -7.532  11.316   6.242
  773   1HG2  VAL  98          HG21      VAL  98  -7.103   7.710   6.703
  774   2HG2  VAL  98          HG22      VAL  98  -8.542   8.592   7.219
  775   3HG2  VAL  98          HG23      VAL  98  -6.943   9.300   7.449
  776    H    PHE  99           HN       PHE  99 -10.611  10.002   4.398
  777    HA   PHE  99           HA       PHE  99 -12.533   8.059   5.167
  778   1HB   PHE  99          HB2       PHE  99 -11.117   8.541   7.301
  779   2HB   PHE  99          HB1       PHE  99 -12.053  10.028   7.380
  780    HD1  PHE  99           HD1      PHE  99 -12.646   6.381   6.856
  781    HD2  PHE  99           HD2      PHE  99 -13.914   9.988   8.721
  782    HE1  PHE  99           HE1      PHE  99 -14.448   5.154   7.999
  783    HE2  PHE  99           HE2      PHE  99 -15.717   8.770   9.866
  784    HZ   PHE  99           HZ       PHE  99 -15.985   6.350   9.507
  785    H    LYS 100           HN       LYS 100 -11.991  10.711   3.519
  786    HA   LYS 100           HA       LYS 100 -14.208  12.330   4.402
  787   1HB   LYS 100          HB2       LYS 100 -13.769  13.694   2.363
  788   2HB   LYS 100          HB1       LYS 100 -12.390  13.527   3.435
  789   1HG   LYS 100          HG2       LYS 100 -11.414  13.269   1.386
  790   2HG   LYS 100          HG1       LYS 100 -11.720  11.593   1.834
  791   1HD   LYS 100          HD2       LYS 100 -13.547  11.427   0.373
  792   2HD   LYS 100          HD1       LYS 100 -13.658  13.181   0.171
  793   1HE   LYS 100          HE2       LYS 100 -11.364  13.062  -0.880
  794   2HE   LYS 100          HE1       LYS 100 -11.548  11.308  -0.884
  795   1HZ   LYS 100          HZ1       LYS 100 -13.561  11.585  -2.228
  796   2HZ   LYS 100          HZ2       LYS 100 -12.193  12.222  -3.001
  797   3HZ   LYS 100          HZ3       LYS 100 -13.308  13.263  -2.263
  798    H    SER 101           HN       SER 101 -14.030   9.509   2.721
  799    HA   SER 101           HA       SER 101 -16.812   9.799   1.922
  800   1HB   SER 101          HB2       SER 101 -14.651   8.812   0.046
  801   2HB   SER 101          HB1       SER 101 -16.386   8.749  -0.281
  802    HG   SER 101           HG       SER 101 -15.856  11.227   0.396
  803    H    SER 102           HN       SER 102 -17.800   8.223   2.982
  804    HA   SER 102           HA       SER 102 -16.992   5.497   2.754
  805   1HB   SER 102          HB2       SER 102 -16.712   5.213   5.282
  806   2HB   SER 102          HB1       SER 102 -15.373   5.973   4.424
  807    HG   SER 102           HG       SER 102 -17.387   7.618   5.482
  808    H    ILE 103           HN       ILE 103 -18.296   4.482   5.009
  809    HA   ILE 103           HA       ILE 103 -21.054   4.991   4.312
  810    HB   ILE 103           HB       ILE 103 -19.905   3.093   6.375
  811   1HG1  ILE 103          HG12      ILE 103 -20.821   2.572   3.536
  812   2HG1  ILE 103          HG11      ILE 103 -19.149   2.582   4.085
  813   1HG2  ILE 103          HG21      ILE 103 -22.661   3.264   5.164
  814   2HG2  ILE 103          HG22      ILE 103 -22.223   3.632   6.832
  815   3HG2  ILE 103          HG23      ILE 103 -22.093   1.980   6.229
  816   1HD1  ILE 103          HD11      ILE 103 -19.622   0.670   5.534
  817   2HD1  ILE 103          HD12      ILE 103 -19.969   0.317   3.842
  818   3HD1  ILE 103          HD13      ILE 103 -21.290   0.656   4.961
  Start of MODEL   16
    1   1H    MET   1           HT1      MET   1   8.493   3.300 -18.971
    2   2H    MET   1           HT2      MET   1   7.937   1.862 -18.265
    3   3H    MET   1           HT3      MET   1   8.309   3.199 -17.287
    4    HA   MET   1           HA       MET   1   6.530   4.464 -18.296
    5   1HB   MET   1          HB2       MET   1   6.041   1.864 -19.754
    6   2HB   MET   1          HB1       MET   1   4.833   3.135 -19.627
    7   1HG   MET   1          HG2       MET   1   6.341   4.678 -20.781
    8   2HG   MET   1          HG1       MET   1   7.542   3.392 -20.916
    9   1HE   MET   1          HE1       MET   1   6.153   3.911 -24.588
   10   2HE   MET   1          HE2       MET   1   7.589   3.964 -23.566
   11   3HE   MET   1          HE3       MET   1   6.311   5.161 -23.354
   12    H    ALA   2           HN       ALA   2   5.773   1.001 -17.838
   13    HA   ALA   2           HA       ALA   2   3.706   1.719 -15.951
   14   1HB   ALA   2          HB1       ALA   2   3.321  -0.050 -17.593
   15   2HB   ALA   2          HB2       ALA   2   3.168  -0.657 -15.945
   16   3HB   ALA   2          HB3       ALA   2   4.624  -0.998 -16.880
   17    H    THR   3           HN       THR   3   6.864   0.155 -15.873
   18    HA   THR   3           HA       THR   3   6.632  -0.201 -12.980
   19    HB   THR   3           HB       THR   3   8.846  -1.116 -14.827
   20    HG1  THR   3           HG1      THR   3   6.365  -2.189 -14.124
   21   1HG2  THR   3          HG21      THR   3   9.467  -2.590 -12.982
   22   2HG2  THR   3          HG22      THR   3   8.160  -1.932 -11.997
   23   3HG2  THR   3          HG23      THR   3   9.516  -0.906 -12.467
   24    H    GLU   4           HN       GLU   4   7.241   1.415 -11.757
   25    HA   GLU   4           HA       GLU   4   8.886   3.552 -12.701
   26   1HB   GLU   4          HB2       GLU   4   7.698   2.891 -10.006
   27   2HB   GLU   4          HB1       GLU   4   8.654   4.338 -10.299
   28   1HG   GLU   4          HG2       GLU   4   6.697   4.238 -12.320
   29   2HG   GLU   4          HG1       GLU   4   5.884   3.875 -10.798
   30    HA   PRO   5           HA       PRO   5  13.067   2.904 -11.300
   31   1HB   PRO   5          HB2       PRO   5  12.412   4.610  -8.926
   32   2HB   PRO   5          HB1       PRO   5  13.848   4.625  -9.960
   33   1HG   PRO   5          HG2       PRO   5  11.931   6.422 -10.314
   34   2HG   PRO   5          HG1       PRO   5  12.743   5.681 -11.705
   35   1HD   PRO   5          HD2       PRO   5  10.006   5.227 -10.651
   36   2HD   PRO   5          HD1       PRO   5  10.618   5.082 -12.309
   37    HA   PRO   6           HA       PRO   6  12.541   1.017  -6.861
   38   1HB   PRO   6          HB2       PRO   6  10.015   0.570  -5.968
   39   2HB   PRO   6          HB1       PRO   6  10.927   2.034  -5.609
   40   1HG   PRO   6          HG2       PRO   6   8.856   1.577  -7.723
   41   2HG   PRO   6          HG1       PRO   6   9.025   2.943  -6.601
   42   1HD   PRO   6          HD2       PRO   6   9.864   3.108  -9.142
   43   2HD   PRO   6          HD1       PRO   6  10.754   3.891  -7.820
   44    H    LYS   7           HN       LYS   7  12.288  -1.153  -6.268
   45    HA   LYS   7           HA       LYS   7  10.909  -2.894  -8.211
   46   1HB   LYS   7          HB2       LYS   7  13.690  -3.049  -7.175
   47   2HB   LYS   7          HB1       LYS   7  12.810  -4.561  -7.326
   48   1HG   LYS   7          HG2       LYS   7  13.057  -4.598  -9.535
   49   2HG   LYS   7          HG1       LYS   7  12.605  -2.897  -9.702
   50   1HD   LYS   7          HD2       LYS   7  15.303  -3.843  -8.744
   51   2HD   LYS   7          HD1       LYS   7  14.942  -3.402 -10.418
   52   1HE   LYS   7          HE2       LYS   7  14.273  -1.526  -8.200
   53   2HE   LYS   7          HE1       LYS   7  15.942  -1.624  -8.793
   54   1HZ   LYS   7          HZ1       LYS   7  14.475   0.094  -9.861
   55   2HZ   LYS   7          HZ2       LYS   7  13.619  -1.175 -10.584
   56   3HZ   LYS   7          HZ3       LYS   7  15.263  -0.950 -10.934
   57    H    ILE   8           HN       ILE   8   9.145  -3.120  -6.953
   58    HA   ILE   8           HA       ILE   8   9.453  -3.736  -4.135
   59    HB   ILE   8           HB       ILE   8   6.830  -3.676  -5.606
   60   1HG1  ILE   8          HG12      ILE   8   8.105  -1.599  -6.129
   61   2HG1  ILE   8          HG11      ILE   8   6.655  -1.295  -5.176
   62   1HG2  ILE   8          HG21      ILE   8   7.640  -3.117  -2.753
   63   2HG2  ILE   8          HG22      ILE   8   6.762  -4.530  -3.348
   64   3HG2  ILE   8          HG23      ILE   8   6.004  -2.938  -3.394
   65   1HD1  ILE   8          HD11      ILE   8   8.003  -1.068  -3.174
   66   2HD1  ILE   8          HD12      ILE   8   8.558   0.042  -4.430
   67   3HD1  ILE   8          HD13      ILE   8   9.460  -1.437  -4.095
   68    H    VAL   9           HN       VAL   9   9.283  -5.697  -3.244
   69    HA   VAL   9           HA       VAL   9   8.593  -7.967  -5.010
   70    HB   VAL   9           HB       VAL   9  10.299  -8.063  -2.520
   71   1HG1  VAL   9          HG11      VAL   9   9.328 -10.197  -3.146
   72   2HG1  VAL   9          HG12      VAL   9  11.069 -10.205  -3.435
   73   3HG1  VAL   9          HG13      VAL   9   9.951 -10.018  -4.788
   74   1HG2  VAL   9          HG21      VAL   9  11.378  -6.612  -4.106
   75   2HG2  VAL   9          HG22      VAL   9  11.172  -7.810  -5.383
   76   3HG2  VAL   9          HG23      VAL   9  12.239  -8.148  -4.018
   77    H    TRP  10           HN       TRP  10   7.292  -9.644  -4.153
   78    HA   TRP  10           HA       TRP  10   5.719  -8.819  -1.840
   79   1HB   TRP  10          HB2       TRP  10   4.423  -9.438  -3.786
   80   2HB   TRP  10          HB1       TRP  10   5.233 -11.001  -3.876
   81    HD1  TRP  10           HD1      TRP  10   4.021  -9.640  -0.514
   82    HE1  TRP  10           HE1      TRP  10   2.126 -11.127   0.368
   83    HE3  TRP  10           HE3      TRP  10   3.323 -12.565  -4.648
   84    HZ2  TRP  10           HZ2      TRP  10   0.520 -13.249  -0.580
   85    HZ3  TRP  10           HZ3      TRP  10   1.576 -14.297  -4.580
   86    HH2  TRP  10           HH2      TRP  10   0.205 -14.631  -2.585
   87    H    ASN  11           HN       ASN  11   6.174  -9.553   0.061
   88    HA   ASN  11           HA       ASN  11   7.647 -12.068   0.364
   89   1HB   ASN  11          HB2       ASN  11   8.458  -9.991   1.533
   90   2HB   ASN  11          HB1       ASN  11   6.970 -10.004   2.468
   91   1HD2  ASN  11          HD21      ASN  11   9.873 -10.359   3.138
   92   2HD2  ASN  11          HD22      ASN  11   9.921 -11.799   4.090
   93    H    GLU  12           HN       GLU  12   6.138 -13.623   0.135
   94    HA   GLU  12           HA       GLU  12   3.454 -13.340   0.993
   95   1HB   GLU  12          HB2       GLU  12   3.322 -15.802   0.386
   96   2HB   GLU  12          HB1       GLU  12   3.786 -14.688  -0.890
   97   1HG   GLU  12          HG2       GLU  12   5.357 -16.237  -1.269
   98   2HG   GLU  12          HG1       GLU  12   6.217 -15.365  -0.005
   99    H    GLY  13           HN       GLY  13   6.291 -14.409   2.615
  100   1HA   GLY  13          HA2       GLY  13   4.922 -16.092   4.507
  101   2HA   GLY  13          HA1       GLY  13   6.592 -15.548   4.605
  102    H    LYS  14           HN       LYS  14   5.666 -12.737   4.231
  103    HA   LYS  14           HA       LYS  14   4.820 -12.278   7.014
  104   1HB   LYS  14          HB2       LYS  14   6.515 -10.659   5.119
  105   2HB   LYS  14          HB1       LYS  14   5.804  -9.943   6.556
  106   1HG   LYS  14          HG2       LYS  14   8.104 -10.564   6.965
  107   2HG   LYS  14          HG1       LYS  14   7.028 -11.550   7.953
  108   1HD   LYS  14          HD2       LYS  14   7.298 -13.423   6.478
  109   2HD   LYS  14          HD1       LYS  14   8.196 -12.441   5.321
  110   1HE   LYS  14          HE2       LYS  14  10.000 -12.173   6.896
  111   2HE   LYS  14          HE1       LYS  14   9.098 -13.044   8.134
  112   1HZ   LYS  14          HZ1       LYS  14  10.081 -14.168   5.562
  113   2HZ   LYS  14          HZ2       LYS  14   9.167 -15.014   6.714
  114   3HZ   LYS  14          HZ3       LYS  14  10.724 -14.476   7.103
  115    H    ARG  15           HN       ARG  15   3.599 -12.357   3.996
  116    HA   ARG  15           HA       ARG  15   1.812 -11.469   2.898
  117   1HB   ARG  15          HB2       ARG  15   0.939 -10.484   5.620
  118   2HB   ARG  15          HB1       ARG  15  -0.082 -10.739   4.214
  119   1HG   ARG  15          HG2       ARG  15   0.334 -13.142   4.345
  120   2HG   ARG  15          HG1       ARG  15   1.357 -12.884   5.762
  121   1HD   ARG  15          HD2       ARG  15  -1.604 -12.413   5.494
  122   2HD   ARG  15          HD1       ARG  15  -0.776 -13.529   6.579
  123    HE   ARG  15           HE       ARG  15  -0.143 -10.726   6.940
  124   1HH1  ARG  15          HH11      ARG  15  -2.143 -13.425   7.953
  125   2HH1  ARG  15          HH12      ARG  15  -2.552 -12.702   9.486
  126   1HH2  ARG  15          HH21      ARG  15  -0.698  -9.779   8.940
  127   2HH2  ARG  15          HH22      ARG  15  -1.753 -10.622  10.036
  128    H    ARG  16           HN       ARG  16   3.997  -9.938   2.638
  129    HA   ARG  16           HA       ARG  16   3.006  -7.186   2.869
  130   1HB   ARG  16          HB2       ARG  16   5.130  -6.413   3.782
  131   2HB   ARG  16          HB1       ARG  16   4.444  -7.639   4.832
  132   1HG   ARG  16          HG2       ARG  16   5.970  -9.244   4.200
  133   2HG   ARG  16          HG1       ARG  16   6.445  -8.354   2.754
  134   1HD   ARG  16          HD2       ARG  16   8.049  -8.354   4.686
  135   2HD   ARG  16          HD1       ARG  16   7.671  -6.787   3.992
  136    HE   ARG  16           HE       ARG  16   5.940  -7.193   6.126
  137   1HH1  ARG  16          HH11      ARG  16   9.381  -6.867   5.548
  138   2HH1  ARG  16          HH12      ARG  16   9.713  -6.209   7.127
  139   1HH2  ARG  16          HH21      ARG  16   6.365  -6.290   8.208
  140   2HH2  ARG  16          HH22      ARG  16   8.011  -5.888   8.635
  141    H    PHE  17           HN       PHE  17   4.173  -5.669   1.537
  142    HA   PHE  17           HA       PHE  17   5.747  -6.917  -0.617
  143   1HB   PHE  17          HB2       PHE  17   4.330  -4.239  -0.672
  144   2HB   PHE  17          HB1       PHE  17   5.248  -4.951  -1.993
  145    HD1  PHE  17           HD1      PHE  17   2.062  -4.365  -0.797
  146    HD2  PHE  17           HD2      PHE  17   4.401  -7.430  -2.602
  147    HE1  PHE  17           HE1      PHE  17   0.010  -5.450  -1.611
  148    HE2  PHE  17           HE2      PHE  17   2.349  -8.520  -3.418
  149    HZ   PHE  17           HZ       PHE  17   0.152  -7.527  -2.925
  150    H    GLU  18           HN       GLU  18   7.833  -6.380  -0.741
  151    HA   GLU  18           HA       GLU  18   8.792  -4.241   1.050
  152   1HB   GLU  18          HB2       GLU  18   9.202  -6.858   1.484
  153   2HB   GLU  18          HB1       GLU  18  10.542  -6.547   0.392
  154   1HG   GLU  18          HG2       GLU  18  11.537  -5.027   1.861
  155   2HG   GLU  18          HG1       GLU  18  10.069  -4.874   2.830
  156    H    THR  19           HN       THR  19   9.987  -2.724   0.148
  157    HA   THR  19           HA       THR  19  10.312  -2.677  -2.677
  158    HB   THR  19           HB       THR  19  10.014  -0.675  -1.114
  159    HG1  THR  19           HG1      THR  19  12.232  -0.106  -2.724
  160   1HG2  THR  19          HG21      THR  19  11.843  -1.319   0.448
  161   2HG2  THR  19          HG22      THR  19  11.957   0.334  -0.152
  162   3HG2  THR  19          HG23      THR  19  13.002  -0.916  -0.820
  163    H    GLU  20           HN       GLU  20  12.548  -2.098  -3.609
  164    HA   GLU  20           HA       GLU  20  14.191  -4.361  -3.439
  165   1HB   GLU  20          HB2       GLU  20  15.642  -3.249  -4.980
  166   2HB   GLU  20          HB1       GLU  20  13.993  -2.789  -5.393
  167   1HG   GLU  20          HG2       GLU  20  15.859  -1.100  -3.739
  168   2HG   GLU  20          HG1       GLU  20  15.628  -0.918  -5.477
  169    H    ASP  21           HN       ASP  21  13.928  -1.861  -1.330
  170    HA   ASP  21           HA       ASP  21  16.745  -1.786  -0.571
  171   1HB   ASP  21          HB2       ASP  21  15.392   0.314  -0.903
  172   2HB   ASP  21          HB1       ASP  21  14.439  -0.152   0.497
  173    H    HIS  22           HN       HIS  22  13.714  -3.060   0.349
  174    HA   HIS  22           HA       HIS  22  13.001  -4.428   1.989
  175   1HB   HIS  22          HB2       HIS  22  15.958  -4.804   2.469
  176   2HB   HIS  22          HB1       HIS  22  14.700  -5.767   3.236
  177    HD1  HIS  22           HD1      HIS  22  13.379  -7.426   1.723
  178    HD2  HIS  22           HD2      HIS  22  16.506  -5.446  -0.180
  179    HE1  HIS  22           HE1      HIS  22  13.770  -8.672  -0.435
  180    HE2  HIS  22           HE2      HIS  22  15.756  -7.536  -1.506
  181    H    GLU  23           HN       GLU  23  14.587  -1.595   2.678
  182    HA   GLU  23           HA       GLU  23  14.040  -1.710   5.534
  183   1HB   GLU  23          HB2       GLU  23  15.088   0.585   3.866
  184   2HB   GLU  23          HB1       GLU  23  15.029   0.518   5.624
  185   1HG   GLU  23          HG2       GLU  23  16.560  -1.450   5.518
  186   2HG   GLU  23          HG1       GLU  23  16.721  -1.156   3.784
  187    H    ALA  24           HN       ALA  24  12.414  -1.154   2.739
  188    HA   ALA  24           HA       ALA  24  10.329   0.375   4.125
  189   1HB   ALA  24          HB1       ALA  24  11.394   1.794   2.433
  190   2HB   ALA  24          HB2       ALA  24   9.722   1.426   2.012
  191   3HB   ALA  24          HB3       ALA  24  11.040   0.582   1.202
  192    H    PHE  25           HN       PHE  25   8.329  -0.496   4.031
  193    HA   PHE  25           HA       PHE  25   7.727  -2.643   2.203
  194   1HB   PHE  25          HB2       PHE  25   7.207  -4.219   4.132
  195   2HB   PHE  25          HB1       PHE  25   8.912  -3.987   3.751
  196    HD1  PHE  25           HD1      PHE  25   6.223  -3.135   6.131
  197    HD2  PHE  25           HD2      PHE  25  10.401  -3.020   5.330
  198    HE1  PHE  25           HE1      PHE  25   6.650  -2.483   8.464
  199    HE2  PHE  25           HE2      PHE  25  10.834  -2.370   7.664
  200    HZ   PHE  25           HZ       PHE  25   8.957  -2.100   9.231
  201    H    ILE  26           HN       ILE  26   5.576  -3.461   2.455
  202    HA   ILE  26           HA       ILE  26   3.771  -1.809   4.074
  203    HB   ILE  26           HB       ILE  26   3.938  -1.650   1.296
  204   1HG1  ILE  26          HG12      ILE  26   2.983  -0.042   2.961
  205   2HG1  ILE  26          HG11      ILE  26   2.051  -0.198   1.472
  206   1HG2  ILE  26          HG21      ILE  26   1.828  -2.523   0.431
  207   2HG2  ILE  26          HG22      ILE  26   1.484  -3.265   1.994
  208   3HG2  ILE  26          HG23      ILE  26   2.853  -3.828   1.034
  209   1HD1  ILE  26          HD11      ILE  26   0.486  -1.677   2.611
  210   2HD1  ILE  26          HD12      ILE  26   0.604  -0.107   3.407
  211   3HD1  ILE  26          HD13      ILE  26   1.416  -1.511   4.101
  212    H    GLU  27           HN       GLU  27   2.330  -3.007   5.234
  213    HA   GLU  27           HA       GLU  27   2.350  -5.910   4.721
  214   1HB   GLU  27          HB2       GLU  27   2.413  -4.302   7.131
  215   2HB   GLU  27          HB1       GLU  27   1.093  -5.461   7.164
  216   1HG   GLU  27          HG2       GLU  27   2.490  -7.287   7.042
  217   2HG   GLU  27          HG1       GLU  27   3.826  -6.347   6.386
  218    H    TYR  28           HN       TYR  28   0.325  -7.058   5.281
  219    HA   TYR  28           HA       TYR  28  -2.096  -5.602   5.522
  220   1HB   TYR  28          HB2       TYR  28  -3.172  -6.213   3.419
  221   2HB   TYR  28          HB1       TYR  28  -1.758  -5.214   3.126
  222    HD1  TYR  28           HD1      TYR  28  -3.125  -8.636   2.874
  223    HD2  TYR  28           HD2      TYR  28   0.083  -6.037   1.855
  224    HE1  TYR  28           HE1      TYR  28  -2.312 -10.286   1.244
  225    HE2  TYR  28           HE2      TYR  28   0.906  -7.682   0.227
  226    HH   TYR  28           HH       TYR  28   0.756  -9.963  -0.331
  227    H    LYS  29           HN       LYS  29  -3.966  -6.922   5.685
  228    HA   LYS  29           HA       LYS  29  -3.557  -9.820   5.668
  229   1HB   LYS  29          HB2       LYS  29  -4.852 -10.097   7.735
  230   2HB   LYS  29          HB1       LYS  29  -3.388  -9.175   8.036
  231   1HG   LYS  29          HG2       LYS  29  -5.864  -7.654   7.456
  232   2HG   LYS  29          HG1       LYS  29  -5.752  -8.474   9.013
  233   1HD   LYS  29          HD2       LYS  29  -3.624  -6.624   7.958
  234   2HD   LYS  29          HD1       LYS  29  -4.956  -6.087   8.983
  235   1HE   LYS  29          HE2       LYS  29  -4.238  -7.702  10.706
  236   2HE   LYS  29          HE1       LYS  29  -2.877  -8.153   9.681
  237   1HZ   LYS  29          HZ1       LYS  29  -2.284  -6.544  11.418
  238   2HZ   LYS  29          HZ2       LYS  29  -3.360  -5.421  10.740
  239   3HZ   LYS  29          HZ3       LYS  29  -2.004  -5.941   9.858
  240    H    MET  30           HN       MET  30  -5.564 -10.983   5.318
  241    HA   MET  30           HA       MET  30  -7.443  -9.299   3.809
  242   1HB   MET  30          HB2       MET  30  -7.203 -12.322   3.833
  243   2HB   MET  30          HB1       MET  30  -8.157 -11.349   2.721
  244   1HG   MET  30          HG2       MET  30  -6.100 -10.354   1.840
  245   2HG   MET  30          HG1       MET  30  -5.155 -11.356   2.937
  246   1HE   MET  30          HE1       MET  30  -7.253 -11.174  -0.321
  247   2HE   MET  30          HE2       MET  30  -8.338 -12.117   0.703
  248   3HE   MET  30          HE3       MET  30  -7.563 -12.871  -0.690
  249    H    ARG  31           HN       ARG  31  -9.083  -8.608   4.923
  250    HA   ARG  31           HA       ARG  31 -10.072 -10.021   7.270
  251   1HB   ARG  31          HB2       ARG  31 -10.858  -7.377   6.029
  252   2HB   ARG  31          HB1       ARG  31 -11.506  -8.008   7.533
  253   1HG   ARG  31          HG2       ARG  31  -9.309  -7.866   8.562
  254   2HG   ARG  31          HG1       ARG  31  -8.622  -7.287   7.039
  255   1HD   ARG  31          HD2       ARG  31 -10.021  -5.321   7.112
  256   2HD   ARG  31          HD1       ARG  31 -10.829  -5.912   8.554
  257    HE   ARG  31           HE       ARG  31  -7.947  -5.409   8.660
  258   1HH1  ARG  31          HH11      ARG  31 -11.202  -4.601   9.678
  259   2HH1  ARG  31          HH12      ARG  31 -10.679  -3.414  10.837
  260   1HH2  ARG  31          HH21      ARG  31  -7.256  -3.881  10.168
  261   2HH2  ARG  31          HH22      ARG  31  -8.420  -3.017  11.135
  262    H    ASN  32           HN       ASN  32 -12.505 -10.085   7.524
  263    HA   ASN  32           HA       ASN  32 -14.529 -10.910   6.911
  264   1HB   ASN  32          HB2       ASN  32 -14.462  -8.675   5.653
  265   2HB   ASN  32          HB1       ASN  32 -14.083  -9.617   4.216
  266   1HD2  ASN  32          HD21      ASN  32 -16.375  -7.942   4.747
  267   2HD2  ASN  32          HD22      ASN  32 -17.769  -8.956   4.602
  268    H    ASN  33           HN       ASN  33 -12.847 -12.838   6.873
  269    HA   ASN  33           HA       ASN  33 -12.513 -14.960   6.142
  270   1HB   ASN  33          HB2       ASN  33 -14.969 -14.818   5.631
  271   2HB   ASN  33          HB1       ASN  33 -14.552 -14.350   3.988
  272   1HD2  ASN  33          HD21      ASN  33 -13.918 -15.902   2.547
  273   2HD2  ASN  33          HD22      ASN  33 -13.921 -17.596   2.904
  274    H    GLY  34           HN       GLY  34 -11.597 -12.306   4.547
  275   1HA   GLY  34          HA2       GLY  34  -9.510 -12.287   3.370
  276   2HA   GLY  34          HA1       GLY  34  -9.919 -13.860   2.699
  277    H    LYS  35           HN       LYS  35 -12.000 -11.008   2.862
  278    HA   LYS  35           HA       LYS  35 -12.000 -10.958  -0.088
  279   1HB   LYS  35          HB2       LYS  35 -14.189 -10.074   1.804
  280   2HB   LYS  35          HB1       LYS  35 -14.265 -10.030   0.047
  281   1HG   LYS  35          HG2       LYS  35 -14.059 -12.489   1.766
  282   2HG   LYS  35          HG1       LYS  35 -15.487 -11.932   0.890
  283   1HD   LYS  35          HD2       LYS  35 -14.295 -12.220  -1.229
  284   2HD   LYS  35          HD1       LYS  35 -12.869 -12.779  -0.352
  285   1HE   LYS  35          HE2       LYS  35 -14.085 -14.679  -1.204
  286   2HE   LYS  35          HE1       LYS  35 -14.199 -14.647   0.556
  287   1HZ   LYS  35          HZ1       LYS  35 -16.333 -15.148  -0.400
  288   2HZ   LYS  35          HZ2       LYS  35 -16.285 -13.754  -1.363
  289   3HZ   LYS  35          HZ3       LYS  35 -16.400 -13.615   0.323
  290    H    VAL  36           HN       VAL  36 -11.240  -9.237   2.730
  291    HA   VAL  36           HA       VAL  36 -10.942  -6.759   1.169
  292    HB   VAL  36           HB       VAL  36 -11.650  -7.026   4.094
  293   1HG1  VAL  36          HG11      VAL  36 -11.084  -4.534   2.485
  294   2HG1  VAL  36          HG12      VAL  36 -10.059  -5.200   3.756
  295   3HG1  VAL  36          HG13      VAL  36 -11.661  -4.578   4.151
  296   1HG2  VAL  36          HG21      VAL  36 -13.677  -5.793   3.447
  297   2HG2  VAL  36          HG22      VAL  36 -13.546  -7.342   2.611
  298   3HG2  VAL  36          HG23      VAL  36 -13.156  -5.845   1.763
  299    H    MET  37           HN       MET  37  -8.899  -6.152   0.929
  300    HA   MET  37           HA       MET  37  -6.867  -7.323   2.654
  301   1HB   MET  37          HB2       MET  37  -6.769  -5.745   0.088
  302   2HB   MET  37          HB1       MET  37  -5.321  -5.991   1.062
  303   1HG   MET  37          HG2       MET  37  -5.574  -8.403   0.851
  304   2HG   MET  37          HG1       MET  37  -7.044  -8.173  -0.094
  305   1HE   MET  37          HE1       MET  37  -3.888  -5.865  -0.356
  306   2HE   MET  37          HE2       MET  37  -2.923  -6.697  -1.576
  307   3HE   MET  37          HE3       MET  37  -3.159  -7.428   0.011
  308    H    ASP  38           HN       ASP  38  -6.497  -6.415   4.466
  309    HA   ASP  38           HA       ASP  38  -6.884  -3.566   4.843
  310   1HB   ASP  38          HB2       ASP  38  -7.682  -5.161   6.533
  311   2HB   ASP  38          HB1       ASP  38  -6.053  -5.795   6.717
  312    H    LEU  39           HN       LEU  39  -5.313  -2.358   4.090
  313    HA   LEU  39           HA       LEU  39  -2.593  -3.314   3.908
  314   1HB   LEU  39          HB2       LEU  39  -4.014  -0.802   3.070
  315   2HB   LEU  39          HB1       LEU  39  -2.262  -0.867   3.076
  316    HG   LEU  39           HG       LEU  39  -2.210  -2.518   1.390
  317   1HD1  LEU  39          HD11      LEU  39  -4.188  -3.557   0.431
  318   2HD1  LEU  39          HD12      LEU  39  -5.198  -2.738   1.625
  319   3HD1  LEU  39          HD13      LEU  39  -4.022  -3.945   2.145
  320   1HD2  LEU  39          HD21      LEU  39  -4.334  -0.488   0.735
  321   2HD2  LEU  39          HD22      LEU  39  -3.407  -1.417  -0.442
  322   3HD2  LEU  39          HD23      LEU  39  -2.590  -0.256   0.605
  323    H    VAL  40           HN       VAL  40  -1.234  -3.182   5.549
  324    HA   VAL  40           HA       VAL  40  -1.861  -1.223   7.654
  325    HB   VAL  40           HB       VAL  40  -0.815  -4.041   8.007
  326   1HG1  VAL  40          HG11      VAL  40  -1.522  -1.930  10.038
  327   2HG1  VAL  40          HG12      VAL  40   0.088  -2.556   9.687
  328   3HG1  VAL  40          HG13      VAL  40  -1.127  -3.608  10.413
  329   1HG2  VAL  40          HG21      VAL  40  -3.499  -2.869   8.714
  330   2HG2  VAL  40          HG22      VAL  40  -2.961  -4.514   9.054
  331   3HG2  VAL  40          HG23      VAL  40  -3.177  -3.983   7.386
  332    H    HIS  41           HN       HIS  41  -0.256   0.180   7.884
  333    HA   HIS  41           HA       HIS  41   1.792   0.933   8.455
  334   1HB   HIS  41          HB2       HIS  41   1.965  -1.228   9.708
  335   2HB   HIS  41          HB1       HIS  41   2.705  -1.945   8.288
  336    HD1  HIS  41           HD1      HIS  41   4.191  -1.968  10.915
  337    HD2  HIS  41           HD2      HIS  41   4.611   1.058   8.100
  338    HE1  HIS  41           HE1      HIS  41   6.430  -0.936  11.370
  339    HE2  HIS  41           HE2      HIS  41   6.537   1.051   9.834
  340    H    THR  42           HN       THR  42   1.933   2.070   6.527
  341    HA   THR  42           HA       THR  42   3.715   0.984   4.496
  342    HB   THR  42           HB       THR  42   2.003   2.598   3.747
  343    HG1  THR  42           HG1      THR  42   3.407   3.309   2.360
  344   1HG2  THR  42          HG21      THR  42   1.757   3.916   5.777
  345   2HG2  THR  42          HG22      THR  42   2.159   4.969   4.422
  346   3HG2  THR  42          HG23      THR  42   3.401   4.534   5.602
  347    H    TYR  43           HN       TYR  43   5.911   1.232   4.580
  348    HA   TYR  43           HA       TYR  43   6.945   3.291   6.371
  349   1HB   TYR  43          HB2       TYR  43   6.809   0.946   7.493
  350   2HB   TYR  43          HB1       TYR  43   8.210   0.578   6.485
  351    HD1  TYR  43           HD1      TYR  43   7.154   3.570   8.497
  352    HD2  TYR  43           HD2      TYR  43  10.147   0.671   7.650
  353    HE1  TYR  43           HE1      TYR  43   8.644   4.629  10.146
  354    HE2  TYR  43           HE2      TYR  43  11.640   1.714   9.281
  355    HH   TYR  43           HH       TYR  43  11.968   3.868  10.363
  356    H    VAL  44           HN       VAL  44   8.778   4.209   5.757
  357    HA   VAL  44           HA       VAL  44  10.425   2.992   3.701
  358    HB   VAL  44           HB       VAL  44   8.708   4.342   2.491
  359   1HG1  VAL  44          HG11      VAL  44   8.328   6.086   4.137
  360   2HG1  VAL  44          HG12      VAL  44   8.786   6.778   2.581
  361   3HG1  VAL  44          HG13      VAL  44   9.965   6.692   3.889
  362   1HG2  VAL  44          HG21      VAL  44  10.282   5.563   1.067
  363   2HG2  VAL  44          HG22      VAL  44  10.870   3.952   1.481
  364   3HG2  VAL  44          HG23      VAL  44  11.530   5.369   2.298
  365    HA   PRO  45           HA       PRO  45  13.362   4.720   6.530
  366   1HB   PRO  45          HB2       PRO  45  15.624   4.392   5.081
  367   2HB   PRO  45          HB1       PRO  45  14.776   3.041   5.845
  368   1HG   PRO  45          HG2       PRO  45  14.683   3.971   3.001
  369   2HG   PRO  45          HG1       PRO  45  14.803   2.319   3.635
  370   1HD   PRO  45          HD2       PRO  45  12.468   3.376   2.768
  371   2HD   PRO  45          HD1       PRO  45  12.549   2.189   4.085
  372    H    SER  46           HN       SER  46  15.190   6.315   6.553
  373    HA   SER  46           HA       SER  46  14.336   8.831   5.737
  374   1HB   SER  46          HB2       SER  46  16.796   9.452   6.262
  375   2HB   SER  46          HB1       SER  46  15.808   8.770   7.554
  376    HG   SER  46           HG       SER  46  16.838   6.844   7.353
  377    H    PHE  47           HN       PHE  47  16.031   6.468   3.944
  378    HA   PHE  47           HA       PHE  47  17.406   8.116   2.112
  379   1HB   PHE  47          HB2       PHE  47  16.331   5.324   1.672
  380   2HB   PHE  47          HB1       PHE  47  17.608   6.108   0.749
  381    HD1  PHE  47           HD1      PHE  47  16.763   4.332   3.801
  382    HD2  PHE  47           HD2      PHE  47  19.809   6.482   1.754
  383    HE1  PHE  47           HE1      PHE  47  18.443   3.427   5.354
  384    HE2  PHE  47           HE2      PHE  47  21.495   5.580   3.299
  385    HZ   PHE  47           HZ       PHE  47  20.789   4.023   5.112
  386    H    LYS  48           HN       LYS  48  14.083   6.980   2.261
  387    HA   LYS  48           HA       LYS  48  13.510   8.409  -0.246
  388   1HB   LYS  48          HB2       LYS  48  12.608   5.602   0.446
  389   2HB   LYS  48          HB1       LYS  48  11.922   6.554  -0.859
  390   1HG   LYS  48          HG2       LYS  48  13.960   6.532  -2.070
  391   2HG   LYS  48          HG1       LYS  48  14.844   5.867  -0.694
  392   1HD   LYS  48          HD2       LYS  48  12.566   4.408  -2.030
  393   2HD   LYS  48          HD1       LYS  48  14.245   4.235  -2.546
  394   1HE   LYS  48          HE2       LYS  48  13.373   3.775   0.297
  395   2HE   LYS  48          HE1       LYS  48  13.362   2.495  -0.914
  396   1HZ   LYS  48          HZ1       LYS  48  15.786   4.083  -0.273
  397   2HZ   LYS  48          HZ2       LYS  48  15.691   2.658  -1.180
  398   3HZ   LYS  48          HZ3       LYS  48  15.414   2.615   0.495
  399    H    ARG  49           HN       ARG  49  13.074   9.100   2.581
  400    HA   ARG  49           HA       ARG  49  10.427   8.692   3.403
  401   1HB   ARG  49          HB2       ARG  49  12.407  10.879   3.981
  402   2HB   ARG  49          HB1       ARG  49  10.785  10.910   4.655
  403   1HG   ARG  49          HG2       ARG  49  12.809   8.727   5.066
  404   2HG   ARG  49          HG1       ARG  49  12.407   9.998   6.224
  405   1HD   ARG  49          HD2       ARG  49  10.617   7.801   5.206
  406   2HD   ARG  49          HD1       ARG  49  11.232   8.010   6.845
  407    HE   ARG  49           HE       ARG  49   9.708  10.265   6.009
  408   1HH1  ARG  49          HH11      ARG  49   9.445   7.005   7.257
  409   2HH1  ARG  49          HH12      ARG  49   7.854   7.251   7.918
  410   1HH2  ARG  49          HH21      ARG  49   7.605  10.564   6.790
  411   2HH2  ARG  49          HH22      ARG  49   6.793   9.273   7.631
  412    H    GLY  50           HN       GLY  50   8.617   9.257   2.437
  413   1HA   GLY  50          HA2       GLY  50   7.021  10.502   1.368
  414   2HA   GLY  50          HA1       GLY  50   7.969  11.921   1.784
  415    H    LEU  51           HN       LEU  51   9.569   9.527  -0.040
  416    HA   LEU  51           HA       LEU  51   9.836  11.247  -2.305
  417   1HB   LEU  51          HB2       LEU  51  11.605   9.707  -1.508
  418   2HB   LEU  51          HB1       LEU  51  10.592   8.345  -1.937
  419    HG   LEU  51           HG       LEU  51  11.375  10.296  -4.068
  420   1HD1  LEU  51          HD11      LEU  51  13.399   8.993  -4.490
  421   2HD1  LEU  51          HD12      LEU  51  13.090   8.034  -3.043
  422   3HD1  LEU  51          HD13      LEU  51  13.459   9.753  -2.899
  423   1HD2  LEU  51          HD21      LEU  51  11.229   8.308  -5.463
  424   2HD2  LEU  51          HD22      LEU  51   9.741   8.521  -4.536
  425   3HD2  LEU  51          HD23      LEU  51  10.926   7.314  -4.038
  426    H    GLY  52           HN       GLY  52   7.709   8.697  -1.368
  427   1HA   GLY  52          HA2       GLY  52   5.625   8.620  -2.789
  428   2HA   GLY  52          HA1       GLY  52   6.742   8.444  -4.140
  429    H    LEU  53           HN       LEU  53   8.537   6.815  -2.460
  430    HA   LEU  53           HA       LEU  53   7.811   4.304  -3.347
  431   1HB   LEU  53          HB2       LEU  53  10.075   5.185  -2.569
  432   2HB   LEU  53          HB1       LEU  53   9.547   4.807  -0.942
  433    HG   LEU  53           HG       LEU  53  11.028   3.110  -2.261
  434   1HD1  LEU  53          HD11      LEU  53   9.989   2.720  -0.051
  435   2HD1  LEU  53          HD12      LEU  53  10.087   1.272  -1.055
  436   3HD1  LEU  53          HD13      LEU  53   8.545   2.122  -0.876
  437   1HD2  LEU  53          HD21      LEU  53   9.733   1.461  -3.501
  438   2HD2  LEU  53          HD22      LEU  53   9.644   3.052  -4.258
  439   3HD2  LEU  53          HD23      LEU  53   8.283   2.449  -3.308
  440    H    ALA  54           HN       ALA  54   7.308   5.737  -0.135
  441    HA   ALA  54           HA       ALA  54   6.242   3.534   1.181
  442   1HB   ALA  54          HB1       ALA  54   5.154   5.148   2.667
  443   2HB   ALA  54          HB2       ALA  54   5.481   6.437   1.507
  444   3HB   ALA  54          HB3       ALA  54   6.818   5.616   2.313
  445    H    SER  55           HN       SER  55   4.545   6.034  -0.665
  446    HA   SER  55           HA       SER  55   1.979   4.932  -0.590
  447   1HB   SER  55          HB2       SER  55   2.418   7.219  -1.375
  448   2HB   SER  55          HB1       SER  55   3.307   6.588  -2.760
  449    HG   SER  55           HG       SER  55   1.453   6.596  -3.730
  450    H    HIS  56           HN       HIS  56   4.648   4.468  -2.901
  451    HA   HIS  56           HA       HIS  56   3.289   2.883  -4.745
  452   1HB   HIS  56          HB2       HIS  56   6.088   3.454  -4.150
  453   2HB   HIS  56          HB1       HIS  56   5.836   1.839  -4.809
  454    HD1  HIS  56           HD1      HIS  56   4.444   1.789  -7.146
  455    HD2  HIS  56           HD2      HIS  56   6.111   5.434  -6.015
  456    HE1  HIS  56           HE1      HIS  56   4.501   3.186  -9.237
  457    HE2  HIS  56           HE2      HIS  56   5.644   5.333  -8.570
  458    H    LEU  57           HN       LEU  57   4.685   2.079  -1.678
  459    HA   LEU  57           HA       LEU  57   4.441  -0.744  -1.916
  460   1HB   LEU  57          HB2       LEU  57   4.407   1.024   0.538
  461   2HB   LEU  57          HB1       LEU  57   4.607  -0.718   0.551
  462    HG   LEU  57           HG       LEU  57   6.535   1.139  -0.835
  463   1HD1  LEU  57          HD11      LEU  57   6.704  -0.024   1.942
  464   2HD1  LEU  57          HD12      LEU  57   6.455   1.677   1.545
  465   3HD1  LEU  57          HD13      LEU  57   7.972   0.884   1.118
  466   1HD2  LEU  57          HD21      LEU  57   8.026  -0.791  -0.722
  467   2HD2  LEU  57          HD22      LEU  57   6.546  -1.187  -1.594
  468   3HD2  LEU  57          HD23      LEU  57   6.761  -1.730   0.070
  469    H    CYS  58           HN       CYS  58   2.404   1.764  -0.435
  470    HA   CYS  58           HA       CYS  58   0.241   0.092   0.239
  471   1HB   CYS  58          HB2       CYS  58   0.493   2.333   1.182
  472   2HB   CYS  58          HB1       CYS  58   0.249   3.065  -0.408
  473    HG   CYS  58           HG       CYS  58  -2.395   1.606  -0.414
  474    H    VAL  59           HN       VAL  59   0.955   1.927  -2.682
  475    HA   VAL  59           HA       VAL  59  -1.462   1.403  -4.041
  476    HB   VAL  59           HB       VAL  59   1.281   2.152  -5.073
  477   1HG1  VAL  59          HG11      VAL  59   0.067   0.987  -6.843
  478   2HG1  VAL  59          HG12      VAL  59   0.193   2.710  -7.195
  479   3HG1  VAL  59          HG13      VAL  59  -1.324   2.041  -6.592
  480   1HG2  VAL  59          HG21      VAL  59   0.279   4.357  -5.367
  481   2HG2  VAL  59          HG22      VAL  59   0.162   3.832  -3.686
  482   3HG2  VAL  59          HG23      VAL  59  -1.252   3.754  -4.737
  483    H    ALA  60           HN       ALA  60   1.551  -0.394  -3.752
  484    HA   ALA  60           HA       ALA  60   1.098  -2.207  -5.867
  485   1HB   ALA  60          HB1       ALA  60   3.286  -1.932  -4.768
  486   2HB   ALA  60          HB2       ALA  60   2.768  -3.617  -4.807
  487   3HB   ALA  60          HB3       ALA  60   2.638  -2.688  -3.312
  488    H    ALA  61           HN       ALA  61  -0.031  -2.141  -2.519
  489    HA   ALA  61           HA       ALA  61  -1.171  -4.753  -2.607
  490   1HB   ALA  61          HB1       ALA  61  -2.357  -4.098  -0.589
  491   2HB   ALA  61          HB2       ALA  61  -1.904  -2.413  -0.848
  492   3HB   ALA  61          HB3       ALA  61  -0.664  -3.617  -0.492
  493    H    PHE  62           HN       PHE  62  -2.286  -1.502  -3.370
  494    HA   PHE  62           HA       PHE  62  -4.944  -2.093  -4.025
  495   1HB   PHE  62          HB2       PHE  62  -3.022  -0.052  -5.147
  496   2HB   PHE  62          HB1       PHE  62  -4.682  -0.182  -5.708
  497    HD1  PHE  62           HD1      PHE  62  -6.180  -0.591  -3.243
  498    HD2  PHE  62           HD2      PHE  62  -2.842   1.939  -4.018
  499    HE1  PHE  62           HE1      PHE  62  -6.880   0.877  -1.378
  500    HE2  PHE  62           HE2      PHE  62  -3.538   3.418  -2.178
  501    HZ   PHE  62           HZ       PHE  62  -5.638   2.978  -0.966
  502    H    GLU  63           HN       GLU  63  -2.027  -2.079  -6.045
  503    HA   GLU  63           HA       GLU  63  -3.140  -2.823  -8.471
  504   1HB   GLU  63          HB2       GLU  63  -0.441  -3.686  -7.408
  505   2HB   GLU  63          HB1       GLU  63  -0.922  -3.623  -9.097
  506   1HG   GLU  63          HG2       GLU  63  -1.239  -1.144  -8.792
  507   2HG   GLU  63          HG1       GLU  63  -0.472  -1.322  -7.216
  508    H    HIS  64           HN       HIS  64  -2.247  -4.799  -5.722
  509    HA   HIS  64           HA       HIS  64  -2.463  -7.299  -7.091
  510   1HB   HIS  64          HB2       HIS  64  -1.066  -6.940  -5.060
  511   2HB   HIS  64          HB1       HIS  64  -2.534  -6.744  -4.118
  512    HD1  HIS  64           HD1      HIS  64  -0.467  -9.327  -5.878
  513    HD2  HIS  64           HD2      HIS  64  -3.860  -9.128  -3.474
  514    HE1  HIS  64           HE1      HIS  64  -0.943 -11.695  -5.174
  515    HE2  HIS  64           HE2      HIS  64  -2.972 -11.555  -3.682
  516    H    ALA  65           HN       ALA  65  -4.526  -5.615  -4.716
  517    HA   ALA  65           HA       ALA  65  -6.537  -7.616  -4.753
  518   1HB   ALA  65          HB1       ALA  65  -6.775  -4.750  -3.867
  519   2HB   ALA  65          HB2       ALA  65  -6.194  -6.082  -2.867
  520   3HB   ALA  65          HB3       ALA  65  -7.861  -6.077  -3.448
  521    H    SER  66           HN       SER  66  -6.374  -4.365  -6.247
  522    HA   SER  66           HA       SER  66  -8.852  -4.417  -7.511
  523   1HB   SER  66          HB2       SER  66  -7.372  -2.428  -7.399
  524   2HB   SER  66          HB1       SER  66  -6.312  -3.174  -8.594
  525    HG   SER  66           HG       SER  66  -8.513  -3.305  -9.794
  526    H    SER  67           HN       SER  67  -5.858  -5.996  -8.425
  527    HA   SER  67           HA       SER  67  -6.610  -6.628 -11.090
  528   1HB   SER  67          HB2       SER  67  -4.262  -6.644 -10.122
  529   2HB   SER  67          HB1       SER  67  -4.678  -8.174  -9.353
  530    HG   SER  67           HG       SER  67  -3.791  -7.793 -11.801
  531    H    HIS  68           HN       HIS  68  -7.161  -8.135  -7.977
  532    HA   HIS  68           HA       HIS  68  -8.434 -10.438  -9.301
  533   1HB   HIS  68          HB2       HIS  68  -6.582 -10.713  -7.521
  534   2HB   HIS  68          HB1       HIS  68  -7.817 -10.241  -6.361
  535    HD1  HIS  68           HD1      HIS  68  -9.631 -11.964  -5.789
  536    HD2  HIS  68           HD2      HIS  68  -6.972 -13.258  -8.707
  537    HE1  HIS  68           HE1      HIS  68 -10.029 -14.431  -6.016
  538    HE2  HIS  68           HE2      HIS  68  -8.528 -15.164  -7.899
  539    H    SER  69           HN       SER  69  -9.430  -7.575  -8.582
  540    HA   SER  69           HA       SER  69 -11.394  -6.580  -8.027
  541   1HB   SER  69          HB2       SER  69 -12.264  -8.360  -9.582
  542   2HB   SER  69          HB1       SER  69 -12.585  -9.364  -8.170
  543    HG   SER  69           HG       SER  69 -13.680  -7.026  -7.663
  544    H    ILE  70           HN       ILE  70  -9.648  -7.497  -5.923
  545    HA   ILE  70           HA       ILE  70 -11.417  -8.346  -3.763
  546    HB   ILE  70           HB       ILE  70  -8.450  -7.732  -3.717
  547   1HG1  ILE  70          HG12      ILE  70  -9.881 -10.396  -3.825
  548   2HG1  ILE  70          HG11      ILE  70  -9.011  -9.651  -5.163
  549   1HG2  ILE  70          HG21      ILE  70  -9.460  -7.506  -1.516
  550   2HG2  ILE  70          HG22      ILE  70  -8.431  -8.937  -1.585
  551   3HG2  ILE  70          HG23      ILE  70 -10.184  -9.106  -1.671
  552   1HD1  ILE  70          HD11      ILE  70  -7.670 -11.371  -4.129
  553   2HD1  ILE  70          HD12      ILE  70  -7.825 -10.583  -2.558
  554   3HD1  ILE  70          HD13      ILE  70  -6.937  -9.790  -3.857
  555    H    SER  71           HN       SER  71 -11.727  -7.064  -1.852
  556    HA   SER  71           HA       SER  71 -11.641  -4.197  -2.403
  557   1HB   SER  71          HB2       SER  71 -12.921  -5.675  -0.086
  558   2HB   SER  71          HB1       SER  71 -13.167  -3.982  -0.517
  559    HG   SER  71           HG       SER  71 -13.694  -6.006  -2.400
  560    H    ILE  72           HN       ILE  72 -11.036  -2.778  -0.439
  561    HA   ILE  72           HA       ILE  72  -8.766  -3.937   1.019
  562    HB   ILE  72           HB       ILE  72  -8.580  -1.633  -0.946
  563   1HG1  ILE  72          HG12      ILE  72  -7.212  -4.307  -0.725
  564   2HG1  ILE  72          HG11      ILE  72  -8.244  -3.727  -2.028
  565   1HG2  ILE  72          HG21      ILE  72  -6.509  -2.450   1.083
  566   2HG2  ILE  72          HG22      ILE  72  -7.413  -0.934   1.055
  567   3HG2  ILE  72          HG23      ILE  72  -6.261  -1.299  -0.232
  568   1HD1  ILE  72          HD11      ILE  72  -6.561  -2.144  -2.706
  569   2HD1  ILE  72          HD12      ILE  72  -5.869  -3.764  -2.632
  570   3HD1  ILE  72          HD13      ILE  72  -5.539  -2.603  -1.346
  571    H    ILE  73           HN       ILE  73  -8.091  -2.747   2.787
  572    HA   ILE  73           HA       ILE  73  -9.471  -0.245   3.446
  573    HB   ILE  73           HB       ILE  73  -9.183  -2.665   5.234
  574   1HG1  ILE  73          HG12      ILE  73 -11.237  -2.491   3.904
  575   2HG1  ILE  73          HG11      ILE  73 -11.574  -2.332   5.625
  576   1HG2  ILE  73          HG21      ILE  73  -9.871  -1.280   7.134
  577   2HG2  ILE  73          HG22      ILE  73  -9.774   0.160   6.118
  578   3HG2  ILE  73          HG23      ILE  73  -8.312  -0.764   6.480
  579   1HD1  ILE  73          HD11      ILE  73 -12.881  -0.756   4.321
  580   2HD1  ILE  73          HD12      ILE  73 -11.402  -0.073   3.643
  581   3HD1  ILE  73          HD13      ILE  73 -11.740   0.092   5.365
  582    HA   PRO  74           HA       PRO  74  -5.062   0.335   3.984
  583   1HB   PRO  74          HB2       PRO  74  -5.286   3.093   3.452
  584   2HB   PRO  74          HB1       PRO  74  -4.872   1.820   2.301
  585   1HG   PRO  74          HG2       PRO  74  -7.209   3.380   2.290
  586   2HG   PRO  74          HG1       PRO  74  -6.920   1.911   1.344
  587   1HD   PRO  74          HD2       PRO  74  -8.426   2.263   3.892
  588   2HD   PRO  74          HD1       PRO  74  -8.709   1.124   2.557
  589    H    SER  75           HN       SER  75  -4.909   0.027   6.222
  590    HA   SER  75           HA       SER  75  -5.486   2.053   8.146
  591   1HB   SER  75          HB2       SER  75  -5.128  -0.331   8.739
  592   2HB   SER  75          HB1       SER  75  -3.446  -0.194   8.238
  593    HG   SER  75           HG       SER  75  -3.028   1.128   9.942
  594    H    CYS  76           HN       CYS  76  -3.039   1.451   5.876
  595    HA   CYS  76           HA       CYS  76  -1.019   3.215   6.633
  596   1HB   CYS  76          HB2       CYS  76  -1.780   2.616   3.775
  597   2HB   CYS  76          HB1       CYS  76  -0.208   3.056   4.419
  598    HG   CYS  76           HG       CYS  76  -0.677   0.233   3.637
  599    H    SER  77           HN       SER  77  -3.806   4.330   6.864
  600    HA   SER  77           HA       SER  77  -4.701   5.911   4.835
  601   1HB   SER  77          HB2       SER  77  -4.906   6.598   7.768
  602   2HB   SER  77          HB1       SER  77  -6.022   7.064   6.486
  603    HG   SER  77           HG       SER  77  -5.998   4.524   6.263
  604    H    TYR  78           HN       TYR  78  -1.806   6.642   6.608
  605    HA   TYR  78           HA       TYR  78  -1.603   9.386   6.070
  606   1HB   TYR  78          HB2       TYR  78   0.361   8.803   7.056
  607   2HB   TYR  78          HB1       TYR  78   0.266   7.148   6.470
  608    HD1  TYR  78           HD1      TYR  78   1.294  10.580   5.565
  609    HD2  TYR  78           HD2      TYR  78   1.557   6.448   4.587
  610    HE1  TYR  78           HE1      TYR  78   3.096  11.092   3.975
  611    HE2  TYR  78           HE2      TYR  78   3.355   6.940   2.984
  612    HH   TYR  78           HH       TYR  78   4.210   8.778   1.689
  613    H    VAL  79           HN       VAL  79  -0.916   6.575   4.033
  614    HA   VAL  79           HA       VAL  79  -0.488   7.893   1.592
  615    HB   VAL  79           HB       VAL  79  -1.662   5.150   2.120
  616   1HG1  VAL  79          HG11      VAL  79  -0.991   4.603  -0.175
  617   2HG1  VAL  79          HG12      VAL  79  -0.500   6.278  -0.427
  618   3HG1  VAL  79          HG13      VAL  79  -2.196   5.889  -0.135
  619   1HG2  VAL  79          HG21      VAL  79   0.566   5.404   3.065
  620   2HG2  VAL  79          HG22      VAL  79   1.174   5.977   1.512
  621   3HG2  VAL  79          HG23      VAL  79   0.597   4.317   1.675
  622    H    SER  80           HN       SER  80  -3.380   6.571   3.105
  623    HA   SER  80           HA       SER  80  -5.172   6.883   1.013
  624   1HB   SER  80          HB2       SER  80  -5.780   7.205   3.956
  625   2HB   SER  80          HB1       SER  80  -6.930   6.789   2.685
  626    HG   SER  80           HG       SER  80  -6.410   4.846   3.364
  627    H    ASP  81           HN       ASP  81  -4.288   9.198   3.517
  628    HA   ASP  81           HA       ASP  81  -6.381  11.016   2.899
  629   1HB   ASP  81          HB2       ASP  81  -5.390  10.955   5.122
  630   2HB   ASP  81          HB1       ASP  81  -3.814  11.398   4.477
  631    H    THR  82           HN       THR  82  -2.875  11.016   2.140
  632    HA   THR  82           HA       THR  82  -3.279  13.399   0.525
  633    HB   THR  82           HB       THR  82  -1.276  13.461   1.810
  634    HG1  THR  82           HG1      THR  82  -1.299  14.069  -0.584
  635   1HG2  THR  82          HG21      THR  82  -0.462  10.894   0.448
  636   2HG2  THR  82          HG22      THR  82  -0.906  11.076   2.145
  637   3HG2  THR  82          HG23      THR  82   0.553  11.853   1.528
  638    H    PHE  83           HN       PHE  83  -2.182  10.051  -0.044
  639    HA   PHE  83           HA       PHE  83  -1.649  10.561  -2.798
  640   1HB   PHE  83          HB2       PHE  83  -1.807   7.960  -1.279
  641   2HB   PHE  83          HB1       PHE  83  -1.206   8.146  -2.922
  642    HD1  PHE  83           HD1      PHE  83  -0.055   7.559   0.157
  643    HD2  PHE  83           HD2      PHE  83   0.467  10.455  -2.919
  644    HE1  PHE  83           HE1      PHE  83   2.194   8.058   1.019
  645    HE2  PHE  83           HE2      PHE  83   2.727  10.945  -2.070
  646    HZ   PHE  83           HZ       PHE  83   3.553   9.864  -0.069
  647    H    LEU  84           HN       LEU  84  -4.343   9.028  -1.105
  648    HA   LEU  84           HA       LEU  84  -5.458   7.851  -3.409
  649   1HB   LEU  84          HB2       LEU  84  -6.506   8.516  -0.706
  650   2HB   LEU  84          HB1       LEU  84  -7.610   7.982  -1.958
  651    HG   LEU  84           HG       LEU  84  -5.181   6.433  -1.052
  652   1HD1  LEU  84          HD11      LEU  84  -6.828   6.550   0.728
  653   2HD1  LEU  84          HD12      LEU  84  -6.790   4.934   0.022
  654   3HD1  LEU  84          HD13      LEU  84  -8.093   6.048  -0.393
  655   1HD2  LEU  84          HD21      LEU  84  -6.157   4.615  -2.331
  656   2HD2  LEU  84          HD22      LEU  84  -5.866   6.011  -3.368
  657   3HD2  LEU  84          HD23      LEU  84  -7.501   5.651  -2.810
  658    HA   PRO  85           HA       PRO  85  -8.046  11.933  -3.922
  659   1HB   PRO  85          HB2       PRO  85  -6.151  13.882  -2.781
  660   2HB   PRO  85          HB1       PRO  85  -7.912  13.825  -2.656
  661   1HG   PRO  85          HG2       PRO  85  -6.324  13.234  -0.581
  662   2HG   PRO  85          HG1       PRO  85  -7.870  12.410  -0.845
  663   1HD   PRO  85          HD2       PRO  85  -5.085  11.442  -1.372
  664   2HD   PRO  85          HD1       PRO  85  -6.505  10.554  -0.775
  665    H    ARG  86           HN       ARG  86  -4.574  11.687  -3.834
  666    HA   ARG  86           HA       ARG  86  -4.054  13.421  -6.040
  667   1HB   ARG  86          HB2       ARG  86  -2.397  12.930  -4.294
  668   2HB   ARG  86          HB1       ARG  86  -2.356  11.247  -4.799
  669   1HG   ARG  86          HG2       ARG  86  -1.406  11.869  -6.927
  670   2HG   ARG  86          HG1       ARG  86  -1.543  13.582  -6.518
  671   1HD   ARG  86          HD2       ARG  86   0.015  13.308  -4.691
  672   2HD   ARG  86          HD1       ARG  86   0.080  11.567  -4.970
  673    HE   ARG  86           HE       ARG  86   0.825  12.965  -7.316
  674   1HH1  ARG  86          HH11      ARG  86   2.018  12.284  -4.094
  675   2HH1  ARG  86          HH12      ARG  86   3.681  12.226  -4.590
  676   1HH2  ARG  86          HH21      ARG  86   2.989  12.927  -7.971
  677   2HH2  ARG  86          HH22      ARG  86   4.248  12.589  -6.814
  678    H    ASN  87           HN       ASN  87  -4.583   9.957  -5.664
  679    HA   ASN  87           HA       ASN  87  -5.228   9.828  -8.496
  680   1HB   ASN  87          HB2       ASN  87  -3.979   7.652  -8.759
  681   2HB   ASN  87          HB1       ASN  87  -2.968   9.081  -8.634
  682   1HD2  ASN  87          HD21      ASN  87  -1.744   9.399  -6.755
  683   2HD2  ASN  87          HD22      ASN  87  -1.409   8.108  -5.659
  684    HA   PRO  88           HA       PRO  88  -8.331   7.780  -5.846
  685   1HB   PRO  88          HB2       PRO  88 -10.307   8.949  -7.610
  686   2HB   PRO  88          HB1       PRO  88  -9.990   9.315  -5.913
  687   1HG   PRO  88          HG2       PRO  88  -9.496  11.064  -7.942
  688   2HG   PRO  88          HG1       PRO  88  -8.594  11.053  -6.417
  689   1HD   PRO  88          HD2       PRO  88  -7.836   9.891  -9.075
  690   2HD   PRO  88          HD1       PRO  88  -6.840  10.802  -7.918
  691    H    SER  89           HN       SER  89  -7.039   6.165  -7.644
  692    HA   SER  89           HA       SER  89  -9.017   5.249  -9.599
  693   1HB   SER  89          HB2       SER  89  -6.169   4.329  -9.133
  694   2HB   SER  89          HB1       SER  89  -7.201   3.864 -10.485
  695    HG   SER  89           HG       SER  89  -6.008   5.513 -11.259
  696    H    TRP  90           HN       TRP  90  -8.369   4.703  -6.441
  697    HA   TRP  90           HA       TRP  90  -8.770   1.792  -6.598
  698   1HB   TRP  90          HB2       TRP  90  -7.670   3.172  -4.178
  699   2HB   TRP  90          HB1       TRP  90  -7.380   1.530  -4.753
  700    HD1  TRP  90           HD1      TRP  90  -5.858   4.892  -4.704
  701    HE1  TRP  90           HE1      TRP  90  -3.810   5.003  -6.249
  702    HE3  TRP  90           HE3      TRP  90  -6.549   0.514  -7.252
  703    HZ2  TRP  90           HZ2      TRP  90  -2.636   3.427  -8.293
  704    HZ3  TRP  90           HZ3      TRP  90  -4.920  -0.111  -8.989
  705    HH2  TRP  90           HH2      TRP  90  -3.005   1.318  -9.498
  706    H    LYS  91           HN       LYS  91 -10.619   4.305  -6.287
  707    HA   LYS  91           HA       LYS  91 -11.909   4.185  -3.826
  708   1HB   LYS  91          HB2       LYS  91 -12.301   5.984  -5.450
  709   2HB   LYS  91          HB1       LYS  91 -13.137   4.855  -6.508
  710   1HG   LYS  91          HG2       LYS  91 -14.834   4.501  -4.773
  711   2HG   LYS  91          HG1       LYS  91 -14.006   5.664  -3.741
  712   1HD   LYS  91          HD2       LYS  91 -15.132   6.303  -6.463
  713   2HD   LYS  91          HD1       LYS  91 -15.978   6.587  -4.944
  714   1HE   LYS  91          HE2       LYS  91 -14.103   8.065  -4.234
  715   2HE   LYS  91          HE1       LYS  91 -13.380   7.842  -5.830
  716   1HZ   LYS  91          HZ1       LYS  91 -16.030   9.054  -5.265
  717   2HZ   LYS  91          HZ2       LYS  91 -15.394   8.790  -6.813
  718   3HZ   LYS  91          HZ3       LYS  91 -14.635   9.884  -5.761
  719    HA   PRO  92           HA       PRO  92 -14.909   0.839  -5.867
  720   1HB   PRO  92          HB2       PRO  92 -13.497  -0.920  -7.455
  721   2HB   PRO  92          HB1       PRO  92 -14.547   0.368  -8.053
  722   1HG   PRO  92          HG2       PRO  92 -11.575   0.346  -7.711
  723   2HG   PRO  92          HG1       PRO  92 -12.547   1.001  -9.045
  724   1HD   PRO  92          HD2       PRO  92 -11.518   2.614  -7.195
  725   2HD   PRO  92          HD1       PRO  92 -13.148   2.897  -7.838
  726    H    LEU  93           HN       LEU  93 -11.761   0.618  -4.592
  727    HA   LEU  93           HA       LEU  93 -12.147  -2.158  -3.707
  728   1HB   LEU  93          HB2       LEU  93  -9.705  -0.448  -3.305
  729   2HB   LEU  93          HB1       LEU  93  -9.823  -2.197  -3.224
  730    HG   LEU  93           HG       LEU  93 -10.218  -0.608  -5.751
  731   1HD1  LEU  93          HD11      LEU  93  -7.936  -0.330  -4.887
  732   2HD1  LEU  93          HD12      LEU  93  -7.961  -1.302  -6.359
  733   3HD1  LEU  93          HD13      LEU  93  -7.764  -2.083  -4.789
  734   1HD2  LEU  93          HD21      LEU  93 -11.297  -2.779  -5.775
  735   2HD2  LEU  93          HD22      LEU  93  -9.808  -3.551  -5.230
  736   3HD2  LEU  93          HD23      LEU  93  -9.879  -2.798  -6.824
  737    H    ILE  94           HN       ILE  94 -11.825   1.113  -2.568
  738    HA   ILE  94           HA       ILE  94 -11.980   0.207   0.236
  739    HB   ILE  94           HB       ILE  94 -10.475   2.064   0.828
  740   1HG1  ILE  94          HG12      ILE  94 -10.323   2.462  -2.169
  741   2HG1  ILE  94          HG11      ILE  94 -10.994   3.592  -0.996
  742   1HG2  ILE  94          HG21      ILE  94  -9.507  -0.132   0.400
  743   2HG2  ILE  94          HG22      ILE  94  -8.405   1.150  -0.095
  744   3HG2  ILE  94          HG23      ILE  94  -9.334   0.268  -1.308
  745   1HD1  ILE  94          HD11      ILE  94  -8.120   2.754  -1.221
  746   2HD1  ILE  94          HD12      ILE  94  -8.780   3.848  -0.004
  747   3HD1  ILE  94          HD13      ILE  94  -8.811   4.302  -1.709
  748    H    HIS  95           HN       HIS  95 -11.949   2.864   1.272
  749    HA   HIS  95           HA       HIS  95 -14.580   3.835   0.794
  750   1HB   HIS  95          HB2       HIS  95 -12.431   4.404   2.593
  751   2HB   HIS  95          HB1       HIS  95 -12.906   5.914   1.825
  752    HD1  HIS  95           HD1      HIS  95 -15.015   7.005   2.643
  753    HD2  HIS  95           HD2      HIS  95 -14.562   3.119   4.054
  754    HE1  HIS  95           HE1      HIS  95 -16.781   6.718   4.406
  755    HE2  HIS  95           HE2      HIS  95 -16.623   4.296   5.083
  756    H    SER  96           HN       SER  96 -11.839   5.982   0.554
  757    HA   SER  96           HA       SER  96 -11.689   6.176  -2.270
  758   1HB   SER  96          HB2       SER  96 -13.098   8.437  -0.826
  759   2HB   SER  96          HB1       SER  96 -12.465   8.542  -2.466
  760    HG   SER  96           HG       SER  96 -14.092   6.378  -2.073
  761    H    GLU  97           HN       GLU  97 -11.461   8.242   0.582
  762    HA   GLU  97           HA       GLU  97  -8.574   8.548   0.175
  763   1HB   GLU  97          HB2       GLU  97  -9.894  10.608  -0.314
  764   2HB   GLU  97          HB1       GLU  97 -10.592  10.530   1.294
  765   1HG   GLU  97          HG2       GLU  97  -8.010  10.592   1.959
  766   2HG   GLU  97          HG1       GLU  97  -7.928  11.443   0.415
  767    H    VAL  98           HN       VAL  98  -8.608   9.966   2.869
  768    HA   VAL  98           HA       VAL  98  -8.589   7.667   4.556
  769    HB   VAL  98           HB       VAL  98  -7.050   9.529   4.970
  770   1HG1  VAL  98          HG11      VAL  98  -8.426  11.395   4.310
  771   2HG1  VAL  98          HG12      VAL  98  -7.870  11.625   5.968
  772   3HG1  VAL  98          HG13      VAL  98  -9.525  11.102   5.657
  773   1HG2  VAL  98          HG21      VAL  98  -7.624   8.065   6.826
  774   2HG2  VAL  98          HG22      VAL  98  -8.996   9.096   7.234
  775   3HG2  VAL  98          HG23      VAL  98  -7.351   9.713   7.391
  776    H    PHE  99           HN       PHE  99 -10.920  10.158   3.716
  777    HA   PHE  99           HA       PHE  99 -12.942   8.532   4.988
  778   1HB   PHE  99          HB2       PHE  99 -13.936  10.237   6.353
  779   2HB   PHE  99          HB1       PHE  99 -12.241  10.088   6.790
  780    HD1  PHE  99           HD1      PHE  99 -10.624  11.837   5.935
  781    HD2  PHE  99           HD2      PHE  99 -14.847  12.288   5.703
  782    HE1  PHE  99           HE1      PHE  99 -10.345  14.265   5.676
  783    HE2  PHE  99           HE2      PHE  99 -14.576  14.720   5.434
  784    HZ   PHE  99           HZ       PHE  99 -12.321  15.711   5.421
  785    H    LYS 100           HN       LYS 100 -12.301  11.453   3.017
  786    HA   LYS 100           HA       LYS 100 -15.127  11.625   2.390
  787   1HB   LYS 100          HB2       LYS 100 -14.529  13.701   1.194
  788   2HB   LYS 100          HB1       LYS 100 -13.995  13.685   2.867
  789   1HG   LYS 100          HG2       LYS 100 -12.182  14.587   1.791
  790   2HG   LYS 100          HG1       LYS 100 -11.740  12.881   1.874
  791   1HD   LYS 100          HD2       LYS 100 -12.515  12.563  -0.426
  792   2HD   LYS 100          HD1       LYS 100 -12.988  14.264  -0.501
  793   1HE   LYS 100          HE2       LYS 100 -10.192  13.205  -0.126
  794   2HE   LYS 100          HE1       LYS 100 -10.851  13.911  -1.602
  795   1HZ   LYS 100          HZ1       LYS 100  -9.575  15.550  -0.469
  796   2HZ   LYS 100          HZ2       LYS 100 -10.397  15.290   0.990
  797   3HZ   LYS 100          HZ3       LYS 100 -11.207  15.987  -0.328
  798    H    SER 101           HN       SER 101 -15.444  12.495  -0.038
  799    HA   SER 101           HA       SER 101 -15.661  12.002  -2.235
  800   1HB   SER 101          HB2       SER 101 -13.113  10.432  -1.811
  801   2HB   SER 101          HB1       SER 101 -13.914  10.579  -3.374
  802    HG   SER 101           HG       SER 101 -13.723  13.022  -2.482
  803    H    SER 102           HN       SER 102 -16.332  10.111   0.169
  804    HA   SER 102           HA       SER 102 -17.475   7.996  -1.492
  805   1HB   SER 102          HB2       SER 102 -16.813   6.459   0.568
  806   2HB   SER 102          HB1       SER 102 -15.686   6.741  -0.759
  807    HG   SER 102           HG       SER 102 -14.824   8.489   0.535
  808    H    ILE 103           HN       ILE 103 -17.272   9.376   1.774
  809    HA   ILE 103           HA       ILE 103 -20.116   8.809   2.126
  810    HB   ILE 103           HB       ILE 103 -18.837   8.054   3.998
  811   1HG1  ILE 103          HG12      ILE 103 -20.177  10.662   4.744
  812   2HG1  ILE 103          HG11      ILE 103 -21.003   9.129   4.493
  813   1HG2  ILE 103          HG21      ILE 103 -17.397   9.489   5.338
  814   2HG2  ILE 103          HG22      ILE 103 -17.687  10.829   4.228
  815   3HG2  ILE 103          HG23      ILE 103 -16.827   9.393   3.671
  816   1HD1  ILE 103          HD11      ILE 103 -19.736   8.170   6.369
  817   2HD1  ILE 103          HD12      ILE 103 -20.730   9.547   6.845
  818   3HD1  ILE 103          HD13      ILE 103 -18.991   9.746   6.640
  Start of MODEL   17
    1   1H    MET   1           HT1      MET   1  13.571   9.614 -11.995
    2   2H    MET   1           HT2      MET   1  13.577  10.397 -13.495
    3   3H    MET   1           HT3      MET   1  12.972  11.190 -12.122
    4    HA   MET   1           HA       MET   1  15.777  10.346 -12.539
    5   1HB   MET   1          HB2       MET   1  14.481  13.077 -12.632
    6   2HB   MET   1          HB1       MET   1  16.218  12.818 -12.562
    7   1HG   MET   1          HG2       MET   1  16.119  11.602 -14.682
    8   2HG   MET   1          HG1       MET   1  14.380  11.881 -14.754
    9   1HE   MET   1          HE1       MET   1  14.551  12.974 -17.161
   10   2HE   MET   1          HE2       MET   1  16.279  12.615 -17.140
   11   3HE   MET   1          HE3       MET   1  15.719  14.231 -17.573
   12    H    ALA   2           HN       ALA   2  14.058  12.848 -10.646
   13    HA   ALA   2           HA       ALA   2  15.712  12.479  -8.373
   14   1HB   ALA   2          HB1       ALA   2  14.116  13.923  -7.207
   15   2HB   ALA   2          HB2       ALA   2  12.993  13.776  -8.559
   16   3HB   ALA   2          HB3       ALA   2  14.546  14.581  -8.785
   17    H    THR   3           HN       THR   3  12.581  11.216  -9.328
   18    HA   THR   3           HA       THR   3  12.914   9.167  -7.253
   19    HB   THR   3           HB       THR   3  11.094  10.579  -6.508
   20    HG1  THR   3           HG1      THR   3   9.609   8.968  -6.228
   21   1HG2  THR   3          HG21      THR   3  10.432  11.593  -8.620
   22   2HG2  THR   3          HG22      THR   3   9.038  10.864  -7.821
   23   3HG2  THR   3          HG23      THR   3   9.802  10.044  -9.184
   24    H    GLU   4           HN       GLU   4  13.268   7.285  -8.174
   25    HA   GLU   4           HA       GLU   4  12.276   6.831 -10.904
   26   1HB   GLU   4          HB2       GLU   4  14.611   5.574  -9.447
   27   2HB   GLU   4          HB1       GLU   4  14.089   5.137 -11.069
   28   1HG   GLU   4          HG2       GLU   4  14.546   7.421 -11.822
   29   2HG   GLU   4          HG1       GLU   4  15.095   7.840 -10.202
   30    HA   PRO   5           HA       PRO   5   9.506   3.776  -9.383
   31   1HB   PRO   5          HB2       PRO   5   9.453   2.052 -11.506
   32   2HB   PRO   5          HB1       PRO   5   8.599   3.598 -11.471
   33   1HG   PRO   5          HG2       PRO   5  11.231   2.915 -12.723
   34   2HG   PRO   5          HG1       PRO   5   9.911   3.914 -13.361
   35   1HD   PRO   5          HD2       PRO   5  12.124   4.999 -12.275
   36   2HD   PRO   5          HD1       PRO   5  10.524   5.752 -12.101
   37    HA   PRO   6           HA       PRO   6  12.577   0.842  -7.763
   38   1HB   PRO   6          HB2       PRO   6  10.475   0.599  -5.687
   39   2HB   PRO   6          HB1       PRO   6  12.174   1.005  -5.512
   40   1HG   PRO   6          HG2       PRO   6  10.356   2.885  -5.181
   41   2HG   PRO   6          HG1       PRO   6  11.831   3.243  -6.107
   42   1HD   PRO   6          HD2       PRO   6   9.128   2.435  -7.146
   43   2HD   PRO   6          HD1       PRO   6  10.099   3.860  -7.595
   44    H    LYS   7           HN       LYS   7  11.719  -1.364  -6.359
   45    HA   LYS   7           HA       LYS   7   9.798  -2.746  -8.055
   46   1HB   LYS   7          HB2       LYS   7  12.278  -2.966  -8.897
   47   2HB   LYS   7          HB1       LYS   7  12.434  -4.067  -7.532
   48   1HG   LYS   7          HG2       LYS   7  11.955  -5.244  -9.624
   49   2HG   LYS   7          HG1       LYS   7  10.685  -5.479  -8.423
   50   1HD   LYS   7          HD2       LYS   7   9.835  -5.057 -10.730
   51   2HD   LYS   7          HD1       LYS   7   9.262  -3.893  -9.533
   52   1HE   LYS   7          HE2       LYS   7  11.022  -2.325 -10.254
   53   2HE   LYS   7          HE1       LYS   7  11.519  -3.484 -11.492
   54   1HZ   LYS   7          HZ1       LYS   7   9.484  -3.225 -12.629
   55   2HZ   LYS   7          HZ2       LYS   7  10.004  -1.652 -12.248
   56   3HZ   LYS   7          HZ3       LYS   7   8.771  -2.382 -11.340
   57    H    ILE   8           HN       ILE   8   8.496  -2.892  -6.260
   58    HA   ILE   8           HA       ILE   8   9.621  -3.852  -3.785
   59    HB   ILE   8           HB       ILE   8   6.867  -2.900  -4.544
   60   1HG1  ILE   8          HG12      ILE   8   7.398  -1.277  -2.670
   61   2HG1  ILE   8          HG11      ILE   8   9.026  -1.940  -2.664
   62   1HG2  ILE   8          HG21      ILE   8   6.581  -4.772  -3.023
   63   2HG2  ILE   8          HG22      ILE   8   6.213  -3.249  -2.210
   64   3HG2  ILE   8          HG23      ILE   8   7.752  -4.060  -1.913
   65   1HD1  ILE   8          HD11      ILE   8   7.724  -0.550  -4.985
   66   2HD1  ILE   8          HD12      ILE   8   9.379  -1.164  -4.917
   67   3HD1  ILE   8          HD13      ILE   8   8.887   0.161  -3.864
   68    H    VAL   9           HN       VAL   9   9.437  -5.791  -2.940
   69    HA   VAL   9           HA       VAL   9   8.462  -7.913  -4.706
   70    HB   VAL   9           HB       VAL   9  10.301  -8.165  -2.328
   71   1HG1  VAL   9          HG11      VAL   9  10.973 -10.261  -3.371
   72   2HG1  VAL   9          HG12      VAL   9   9.823  -9.986  -4.680
   73   3HG1  VAL   9          HG13      VAL   9   9.243 -10.240  -3.035
   74   1HG2  VAL   9          HG21      VAL   9  12.144  -8.188  -3.969
   75   2HG2  VAL   9          HG22      VAL   9  11.314  -6.634  -3.874
   76   3HG2  VAL   9          HG23      VAL   9  10.994  -7.725  -5.224
   77    H    TRP  10           HN       TRP  10   6.814  -9.151  -4.135
   78    HA   TRP  10           HA       TRP  10   5.448  -8.685  -1.650
   79   1HB   TRP  10          HB2       TRP  10   4.154  -9.051  -3.668
   80   2HB   TRP  10          HB1       TRP  10   4.921 -10.617  -3.914
   81    HD1  TRP  10           HD1      TRP  10   3.705  -9.624  -0.430
   82    HE1  TRP  10           HE1      TRP  10   1.750 -11.150   0.241
   83    HE3  TRP  10           HE3      TRP  10   2.967 -11.982  -4.908
   84    HZ2  TRP  10           HZ2      TRP  10   0.092 -13.083  -0.984
   85    HZ3  TRP  10           HZ3      TRP  10   1.166 -13.652  -5.072
   86    HH2  TRP  10           HH2      TRP  10  -0.238 -14.189  -3.150
   87    H    ASN  11           HN       ASN  11   5.809  -9.697   0.173
   88    HA   ASN  11           HA       ASN  11   7.103 -12.335   0.154
   89   1HB   ASN  11          HB2       ASN  11   8.062 -10.529   1.622
   90   2HB   ASN  11          HB1       ASN  11   6.558 -10.558   2.534
   91   1HD2  ASN  11          HD21      ASN  11   9.315 -11.204   3.330
   92   2HD2  ASN  11          HD22      ASN  11   9.244 -12.810   3.983
   93    H    GLU  12           HN       GLU  12   5.509 -13.770  -0.225
   94    HA   GLU  12           HA       GLU  12   2.809 -13.453   0.540
   95   1HB   GLU  12          HB2       GLU  12   4.232 -16.031  -0.099
   96   2HB   GLU  12          HB1       GLU  12   2.505 -15.730  -0.206
   97   1HG   GLU  12          HG2       GLU  12   2.855 -14.185  -2.029
   98   2HG   GLU  12          HG1       GLU  12   4.603 -14.370  -1.880
   99    H    GLY  13           HN       GLY  13   5.549 -14.933   2.110
  100   1HA   GLY  13          HA2       GLY  13   4.079 -16.508   3.977
  101   2HA   GLY  13          HA1       GLY  13   5.784 -16.100   4.076
  102    H    LYS  14           HN       LYS  14   5.229 -13.211   3.962
  103    HA   LYS  14           HA       LYS  14   4.455 -12.911   6.774
  104   1HB   LYS  14          HB2       LYS  14   5.882 -10.947   4.974
  105   2HB   LYS  14          HB1       LYS  14   5.608 -10.757   6.698
  106   1HG   LYS  14          HG2       LYS  14   7.365 -12.794   5.355
  107   2HG   LYS  14          HG1       LYS  14   7.877 -11.414   6.325
  108   1HD   LYS  14          HD2       LYS  14   6.759 -12.408   8.281
  109   2HD   LYS  14          HD1       LYS  14   6.319 -13.808   7.299
  110   1HE   LYS  14          HE2       LYS  14   8.288 -14.352   8.562
  111   2HE   LYS  14          HE1       LYS  14   8.737 -14.184   6.862
  112   1HZ   LYS  14          HZ1       LYS  14  10.289 -13.096   8.447
  113   2HZ   LYS  14          HZ2       LYS  14   9.046 -12.017   8.867
  114   3HZ   LYS  14          HZ3       LYS  14   9.647 -12.041   7.282
  115    H    ARG  15           HN       ARG  15   3.169 -12.590   3.753
  116    HA   ARG  15           HA       ARG  15   1.497 -11.422   2.762
  117   1HB   ARG  15          HB2       ARG  15   0.592 -10.841   5.591
  118   2HB   ARG  15          HB1       ARG  15  -0.386 -10.729   4.135
  119   1HG   ARG  15          HG2       ARG  15  -0.205 -13.138   3.818
  120   2HG   ARG  15          HG1       ARG  15   0.799 -13.252   5.267
  121   1HD   ARG  15          HD2       ARG  15  -2.081 -12.376   5.104
  122   2HD   ARG  15          HD1       ARG  15  -1.460 -13.860   5.828
  123    HE   ARG  15           HE       ARG  15  -0.196 -11.782   7.138
  124   1HH1  ARG  15          HH11      ARG  15  -3.501 -12.856   6.680
  125   2HH1  ARG  15          HH12      ARG  15  -4.055 -12.197   8.195
  126   1HH2  ARG  15          HH21      ARG  15  -0.906 -10.914   9.095
  127   2HH2  ARG  15          HH22      ARG  15  -2.561 -11.115   9.596
  128    H    ARG  16           HN       ARG  16   3.620 -10.042   2.523
  129    HA   ARG  16           HA       ARG  16   2.850  -7.280   3.064
  130   1HB   ARG  16          HB2       ARG  16   4.911  -6.702   4.145
  131   2HB   ARG  16          HB1       ARG  16   4.221  -8.079   4.988
  132   1HG   ARG  16          HG2       ARG  16   5.751  -9.581   4.098
  133   2HG   ARG  16          HG1       ARG  16   6.274  -8.444   2.859
  134   1HD   ARG  16          HD2       ARG  16   7.729  -8.878   4.956
  135   2HD   ARG  16          HD1       ARG  16   7.579  -7.248   4.313
  136    HE   ARG  16           HE       ARG  16   5.629  -7.820   6.343
  137   1HH1  ARG  16          HH11      ARG  16   8.968  -6.886   5.756
  138   2HH1  ARG  16          HH12      ARG  16   9.152  -6.118   7.312
  139   1HH2  ARG  16          HH21      ARG  16   5.863  -6.787   8.369
  140   2HH2  ARG  16          HH22      ARG  16   7.390  -6.054   8.789
  141    H    PHE  17           HN       PHE  17   4.384  -5.743   2.026
  142    HA   PHE  17           HA       PHE  17   5.765  -6.896  -0.309
  143   1HB   PHE  17          HB2       PHE  17   4.463  -4.165  -0.206
  144   2HB   PHE  17          HB1       PHE  17   5.196  -4.941  -1.606
  145    HD1  PHE  17           HD1      PHE  17   2.181  -4.257   0.053
  146    HD2  PHE  17           HD2      PHE  17   4.126  -7.226  -2.293
  147    HE1  PHE  17           HE1      PHE  17  -0.008  -5.186  -0.578
  148    HE2  PHE  17           HE2      PHE  17   1.940  -8.155  -2.933
  149    HZ   PHE  17           HZ       PHE  17  -0.141  -7.125  -2.050
  150    H    GLU  18           HN       GLU  18   7.864  -6.326  -0.499
  151    HA   GLU  18           HA       GLU  18   8.902  -4.205   1.285
  152   1HB   GLU  18          HB2       GLU  18   9.304  -6.892   1.609
  153   2HB   GLU  18          HB1       GLU  18  10.695  -6.446   0.627
  154   1HG   GLU  18          HG2       GLU  18  11.554  -5.045   2.263
  155   2HG   GLU  18          HG1       GLU  18   9.999  -4.878   3.079
  156    H    THR  19           HN       THR  19  10.167  -2.725   0.354
  157    HA   THR  19           HA       THR  19  10.165  -2.491  -2.431
  158    HB   THR  19           HB       THR  19  10.360  -0.599  -0.772
  159    HG1  THR  19           HG1      THR  19  12.533  -0.186  -2.466
  160   1HG2  THR  19          HG21      THR  19  12.596   0.038  -0.006
  161   2HG2  THR  19          HG22      THR  19  13.256  -1.446  -0.693
  162   3HG2  THR  19          HG23      THR  19  12.113  -1.528   0.648
  163    H    GLU  20           HN       GLU  20  12.257  -2.012  -3.643
  164    HA   GLU  20           HA       GLU  20  13.521  -4.426  -4.139
  165   1HB   GLU  20          HB2       GLU  20  15.222  -2.826  -5.345
  166   2HB   GLU  20          HB1       GLU  20  13.588  -3.038  -5.941
  167   1HG   GLU  20          HG2       GLU  20  14.250  -0.699  -5.979
  168   2HG   GLU  20          HG1       GLU  20  12.896  -0.964  -4.887
  169    H    ASP  21           HN       ASP  21  14.131  -2.324  -1.618
  170    HA   ASP  21           HA       ASP  21  16.903  -3.313  -1.382
  171   1HB   ASP  21          HB2       ASP  21  16.453  -0.771  -1.651
  172   2HB   ASP  21          HB1       ASP  21  15.933  -0.847   0.030
  173    H    HIS  22           HN       HIS  22  13.831  -3.549  -0.169
  174    HA   HIS  22           HA       HIS  22  12.911  -4.618   1.586
  175   1HB   HIS  22          HB2       HIS  22  15.768  -5.436   2.132
  176   2HB   HIS  22          HB1       HIS  22  14.391  -6.025   3.058
  177    HD1  HIS  22           HD1      HIS  22  12.915  -7.798   1.993
  178    HD2  HIS  22           HD2      HIS  22  15.923  -6.420  -0.532
  179    HE1  HIS  22           HE1      HIS  22  12.936  -9.378   0.028
  180    HE2  HIS  22           HE2      HIS  22  14.684  -8.463  -1.541
  181    H    GLU  23           HN       GLU  23  14.571  -1.909   1.777
  182    HA   GLU  23           HA       GLU  23  14.751  -1.407   4.572
  183   1HB   GLU  23          HB2       GLU  23  14.198   0.586   2.371
  184   2HB   GLU  23          HB1       GLU  23  14.848   0.932   3.962
  185   1HG   GLU  23          HG2       GLU  23  16.913  -0.070   3.437
  186   2HG   GLU  23          HG1       GLU  23  16.269  -0.766   1.950
  187    H    ALA  24           HN       ALA  24  12.498  -0.266   2.142
  188    HA   ALA  24           HA       ALA  24  10.516   0.379   4.157
  189   1HB   ALA  24          HB1       ALA  24  11.007   2.048   2.456
  190   2HB   ALA  24          HB2       ALA  24   9.344   1.480   2.302
  191   3HB   ALA  24          HB3       ALA  24  10.578   0.898   1.188
  192    H    PHE  25           HN       PHE  25   8.420  -0.437   4.114
  193    HA   PHE  25           HA       PHE  25   7.742  -2.582   2.331
  194   1HB   PHE  25          HB2       PHE  25   7.513  -4.272   4.144
  195   2HB   PHE  25          HB1       PHE  25   9.188  -3.826   3.801
  196    HD1  PHE  25           HD1      PHE  25   6.427  -3.559   6.214
  197    HD2  PHE  25           HD2      PHE  25  10.516  -2.677   5.435
  198    HE1  PHE  25           HE1      PHE  25   6.764  -3.046   8.594
  199    HE2  PHE  25           HE2      PHE  25  10.861  -2.161   7.816
  200    HZ   PHE  25           HZ       PHE  25   8.970  -2.297   9.389
  201    H    ILE  26           HN       ILE  26   5.620  -3.381   2.657
  202    HA   ILE  26           HA       ILE  26   3.972  -1.900   4.577
  203    HB   ILE  26           HB       ILE  26   3.731  -1.790   1.730
  204   1HG1  ILE  26          HG12      ILE  26   2.120  -0.710   4.041
  205   2HG1  ILE  26          HG11      ILE  26   3.416   0.097   3.164
  206   1HG2  ILE  26          HG21      ILE  26   2.342  -3.824   1.904
  207   2HG2  ILE  26          HG22      ILE  26   1.412  -2.422   1.380
  208   3HG2  ILE  26          HG23      ILE  26   1.287  -2.986   3.047
  209   1HD1  ILE  26          HD11      ILE  26   0.700  -0.619   2.084
  210   2HD1  ILE  26          HD12      ILE  26   1.999   0.140   1.162
  211   3HD1  ILE  26          HD13      ILE  26   1.271   0.992   2.523
  212    H    GLU  27           HN       GLU  27   2.583  -3.128   5.732
  213    HA   GLU  27           HA       GLU  27   2.696  -6.030   5.249
  214   1HB   GLU  27          HB2       GLU  27   3.276  -4.852   7.508
  215   2HB   GLU  27          HB1       GLU  27   1.540  -4.688   7.689
  216   1HG   GLU  27          HG2       GLU  27   1.799  -6.638   8.788
  217   2HG   GLU  27          HG1       GLU  27   1.653  -7.297   7.158
  218    H    TYR  28           HN       TYR  28   0.553  -7.219   5.573
  219    HA   TYR  28           HA       TYR  28  -1.817  -5.619   5.487
  220   1HB   TYR  28          HB2       TYR  28  -2.610  -6.096   3.299
  221   2HB   TYR  28          HB1       TYR  28  -0.952  -5.562   3.090
  222    HD1  TYR  28           HD1      TYR  28  -3.034  -8.643   3.305
  223    HD2  TYR  28           HD2      TYR  28   0.559  -6.870   1.874
  224    HE1  TYR  28           HE1      TYR  28  -2.534 -10.682   2.017
  225    HE2  TYR  28           HE2      TYR  28   1.058  -8.892   0.582
  226    HH   TYR  28           HH       TYR  28   0.523 -11.216   0.518
  227    H    LYS  29           HN       LYS  29  -3.778  -7.040   5.099
  228    HA   LYS  29           HA       LYS  29  -3.506  -9.855   5.543
  229   1HB   LYS  29          HB2       LYS  29  -4.812  -9.875   7.677
  230   2HB   LYS  29          HB1       LYS  29  -3.193  -9.214   7.836
  231   1HG   LYS  29          HG2       LYS  29  -5.614  -7.466   7.521
  232   2HG   LYS  29          HG1       LYS  29  -5.042  -8.034   9.090
  233   1HD   LYS  29          HD2       LYS  29  -2.759  -7.056   7.884
  234   2HD   LYS  29          HD1       LYS  29  -4.008  -5.923   7.370
  235   1HE   LYS  29          HE2       LYS  29  -3.400  -6.721  10.206
  236   2HE   LYS  29          HE1       LYS  29  -2.917  -5.214   9.437
  237   1HZ   LYS  29          HZ1       LYS  29  -5.279  -4.699   9.102
  238   2HZ   LYS  29          HZ2       LYS  29  -4.871  -4.838  10.741
  239   3HZ   LYS  29          HZ3       LYS  29  -5.704  -6.099   9.970
  240    H    MET  30           HN       MET  30  -5.399 -10.966   4.993
  241    HA   MET  30           HA       MET  30  -7.331  -9.280   3.591
  242   1HB   MET  30          HB2       MET  30  -7.096 -12.307   3.638
  243   2HB   MET  30          HB1       MET  30  -8.054 -11.344   2.520
  244   1HG   MET  30          HG2       MET  30  -6.002 -10.355   1.622
  245   2HG   MET  30          HG1       MET  30  -5.052 -11.342   2.727
  246   1HE   MET  30          HE1       MET  30  -8.289 -12.305   0.664
  247   2HE   MET  30          HE2       MET  30  -7.552 -12.980  -0.790
  248   3HE   MET  30          HE3       MET  30  -7.355 -11.268  -0.415
  249    H    ARG  31           HN       ARG  31  -9.011  -8.611   4.655
  250    HA   ARG  31           HA       ARG  31 -10.004 -10.031   7.019
  251   1HB   ARG  31          HB2       ARG  31 -10.627  -7.275   5.940
  252   2HB   ARG  31          HB1       ARG  31 -11.205  -7.931   7.464
  253   1HG   ARG  31          HG2       ARG  31  -8.990  -7.955   8.368
  254   2HG   ARG  31          HG1       ARG  31  -8.296  -7.533   6.801
  255   1HD   ARG  31          HD2       ARG  31  -8.353  -5.570   8.175
  256   2HD   ARG  31          HD1       ARG  31  -9.534  -5.396   6.879
  257    HE   ARG  31           HE       ARG  31 -11.060  -6.356   8.851
  258   1HH1  ARG  31          HH11      ARG  31  -8.733  -3.738   8.726
  259   2HH1  ARG  31          HH12      ARG  31  -9.445  -2.876  10.065
  260   1HH2  ARG  31          HH21      ARG  31 -12.010  -5.231  10.591
  261   2HH2  ARG  31          HH22      ARG  31 -11.319  -3.728  11.128
  262    H    ASN  32           HN       ASN  32 -12.435  -9.835   7.317
  263    HA   ASN  32           HA       ASN  32 -14.553 -10.358   6.678
  264   1HB   ASN  32          HB2       ASN  32 -14.122  -8.141   5.422
  265   2HB   ASN  32          HB1       ASN  32 -13.942  -9.141   3.987
  266   1HD2  ASN  32          HD21      ASN  32 -16.094  -7.799   6.286
  267   2HD2  ASN  32          HD22      ASN  32 -17.572  -8.298   5.536
  268    H    ASN  33           HN       ASN  33 -12.748 -12.388   6.473
  269    HA   ASN  33           HA       ASN  33 -12.471 -14.480   5.628
  270   1HB   ASN  33          HB2       ASN  33 -15.002 -14.372   5.534
  271   2HB   ASN  33          HB1       ASN  33 -14.846 -13.926   3.838
  272   1HD2  ASN  33          HD21      ASN  33 -15.951 -15.771   3.187
  273   2HD2  ASN  33          HD22      ASN  33 -15.221 -17.340   3.230
  274    H    GLY  34           HN       GLY  34 -11.364 -12.019   4.356
  275   1HA   GLY  34          HA2       GLY  34  -9.578 -11.955   2.849
  276   2HA   GLY  34          HA1       GLY  34 -10.190 -13.405   2.081
  277    H    LYS  35           HN       LYS  35 -12.485 -10.926   2.651
  278    HA   LYS  35           HA       LYS  35 -12.677 -10.373  -0.195
  279   1HB   LYS  35          HB2       LYS  35 -14.326  -9.438   2.158
  280   2HB   LYS  35          HB1       LYS  35 -14.651  -8.990   0.491
  281   1HG   LYS  35          HG2       LYS  35 -14.613 -11.815   1.504
  282   2HG   LYS  35          HG1       LYS  35 -16.066 -10.827   1.359
  283   1HD   LYS  35          HD2       LYS  35 -15.557 -10.558  -1.069
  284   2HD   LYS  35          HD1       LYS  35 -14.233 -11.708  -0.867
  285   1HE   LYS  35          HE2       LYS  35 -16.273 -12.777  -1.730
  286   2HE   LYS  35          HE1       LYS  35 -15.788 -13.423  -0.160
  287   1HZ   LYS  35          HZ1       LYS  35 -17.472 -12.149   0.913
  288   2HZ   LYS  35          HZ2       LYS  35 -18.211 -12.967  -0.376
  289   3HZ   LYS  35          HZ3       LYS  35 -17.854 -11.314  -0.513
  290    H    VAL  36           HN       VAL  36 -11.457  -8.938   2.686
  291    HA   VAL  36           HA       VAL  36 -11.060  -6.388   1.275
  292    HB   VAL  36           HB       VAL  36 -11.540  -6.939   4.202
  293   1HG1  VAL  36          HG11      VAL  36  -9.713  -5.332   4.031
  294   2HG1  VAL  36          HG12      VAL  36 -11.185  -4.544   4.599
  295   3HG1  VAL  36          HG13      VAL  36 -10.669  -4.344   2.925
  296   1HG2  VAL  36          HG21      VAL  36 -12.964  -5.199   2.192
  297   2HG2  VAL  36          HG22      VAL  36 -13.390  -5.366   3.895
  298   3HG2  VAL  36          HG23      VAL  36 -13.526  -6.752   2.813
  299    H    MET  37           HN       MET  37  -9.044  -5.912   0.814
  300    HA   MET  37           HA       MET  37  -6.836  -7.265   2.138
  301   1HB   MET  37          HB2       MET  37  -7.244  -6.337  -0.432
  302   2HB   MET  37          HB1       MET  37  -6.250  -5.077   0.277
  303   1HG   MET  37          HG2       MET  37  -4.793  -6.582  -0.799
  304   2HG   MET  37          HG1       MET  37  -4.615  -6.835   0.936
  305   1HE   MET  37          HE1       MET  37  -4.105 -10.362  -0.843
  306   2HE   MET  37          HE2       MET  37  -3.312  -9.100   0.101
  307   3HE   MET  37          HE3       MET  37  -3.763  -8.794  -1.576
  308    H    ASP  38           HN       ASP  38  -6.271  -6.449   4.037
  309    HA   ASP  38           HA       ASP  38  -6.709  -3.625   4.578
  310   1HB   ASP  38          HB2       ASP  38  -7.362  -5.470   6.168
  311   2HB   ASP  38          HB1       ASP  38  -5.648  -5.760   6.434
  312    H    LEU  39           HN       LEU  39  -5.209  -2.335   3.864
  313    HA   LEU  39           HA       LEU  39  -2.439  -3.163   3.643
  314   1HB   LEU  39          HB2       LEU  39  -3.961  -0.686   2.849
  315   2HB   LEU  39          HB1       LEU  39  -2.210  -0.718   2.821
  316    HG   LEU  39           HG       LEU  39  -2.150  -2.300   1.084
  317   1HD1  LEU  39          HD11      LEU  39  -3.859  -3.841   1.802
  318   2HD1  LEU  39          HD12      LEU  39  -4.149  -3.354   0.131
  319   3HD1  LEU  39          HD13      LEU  39  -5.116  -2.661   1.435
  320   1HD2  LEU  39          HD21      LEU  39  -4.397  -0.382   0.502
  321   2HD2  LEU  39          HD22      LEU  39  -3.373  -1.183  -0.690
  322   3HD2  LEU  39          HD23      LEU  39  -2.677  -0.005   0.423
  323    H    VAL  40           HN       VAL  40  -1.224  -3.076   5.419
  324    HA   VAL  40           HA       VAL  40  -1.925  -1.011   7.376
  325    HB   VAL  40           HB       VAL  40  -2.806  -3.181   8.106
  326   1HG1  VAL  40          HG11      VAL  40  -1.199  -4.659   7.031
  327   2HG1  VAL  40          HG12      VAL  40  -1.326  -4.997   8.757
  328   3HG1  VAL  40          HG13      VAL  40   0.059  -4.100   8.135
  329   1HG2  VAL  40          HG21      VAL  40  -0.487  -2.225   9.769
  330   2HG2  VAL  40          HG22      VAL  40  -1.842  -3.195  10.344
  331   3HG2  VAL  40          HG23      VAL  40  -2.115  -1.549   9.774
  332    H    HIS  41           HN       HIS  41  -0.344   0.322   7.660
  333    HA   HIS  41           HA       HIS  41   1.620   1.064   8.505
  334   1HB   HIS  41          HB2       HIS  41   1.647  -1.168   9.742
  335   2HB   HIS  41          HB1       HIS  41   2.706  -1.741   8.466
  336    HD1  HIS  41           HD1      HIS  41   3.898  -1.882  11.124
  337    HD2  HIS  41           HD2      HIS  41   4.074   1.619   8.886
  338    HE1  HIS  41           HE1      HIS  41   5.809  -0.563  12.077
  339    HE2  HIS  41           HE2      HIS  41   5.718   1.650  10.886
  340    H    THR  42           HN       THR  42   1.931   2.146   6.560
  341    HA   THR  42           HA       THR  42   3.881   1.071   4.708
  342    HB   THR  42           HB       THR  42   2.281   2.627   3.764
  343    HG1  THR  42           HG1      THR  42   4.443   4.359   3.893
  344   1HG2  THR  42          HG21      THR  42   1.658   3.821   5.798
  345   2HG2  THR  42          HG22      THR  42   2.115   4.955   4.527
  346   3HG2  THR  42          HG23      THR  42   3.241   4.600   5.841
  347    H    TYR  43           HN       TYR  43   6.041   1.143   5.115
  348    HA   TYR  43           HA       TYR  43   6.992   3.320   6.824
  349   1HB   TYR  43          HB2       TYR  43   6.705   0.978   8.009
  350   2HB   TYR  43          HB1       TYR  43   8.237   0.633   7.204
  351    HD1  TYR  43           HD1      TYR  43   6.739   3.527   8.997
  352    HD2  TYR  43           HD2      TYR  43  10.089   0.951   8.565
  353    HE1  TYR  43           HE1      TYR  43   7.896   4.761  10.764
  354    HE2  TYR  43           HE2      TYR  43  11.268   2.182  10.340
  355    HH   TYR  43           HH       TYR  43  11.218   4.415  11.390
  356    H    VAL  44           HN       VAL  44   8.795   4.248   6.147
  357    HA   VAL  44           HA       VAL  44  10.468   2.909   4.173
  358    HB   VAL  44           HB       VAL  44   8.829   3.975   2.770
  359   1HG1  VAL  44          HG11      VAL  44   7.951   5.628   4.317
  360   2HG1  VAL  44          HG12      VAL  44   8.432   6.394   2.802
  361   3HG1  VAL  44          HG13      VAL  44   9.459   6.538   4.230
  362   1HG2  VAL  44          HG21      VAL  44  10.247   5.494   1.473
  363   2HG2  VAL  44          HG22      VAL  44  11.105   4.036   1.970
  364   3HG2  VAL  44          HG23      VAL  44  11.387   5.557   2.816
  365    HA   PRO  45           HA       PRO  45  13.341   5.116   6.783
  366   1HB   PRO  45          HB2       PRO  45  15.448   3.694   5.402
  367   2HB   PRO  45          HB1       PRO  45  14.846   3.465   7.046
  368   1HG   PRO  45          HG2       PRO  45  14.487   1.631   5.071
  369   2HG   PRO  45          HG1       PRO  45  13.349   1.849   6.414
  370   1HD   PRO  45          HD2       PRO  45  13.185   2.917   3.609
  371   2HD   PRO  45          HD1       PRO  45  11.921   2.144   4.595
  372    H    SER  46           HN       SER  46  15.997   5.467   5.884
  373    HA   SER  46           HA       SER  46  15.644   8.148   5.175
  374   1HB   SER  46          HB2       SER  46  18.223   6.582   5.156
  375   2HB   SER  46          HB1       SER  46  18.032   8.324   5.374
  376    HG   SER  46           HG       SER  46  18.294   6.884   7.320
  377    H    PHE  47           HN       PHE  47  16.733   5.407   3.185
  378    HA   PHE  47           HA       PHE  47  17.914   6.962   1.158
  379   1HB   PHE  47          HB2       PHE  47  18.108   4.430   1.531
  380   2HB   PHE  47          HB1       PHE  47  16.605   4.305   0.639
  381    HD1  PHE  47           HD1      PHE  47  16.557   4.444  -1.704
  382    HD2  PHE  47           HD2      PHE  47  20.123   5.421   0.402
  383    HE1  PHE  47           HE1      PHE  47  17.797   4.478  -3.829
  384    HE2  PHE  47           HE2      PHE  47  21.367   5.459  -1.719
  385    HZ   PHE  47           HZ       PHE  47  20.226   5.027  -3.824
  386    H    LYS  48           HN       LYS  48  14.601   6.004   1.689
  387    HA   LYS  48           HA       LYS  48  13.886   7.084  -0.948
  388   1HB   LYS  48          HB2       LYS  48  12.123   5.377   0.795
  389   2HB   LYS  48          HB1       LYS  48  11.942   5.720  -0.915
  390   1HG   LYS  48          HG2       LYS  48  14.144   4.050   0.295
  391   2HG   LYS  48          HG1       LYS  48  12.685   3.426  -0.469
  392   1HD   LYS  48          HD2       LYS  48  13.470   4.857  -2.497
  393   2HD   LYS  48          HD1       LYS  48  15.041   4.783  -1.704
  394   1HE   LYS  48          HE2       LYS  48  13.382   2.350  -2.300
  395   2HE   LYS  48          HE1       LYS  48  14.555   3.004  -3.440
  396   1HZ   LYS  48          HZ1       LYS  48  16.318   2.559  -1.935
  397   2HZ   LYS  48          HZ2       LYS  48  15.385   1.151  -2.021
  398   3HZ   LYS  48          HZ3       LYS  48  15.262   2.168  -0.668
  399    H    ARG  49           HN       ARG  49  12.786   6.994   2.440
  400    HA   ARG  49           HA       ARG  49  11.348   8.298   3.621
  401   1HB   ARG  49          HB2       ARG  49  12.949  10.386   2.152
  402   2HB   ARG  49          HB1       ARG  49  11.860  10.757   3.479
  403   1HG   ARG  49          HG2       ARG  49  14.254   8.939   3.653
  404   2HG   ARG  49          HG1       ARG  49  14.200  10.617   4.192
  405   1HD   ARG  49          HD2       ARG  49  12.440   8.405   5.250
  406   2HD   ARG  49          HD1       ARG  49  13.910   8.981   6.034
  407    HE   ARG  49           HE       ARG  49  12.286  11.195   5.642
  408   1HH1  ARG  49          HH11      ARG  49  12.236   8.208   7.475
  409   2HH1  ARG  49          HH12      ARG  49  11.195   8.843   8.710
  410   1HH2  ARG  49          HH21      ARG  49  10.940  12.036   7.286
  411   2HH2  ARG  49          HH22      ARG  49  10.445  11.008   8.602
  412    H    GLY  50           HN       GLY  50  11.300  10.840   1.249
  413   1HA   GLY  50          HA2       GLY  50   8.425  10.269   0.885
  414   2HA   GLY  50          HA1       GLY  50   9.082  11.887   1.066
  415    H    LEU  51           HN       LEU  51  10.512   9.348  -0.920
  416    HA   LEU  51           HA       LEU  51  10.350  11.008  -3.263
  417   1HB   LEU  51          HB2       LEU  51  11.113   8.094  -3.064
  418   2HB   LEU  51          HB1       LEU  51  11.375   9.133  -4.446
  419    HG   LEU  51           HG       LEU  51  12.735   9.350  -1.765
  420   1HD1  LEU  51          HD11      LEU  51  13.568   7.533  -3.125
  421   2HD1  LEU  51          HD12      LEU  51  14.754   8.837  -3.056
  422   3HD1  LEU  51          HD13      LEU  51  13.762   8.620  -4.498
  423   1HD2  LEU  51          HD21      LEU  51  14.022  11.174  -2.751
  424   2HD2  LEU  51          HD22      LEU  51  12.303  11.570  -2.707
  425   3HD2  LEU  51          HD23      LEU  51  13.057  11.073  -4.223
  426    H    GLY  52           HN       GLY  52   8.080   9.114  -1.742
  427   1HA   GLY  52          HA2       GLY  52   5.909   8.891  -2.871
  428   2HA   GLY  52          HA1       GLY  52   6.808   8.465  -4.322
  429    H    LEU  53           HN       LEU  53   8.650   6.880  -2.526
  430    HA   LEU  53           HA       LEU  53   7.774   4.405  -3.342
  431   1HB   LEU  53          HB2       LEU  53  10.090   5.075  -2.661
  432   2HB   LEU  53          HB1       LEU  53   9.585   4.935  -0.994
  433    HG   LEU  53           HG       LEU  53  10.884   2.982  -2.058
  434   1HD1  LEU  53          HD11      LEU  53   9.831   2.839   0.128
  435   2HD1  LEU  53          HD12      LEU  53   9.642   1.330  -0.765
  436   3HD1  LEU  53          HD13      LEU  53   8.287   2.450  -0.628
  437   1HD2  LEU  53          HD21      LEU  53   9.502   1.331  -3.195
  438   2HD2  LEU  53          HD22      LEU  53   9.581   2.840  -4.103
  439   3HD2  LEU  53          HD23      LEU  53   8.137   2.450  -3.167
  440    H    ALA  54           HN       ALA  54   7.289   5.914  -0.155
  441    HA   ALA  54           HA       ALA  54   6.212   3.745   1.193
  442   1HB   ALA  54          HB1       ALA  54   6.763   5.888   2.253
  443   2HB   ALA  54          HB2       ALA  54   5.130   5.357   2.653
  444   3HB   ALA  54          HB3       ALA  54   5.375   6.630   1.458
  445    H    SER  55           HN       SER  55   4.519   6.197  -0.708
  446    HA   SER  55           HA       SER  55   1.973   5.033  -0.544
  447   1HB   SER  55          HB2       SER  55   3.050   6.837  -2.719
  448   2HB   SER  55          HB1       SER  55   1.357   6.611  -2.274
  449    HG   SER  55           HG       SER  55   1.616   8.037  -0.763
  450    H    HIS  56           HN       HIS  56   4.666   4.535  -2.739
  451    HA   HIS  56           HA       HIS  56   3.334   3.077  -4.739
  452   1HB   HIS  56          HB2       HIS  56   6.176   3.212  -3.812
  453   2HB   HIS  56          HB1       HIS  56   5.705   1.924  -4.913
  454    HD1  HIS  56           HD1      HIS  56   6.297   2.507  -7.206
  455    HD2  HIS  56           HD2      HIS  56   5.059   5.846  -5.051
  456    HE1  HIS  56           HE1      HIS  56   6.426   4.441  -8.814
  457    HE2  HIS  56           HE2      HIS  56   5.614   6.446  -7.513
  458    H    LEU  57           HN       LEU  57   4.619   2.147  -1.616
  459    HA   LEU  57           HA       LEU  57   4.358  -0.644  -1.862
  460   1HB   LEU  57          HB2       LEU  57   4.058   1.109   0.588
  461   2HB   LEU  57          HB1       LEU  57   4.248  -0.634   0.616
  462    HG   LEU  57           HG       LEU  57   6.324   1.227  -0.532
  463   1HD1  LEU  57          HD11      LEU  57   7.540   0.933   1.556
  464   2HD1  LEU  57          HD12      LEU  57   6.193   0.012   2.223
  465   3HD1  LEU  57          HD13      LEU  57   5.986   1.722   1.839
  466   1HD2  LEU  57          HD21      LEU  57   6.394  -1.097  -1.310
  467   2HD2  LEU  57          HD22      LEU  57   6.454  -1.650   0.362
  468   3HD2  LEU  57          HD23      LEU  57   7.785  -0.702  -0.303
  469    H    CYS  58           HN       CYS  58   2.158   1.857  -0.704
  470    HA   CYS  58           HA       CYS  58  -0.035   0.196  -0.118
  471   1HB   CYS  58          HB2       CYS  58   0.248   2.552   0.639
  472   2HB   CYS  58          HB1       CYS  58  -0.066   3.088  -1.012
  473    HG   CYS  58           HG       CYS  58  -2.648   1.570  -0.806
  474    H    VAL  59           HN       VAL  59   0.871   1.954  -3.054
  475    HA   VAL  59           HA       VAL  59  -1.441   1.383  -4.545
  476    HB   VAL  59           HB       VAL  59   1.369   1.950  -5.501
  477   1HG1  VAL  59          HG11      VAL  59   0.069   0.832  -7.251
  478   2HG1  VAL  59          HG12      VAL  59   0.375   2.523  -7.648
  479   3HG1  VAL  59          HG13      VAL  59  -1.212   2.029  -7.061
  480   1HG2  VAL  59          HG21      VAL  59   0.517   4.213  -5.866
  481   2HG2  VAL  59          HG22      VAL  59   0.394   3.737  -4.171
  482   3HG2  VAL  59          HG23      VAL  59  -1.042   3.731  -5.197
  483    H    ALA  60           HN       ALA  60   1.541  -0.443  -4.066
  484    HA   ALA  60           HA       ALA  60   1.071  -2.352  -6.111
  485   1HB   ALA  60          HB1       ALA  60   2.798  -3.686  -5.010
  486   2HB   ALA  60          HB2       ALA  60   2.716  -2.640  -3.592
  487   3HB   ALA  60          HB3       ALA  60   3.292  -1.999  -5.131
  488    H    ALA  61           HN       ALA  61  -0.053  -2.069  -2.788
  489    HA   ALA  61           HA       ALA  61  -1.147  -4.709  -2.714
  490   1HB   ALA  61          HB1       ALA  61  -0.662  -3.544  -0.655
  491   2HB   ALA  61          HB2       ALA  61  -2.389  -3.887  -0.753
  492   3HB   ALA  61          HB3       ALA  61  -1.793  -2.259  -1.083
  493    H    PHE  62           HN       PHE  62  -2.251  -1.512  -3.680
  494    HA   PHE  62           HA       PHE  62  -4.947  -2.127  -4.172
  495   1HB   PHE  62          HB2       PHE  62  -3.099  -0.081  -5.383
  496   2HB   PHE  62          HB1       PHE  62  -4.762  -0.260  -5.930
  497    HD1  PHE  62           HD1      PHE  62  -6.344  -0.567  -3.605
  498    HD2  PHE  62           HD2      PHE  62  -2.846   1.796  -4.132
  499    HE1  PHE  62           HE1      PHE  62  -7.078   0.910  -1.773
  500    HE2  PHE  62           HE2      PHE  62  -3.576   3.284  -2.309
  501    HZ   PHE  62           HZ       PHE  62  -5.749   2.890  -1.194
  502    H    GLU  63           HN       GLU  63  -2.146  -2.162  -6.367
  503    HA   GLU  63           HA       GLU  63  -3.408  -3.005  -8.687
  504   1HB   GLU  63          HB2       GLU  63  -0.692  -3.987  -7.800
  505   2HB   GLU  63          HB1       GLU  63  -1.273  -3.808  -9.446
  506   1HG   GLU  63          HG2       GLU  63  -1.389  -1.329  -9.001
  507   2HG   GLU  63          HG1       GLU  63  -0.526  -1.649  -7.503
  508    H    HIS  64           HN       HIS  64  -2.289  -4.839  -5.936
  509    HA   HIS  64           HA       HIS  64  -2.513  -7.401  -7.122
  510   1HB   HIS  64          HB2       HIS  64  -1.124  -6.735  -5.103
  511   2HB   HIS  64          HB1       HIS  64  -2.616  -6.777  -4.174
  512    HD1  HIS  64           HD1      HIS  64   0.061  -8.893  -5.497
  513    HD2  HIS  64           HD2      HIS  64  -3.783  -9.432  -4.003
  514    HE1  HIS  64           HE1      HIS  64  -0.126 -11.349  -4.967
  515    HE2  HIS  64           HE2      HIS  64  -2.508 -11.674  -4.195
  516    H    ALA  65           HN       ALA  65  -4.595  -5.582  -4.895
  517    HA   ALA  65           HA       ALA  65  -6.577  -7.632  -4.770
  518   1HB   ALA  65          HB1       ALA  65  -7.906  -6.020  -3.545
  519   2HB   ALA  65          HB2       ALA  65  -6.802  -4.727  -4.015
  520   3HB   ALA  65          HB3       ALA  65  -6.241  -6.024  -2.959
  521    H    SER  66           HN       SER  66  -6.405  -4.486  -6.445
  522    HA   SER  66           HA       SER  66  -8.884  -4.461  -7.639
  523   1HB   SER  66          HB2       SER  66  -6.298  -3.567  -8.930
  524   2HB   SER  66          HB1       SER  66  -7.919  -3.035  -9.373
  525    HG   SER  66           HG       SER  66  -6.463  -2.508  -7.013
  526    H    SER  67           HN       SER  67  -5.948  -6.032  -8.946
  527    HA   SER  67           HA       SER  67  -7.238  -6.823 -11.351
  528   1HB   SER  67          HB2       SER  67  -4.675  -7.838 -10.104
  529   2HB   SER  67          HB1       SER  67  -5.188  -8.112 -11.772
  530    HG   SER  67           HG       SER  67  -3.746  -6.330 -11.600
  531    H    HIS  68           HN       HIS  68  -6.921  -8.296  -8.201
  532    HA   HIS  68           HA       HIS  68  -7.967 -10.834  -9.212
  533   1HB   HIS  68          HB2       HIS  68  -6.113 -10.623  -7.427
  534   2HB   HIS  68          HB1       HIS  68  -7.408 -10.193  -6.316
  535    HD1  HIS  68           HD1      HIS  68  -5.967 -13.065  -8.216
  536    HD2  HIS  68           HD2      HIS  68  -9.090 -12.329  -5.569
  537    HE1  HIS  68           HE1      HIS  68  -6.804 -15.328  -7.506
  538    HE2  HIS  68           HE2      HIS  68  -8.618 -14.863  -5.821
  539    H    SER  69           HN       SER  69  -9.244  -7.980  -8.581
  540    HA   SER  69           HA       SER  69 -11.285  -7.149  -8.072
  541   1HB   SER  69          HB2       SER  69 -11.995  -8.978  -9.657
  542   2HB   SER  69          HB1       SER  69 -12.293  -9.998  -8.251
  543    HG   SER  69           HG       SER  69 -14.204  -9.117  -8.351
  544    H    ILE  70           HN       ILE  70  -9.846  -7.179  -5.958
  545    HA   ILE  70           HA       ILE  70 -11.500  -8.319  -3.800
  546    HB   ILE  70           HB       ILE  70  -8.558  -7.604  -3.629
  547   1HG1  ILE  70          HG12      ILE  70  -9.811 -10.347  -3.920
  548   2HG1  ILE  70          HG11      ILE  70  -8.925  -9.498  -5.184
  549   1HG2  ILE  70          HG21      ILE  70 -10.342  -9.162  -1.759
  550   2HG2  ILE  70          HG22      ILE  70  -9.722  -7.532  -1.494
  551   3HG2  ILE  70          HG23      ILE  70  -8.611  -8.902  -1.549
  552   1HD1  ILE  70          HD11      ILE  70  -7.555 -11.193  -4.098
  553   2HD1  ILE  70          HD12      ILE  70  -7.789 -10.394  -2.544
  554   3HD1  ILE  70          HD13      ILE  70  -6.905  -9.576  -3.832
  555    H    SER  71           HN       SER  71 -11.803  -6.962  -1.932
  556    HA   SER  71           HA       SER  71 -11.689  -4.105  -2.531
  557   1HB   SER  71          HB2       SER  71 -12.953  -5.557  -0.187
  558   2HB   SER  71          HB1       SER  71 -13.162  -3.851  -0.591
  559    HG   SER  71           HG       SER  71 -13.715  -5.475  -2.699
  560    H    ILE  72           HN       ILE  72 -11.040  -2.697  -0.544
  561    HA   ILE  72           HA       ILE  72  -8.752  -3.892   0.857
  562    HB   ILE  72           HB       ILE  72  -8.615  -1.556  -1.069
  563   1HG1  ILE  72          HG12      ILE  72  -7.240  -4.223  -0.890
  564   2HG1  ILE  72          HG11      ILE  72  -8.223  -3.588  -2.206
  565   1HG2  ILE  72          HG21      ILE  72  -7.448  -0.804   0.891
  566   2HG2  ILE  72          HG22      ILE  72  -6.279  -1.202  -0.371
  567   3HG2  ILE  72          HG23      ILE  72  -6.539  -2.313   0.973
  568   1HD1  ILE  72          HD11      ILE  72  -6.488  -1.967  -2.724
  569   2HD1  ILE  72          HD12      ILE  72  -5.874  -3.617  -2.793
  570   3HD1  ILE  72          HD13      ILE  72  -5.501  -2.593  -1.406
  571    H    ILE  73           HN       ILE  73  -8.052  -2.731   2.670
  572    HA   ILE  73           HA       ILE  73  -9.384  -0.230   3.407
  573    HB   ILE  73           HB       ILE  73  -9.278  -2.709   5.138
  574   1HG1  ILE  73          HG12      ILE  73 -11.266  -2.400   3.707
  575   2HG1  ILE  73          HG11      ILE  73 -11.666  -2.315   5.420
  576   1HG2  ILE  73          HG21      ILE  73  -9.837   0.112   6.063
  577   2HG2  ILE  73          HG22      ILE  73  -8.388  -0.826   6.430
  578   3HG2  ILE  73          HG23      ILE  73  -9.959  -1.349   7.042
  579   1HD1  ILE  73          HD11      ILE  73 -12.867  -0.628   4.165
  580   2HD1  ILE  73          HD12      ILE  73 -11.347   0.028   3.556
  581   3HD1  ILE  73          HD13      ILE  73 -11.725   0.127   5.276
  582    HA   PRO  74           HA       PRO  74  -5.003   0.118   4.235
  583   1HB   PRO  74          HB2       PRO  74  -4.929   2.805   3.607
  584   2HB   PRO  74          HB1       PRO  74  -4.786   1.484   2.447
  585   1HG   PRO  74          HG2       PRO  74  -6.919   3.377   2.704
  586   2HG   PRO  74          HG1       PRO  74  -6.783   2.038   1.555
  587   1HD   PRO  74          HD2       PRO  74  -8.283   2.194   4.099
  588   2HD   PRO  74          HD1       PRO  74  -8.558   1.157   2.681
  589    H    SER  75           HN       SER  75  -4.688  -0.037   6.424
  590    HA   SER  75           HA       SER  75  -5.217   2.139   8.241
  591   1HB   SER  75          HB2       SER  75  -4.888  -0.222   9.005
  592   2HB   SER  75          HB1       SER  75  -3.210  -0.131   8.474
  593    HG   SER  75           HG       SER  75  -4.442   0.987  10.694
  594    H    CYS  76           HN       CYS  76  -2.922   1.282   5.899
  595    HA   CYS  76           HA       CYS  76  -0.799   3.003   6.312
  596   1HB   CYS  76          HB2       CYS  76  -2.081   2.034   3.770
  597   2HB   CYS  76          HB1       CYS  76  -0.530   2.820   3.856
  598    HG   CYS  76           HG       CYS  76  -0.373  -0.035   3.536
  599    H    SER  77           HN       SER  77  -3.607   4.183   6.696
  600    HA   SER  77           HA       SER  77  -4.534   5.734   4.658
  601   1HB   SER  77          HB2       SER  77  -4.723   6.732   7.467
  602   2HB   SER  77          HB1       SER  77  -5.964   6.662   6.217
  603    HG   SER  77           HG       SER  77  -5.929   4.354   6.463
  604    H    TYR  78           HN       TYR  78  -1.601   6.433   6.364
  605    HA   TYR  78           HA       TYR  78  -1.385   9.181   5.890
  606   1HB   TYR  78          HB2       TYR  78   0.583   8.525   6.855
  607   2HB   TYR  78          HB1       TYR  78   0.497   6.914   6.149
  608    HD1  TYR  78           HD1      TYR  78   1.499  10.410   5.516
  609    HD2  TYR  78           HD2      TYR  78   1.737   6.386   4.157
  610    HE1  TYR  78           HE1      TYR  78   3.281  11.062   3.963
  611    HE2  TYR  78           HE2      TYR  78   3.522   7.023   2.585
  612    HH   TYR  78           HH       TYR  78   5.165   9.967   2.762
  613    H    VAL  79           HN       VAL  79  -0.790   6.410   3.781
  614    HA   VAL  79           HA       VAL  79  -0.292   7.866   1.400
  615    HB   VAL  79           HB       VAL  79  -1.389   5.047   1.695
  616   1HG1  VAL  79          HG11      VAL  79  -0.466   4.724  -0.564
  617   2HG1  VAL  79          HG12      VAL  79  -0.007   6.427  -0.615
  618   3HG1  VAL  79          HG13      VAL  79  -1.710   5.974  -0.534
  619   1HG2  VAL  79          HG21      VAL  79   1.469   5.996   1.449
  620   2HG2  VAL  79          HG22      VAL  79   0.936   4.315   1.418
  621   3HG2  VAL  79          HG23      VAL  79   0.723   5.281   2.879
  622    H    SER  80           HN       SER  80  -3.128   6.368   2.833
  623    HA   SER  80           HA       SER  80  -4.915   6.715   0.721
  624   1HB   SER  80          HB2       SER  80  -5.618   6.843   3.655
  625   2HB   SER  80          HB1       SER  80  -6.637   6.286   2.325
  626    HG   SER  80           HG       SER  80  -5.571   4.439   2.250
  627    H    ASP  81           HN       ASP  81  -4.032   8.896   3.327
  628    HA   ASP  81           HA       ASP  81  -6.162  10.724   2.895
  629   1HB   ASP  81          HB2       ASP  81  -5.120  10.603   5.063
  630   2HB   ASP  81          HB1       ASP  81  -3.539  10.977   4.390
  631    H    THR  82           HN       THR  82  -2.698  10.821   2.032
  632    HA   THR  82           HA       THR  82  -3.137  13.273   0.537
  633    HB   THR  82           HB       THR  82  -1.105  13.197   1.831
  634    HG1  THR  82           HG1      THR  82  -0.882  14.372  -0.051
  635   1HG2  THR  82          HG21      THR  82  -0.324  10.805   0.162
  636   2HG2  THR  82          HG22      THR  82  -0.694  10.801   1.886
  637   3HG2  THR  82          HG23      THR  82   0.732  11.650   1.293
  638    H    PHE  83           HN       PHE  83  -2.095   9.944  -0.196
  639    HA   PHE  83           HA       PHE  83  -1.563  10.571  -2.931
  640   1HB   PHE  83          HB2       PHE  83  -0.602   8.715  -1.317
  641   2HB   PHE  83          HB1       PHE  83  -1.896   7.763  -2.033
  642    HD1  PHE  83           HD1      PHE  83  -1.163   6.375  -3.700
  643    HD2  PHE  83           HD2      PHE  83   0.590  10.235  -3.320
  644    HE1  PHE  83           HE1      PHE  83   0.236   5.936  -5.677
  645    HE2  PHE  83           HE2      PHE  83   1.992   9.800  -5.293
  646    HZ   PHE  83           HZ       PHE  83   1.816   7.648  -6.476
  647    H    LEU  84           HN       LEU  84  -4.276   9.028  -1.253
  648    HA   LEU  84           HA       LEU  84  -5.406   7.949  -3.621
  649   1HB   LEU  84          HB2       LEU  84  -6.454   8.410  -0.869
  650   2HB   LEU  84          HB1       LEU  84  -7.546   7.927  -2.156
  651    HG   LEU  84           HG       LEU  84  -5.064   6.382  -1.401
  652   1HD1  LEU  84          HD11      LEU  84  -7.933   5.934  -0.615
  653   2HD1  LEU  84          HD12      LEU  84  -6.595   6.342   0.461
  654   3HD1  LEU  84          HD13      LEU  84  -6.619   4.785  -0.370
  655   1HD2  LEU  84          HD21      LEU  84  -6.122   4.604  -2.704
  656   2HD2  LEU  84          HD22      LEU  84  -5.812   6.034  -3.688
  657   3HD2  LEU  84          HD23      LEU  84  -7.445   5.693  -3.114
  658    HA   PRO  85           HA       PRO  85  -8.029  12.046  -3.797
  659   1HB   PRO  85          HB2       PRO  85  -6.082  13.895  -2.557
  660   2HB   PRO  85          HB1       PRO  85  -7.844  13.866  -2.423
  661   1HG   PRO  85          HG2       PRO  85  -6.274  13.105  -0.396
  662   2HG   PRO  85          HG1       PRO  85  -7.819  12.301  -0.730
  663   1HD   PRO  85          HD2       PRO  85  -5.030  11.386  -1.338
  664   2HD   PRO  85          HD1       PRO  85  -6.438  10.452  -0.789
  665    H    ARG  86           HN       ARG  86  -4.558  11.736  -3.838
  666    HA   ARG  86           HA       ARG  86  -4.054  13.591  -5.944
  667   1HB   ARG  86          HB2       ARG  86  -2.394  12.763  -4.222
  668   2HB   ARG  86          HB1       ARG  86  -2.330  11.247  -5.108
  669   1HG   ARG  86          HG2       ARG  86  -1.454  12.384  -7.054
  670   2HG   ARG  86          HG1       ARG  86  -1.617  13.944  -6.243
  671   1HD   ARG  86          HD2       ARG  86  -0.096  13.002  -4.443
  672   2HD   ARG  86          HD1       ARG  86   0.230  11.674  -5.555
  673    HE   ARG  86           HE       ARG  86   0.995  13.499  -7.137
  674   1HH1  ARG  86          HH11      ARG  86   1.184  13.799  -3.647
  675   2HH1  ARG  86          HH12      ARG  86   2.525  14.903  -3.680
  676   1HH2  ARG  86          HH21      ARG  86   2.756  14.985  -7.181
  677   2HH2  ARG  86          HH22      ARG  86   3.393  15.596  -5.682
  678    H    ASN  87           HN       ASN  87  -4.714  10.132  -5.794
  679    HA   ASN  87           HA       ASN  87  -5.528  10.258  -8.577
  680   1HB   ASN  87          HB2       ASN  87  -4.384   8.086  -9.120
  681   2HB   ASN  87          HB1       ASN  87  -3.302   9.455  -8.917
  682   1HD2  ASN  87          HD21      ASN  87  -1.953   9.527  -7.110
  683   2HD2  ASN  87          HD22      ASN  87  -1.615   8.121  -6.169
  684    HA   PRO  88           HA       PRO  88  -8.542   8.091  -5.938
  685   1HB   PRO  88          HB2       PRO  88 -10.548   9.401  -7.582
  686   2HB   PRO  88          HB1       PRO  88 -10.223   9.607  -5.861
  687   1HG   PRO  88          HG2       PRO  88  -9.732  11.542  -7.704
  688   2HG   PRO  88          HG1       PRO  88  -8.787  11.363  -6.213
  689   1HD   PRO  88          HD2       PRO  88  -8.129  10.454  -8.996
  690   2HD   PRO  88          HD1       PRO  88  -7.082  11.242  -7.795
  691    H    SER  89           HN       SER  89  -7.607   6.260  -7.270
  692    HA   SER  89           HA       SER  89  -9.524   5.454  -9.368
  693   1HB   SER  89          HB2       SER  89  -7.152   6.024 -10.107
  694   2HB   SER  89          HB1       SER  89  -6.625   4.612  -9.199
  695    HG   SER  89           HG       SER  89  -6.948   4.062 -11.357
  696    H    TRP  90           HN       TRP  90  -8.976   4.945  -6.283
  697    HA   TRP  90           HA       TRP  90  -9.147   2.008  -6.452
  698   1HB   TRP  90          HB2       TRP  90  -7.735   3.413  -4.196
  699   2HB   TRP  90          HB1       TRP  90  -7.616   1.728  -4.687
  700    HD1  TRP  90           HD1      TRP  90  -5.895   4.977  -5.031
  701    HE1  TRP  90           HE1      TRP  90  -3.996   4.842  -6.750
  702    HE3  TRP  90           HE3      TRP  90  -7.076   0.485  -7.168
  703    HZ2  TRP  90           HZ2      TRP  90  -3.113   3.057  -8.761
  704    HZ3  TRP  90           HZ3      TRP  90  -5.654  -0.361  -8.989
  705    HH2  TRP  90           HH2      TRP  90  -3.716   0.898  -9.769
  706    H    LYS  91           HN       LYS  91 -10.967   4.479  -5.926
  707    HA   LYS  91           HA       LYS  91 -11.880   4.339  -3.277
  708   1HB   LYS  91          HB2       LYS  91 -13.310   5.260  -5.771
  709   2HB   LYS  91          HB1       LYS  91 -13.938   5.463  -4.140
  710   1HG   LYS  91          HG2       LYS  91 -11.839   6.734  -3.601
  711   2HG   LYS  91          HG1       LYS  91 -11.461   6.689  -5.323
  712   1HD   LYS  91          HD2       LYS  91 -13.474   7.908  -5.848
  713   2HD   LYS  91          HD1       LYS  91 -14.001   7.835  -4.166
  714   1HE   LYS  91          HE2       LYS  91 -11.935   9.113  -3.559
  715   2HE   LYS  91          HE1       LYS  91 -11.629   9.323  -5.281
  716   1HZ   LYS  91          HZ1       LYS  91 -14.108  10.216  -3.912
  717   2HZ   LYS  91          HZ2       LYS  91 -13.650  10.555  -5.510
  718   3HZ   LYS  91          HZ3       LYS  91 -12.780  11.218  -4.216
  719    HA   PRO  92           HA       PRO  92 -15.349   1.297  -5.052
  720   1HB   PRO  92          HB2       PRO  92 -13.606  -0.104  -7.009
  721   2HB   PRO  92          HB1       PRO  92 -15.337   0.248  -7.090
  722   1HG   PRO  92          HG2       PRO  92 -13.630   1.659  -8.535
  723   2HG   PRO  92          HG1       PRO  92 -14.988   2.459  -7.720
  724   1HD   PRO  92          HD2       PRO  92 -12.097   2.366  -6.942
  725   2HD   PRO  92          HD1       PRO  92 -13.241   3.723  -6.868
  726    H    LEU  93           HN       LEU  93 -12.061   0.831  -4.290
  727    HA   LEU  93           HA       LEU  93 -12.430  -1.965  -3.523
  728   1HB   LEU  93          HB2       LEU  93  -9.974  -0.266  -3.161
  729   2HB   LEU  93          HB1       LEU  93 -10.077  -2.017  -3.197
  730    HG   LEU  93           HG       LEU  93 -10.676  -0.266  -5.571
  731   1HD1  LEU  93          HD11      LEU  93  -8.448  -0.929  -6.381
  732   2HD1  LEU  93          HD12      LEU  93  -8.127  -1.703  -4.828
  733   3HD1  LEU  93          HD13      LEU  93  -8.360   0.043  -4.912
  734   1HD2  LEU  93          HD21      LEU  93 -10.136  -3.224  -5.308
  735   2HD2  LEU  93          HD22      LEU  93 -10.394  -2.354  -6.821
  736   3HD2  LEU  93          HD23      LEU  93 -11.699  -2.476  -5.640
  737    H    ILE  94           HN       ILE  94 -11.968   1.216  -2.163
  738    HA   ILE  94           HA       ILE  94 -11.894   0.056   0.547
  739    HB   ILE  94           HB       ILE  94 -10.517   1.963   1.212
  740   1HG1  ILE  94          HG12      ILE  94 -10.601   2.724  -1.714
  741   2HG1  ILE  94          HG11      ILE  94 -11.392   3.599  -0.403
  742   1HG2  ILE  94          HG21      ILE  94  -9.423  -0.075   0.389
  743   2HG2  ILE  94          HG22      ILE  94  -8.470   1.370   0.051
  744   3HG2  ILE  94          HG23      ILE  94  -9.402   0.606  -1.238
  745   1HD1  ILE  94          HD11      ILE  94  -9.225   4.073   0.585
  746   2HD1  ILE  94          HD12      ILE  94  -9.328   4.672  -1.071
  747   3HD1  ILE  94          HD13      ILE  94  -8.434   3.192  -0.721
  748    H    HIS  95           HN       HIS  95 -12.027   2.526   1.880
  749    HA   HIS  95           HA       HIS  95 -14.759   3.236   1.815
  750   1HB   HIS  95          HB2       HIS  95 -12.330   4.533   3.053
  751   2HB   HIS  95          HB1       HIS  95 -13.951   5.195   3.235
  752    HD1  HIS  95           HD1      HIS  95 -11.961   3.848   5.472
  753    HD2  HIS  95           HD2      HIS  95 -15.433   2.256   3.810
  754    HE1  HIS  95           HE1      HIS  95 -12.835   2.201   7.158
  755    HE2  HIS  95           HE2      HIS  95 -14.848   1.141   6.071
  756    H    SER  96           HN       SER  96 -11.939   5.299   1.043
  757    HA   SER  96           HA       SER  96 -12.737   5.935  -1.573
  758   1HB   SER  96          HB2       SER  96 -14.557   7.148  -0.289
  759   2HB   SER  96          HB1       SER  96 -13.299   8.165   0.409
  760    HG   SER  96           HG       SER  96 -12.824   8.965  -1.616
  761    H    GLU  97           HN       GLU  97 -11.484   8.092   0.989
  762    HA   GLU  97           HA       GLU  97  -8.822   7.752  -0.160
  763   1HB   GLU  97          HB2       GLU  97 -10.176  10.210   0.942
  764   2HB   GLU  97          HB1       GLU  97  -8.420  10.089   0.868
  765   1HG   GLU  97          HG2       GLU  97  -8.628  10.976  -1.163
  766   2HG   GLU  97          HG1       GLU  97  -9.163   9.373  -1.663
  767    H    VAL  98           HN       VAL  98  -8.634   9.659   2.533
  768    HA   VAL  98           HA       VAL  98  -7.477   7.646   4.125
  769    HB   VAL  98           HB       VAL  98  -6.692   9.865   4.412
  770   1HG1  VAL  98          HG11      VAL  98  -8.054  11.703   5.241
  771   2HG1  VAL  98          HG12      VAL  98  -9.473  10.657   5.260
  772   3HG1  VAL  98          HG13      VAL  98  -8.704  11.071   3.728
  773   1HG2  VAL  98          HG21      VAL  98  -6.653   8.496   6.419
  774   2HG2  VAL  98          HG22      VAL  98  -8.260   9.074   6.858
  775   3HG2  VAL  98          HG23      VAL  98  -6.899  10.194   6.826
  776    H    PHE  99           HN       PHE  99 -10.606   9.362   4.508
  777    HA   PHE  99           HA       PHE  99 -11.907   7.140   5.678
  778   1HB   PHE  99          HB2       PHE  99 -10.353   7.671   7.535
  779   2HB   PHE  99          HB1       PHE  99 -11.024   9.293   7.615
  780    HD1  PHE  99           HD1      PHE  99 -12.046   5.722   7.852
  781    HD2  PHE  99           HD2      PHE  99 -12.749   9.736   9.079
  782    HE1  PHE  99           HE1      PHE  99 -13.742   4.932   9.451
  783    HE2  PHE  99           HE2      PHE  99 -14.445   8.956  10.679
  784    HZ   PHE  99           HZ       PHE  99 -14.944   6.550  10.866
  785    H    LYS 100           HN       LYS 100 -11.802  10.284   4.530
  786    HA   LYS 100           HA       LYS 100 -13.900  11.648   5.617
  787   1HB   LYS 100          HB2       LYS 100 -14.073  12.527   3.080
  788   2HB   LYS 100          HB1       LYS 100 -12.811  13.018   4.197
  789   1HG   LYS 100          HG2       LYS 100 -11.604  12.492   2.303
  790   2HG   LYS 100          HG1       LYS 100 -11.502  10.998   3.223
  791   1HD   LYS 100          HD2       LYS 100 -11.967  10.458   0.939
  792   2HD   LYS 100          HD1       LYS 100 -13.408  10.117   1.899
  793   1HE   LYS 100          HE2       LYS 100 -13.979  11.205  -0.197
  794   2HE   LYS 100          HE1       LYS 100 -14.400  12.227   1.176
  795   1HZ   LYS 100          HZ1       LYS 100 -12.064  12.526  -0.645
  796   2HZ   LYS 100          HZ2       LYS 100 -12.285  13.444   0.769
  797   3HZ   LYS 100          HZ3       LYS 100 -13.397  13.570  -0.504
  798    H    SER 101           HN       SER 101 -14.118   9.290   2.985
  799    HA   SER 101           HA       SER 101 -17.024   9.242   3.420
  800   1HB   SER 101          HB2       SER 101 -15.442   8.152   1.082
  801   2HB   SER 101          HB1       SER 101 -17.202   8.196   1.219
  802    HG   SER 101           HG       SER 101 -16.451  10.660   1.614
  803    H    SER 102           HN       SER 102 -17.836   7.466   4.438
  804    HA   SER 102           HA       SER 102 -16.481   4.931   4.290
  805   1HB   SER 102          HB2       SER 102 -16.317   4.836   6.861
  806   2HB   SER 102          HB1       SER 102 -15.091   5.759   5.991
  807    HG   SER 102           HG       SER 102 -15.816   7.548   6.858
  808    H    ILE 103           HN       ILE 103 -18.863   6.753   6.222
  809    HA   ILE 103           HA       ILE 103 -20.601   4.399   6.165
  810    HB   ILE 103           HB       ILE 103 -22.014   5.799   7.779
  811   1HG1  ILE 103          HG12      ILE 103 -19.423   7.355   8.010
  812   2HG1  ILE 103          HG11      ILE 103 -20.885   7.967   7.242
  813   1HG2  ILE 103          HG21      ILE 103 -19.251   4.890   8.575
  814   2HG2  ILE 103          HG22      ILE 103 -20.708   3.899   8.499
  815   3HG2  ILE 103          HG23      ILE 103 -20.584   5.191   9.691
  816   1HD1  ILE 103          HD11      ILE 103 -22.067   7.763   9.387
  817   2HD1  ILE 103          HD12      ILE 103 -20.673   8.838   9.484
  818   3HD1  ILE 103          HD13      ILE 103 -20.572   7.204  10.139
  Start of MODEL   18
    1   1H    MET   1           HT1      MET   1  19.714   8.967  -9.339
    2   2H    MET   1           HT2      MET   1  19.623  10.658  -9.423
    3   3H    MET   1           HT3      MET   1  19.005   9.714 -10.687
    4    HA   MET   1           HA       MET   1  17.318   8.809  -9.261
    5   1HB   MET   1          HB2       MET   1  18.582   8.931  -7.162
    6   2HB   MET   1          HB1       MET   1  18.493  10.686  -7.198
    7   1HG   MET   1          HG2       MET   1  16.019  10.505  -7.079
    8   2HG   MET   1          HG1       MET   1  16.202   8.764  -6.876
    9   1HE   MET   1          HE1       MET   1  18.130   8.561  -3.458
   10   2HE   MET   1          HE2       MET   1  18.868   8.651  -5.057
   11   3HE   MET   1          HE3       MET   1  17.442   7.646  -4.799
   12    H    ALA   2           HN       ALA   2  15.964   9.713 -10.721
   13    HA   ALA   2           HA       ALA   2  15.312  12.565 -10.304
   14   1HB   ALA   2          HB1       ALA   2  15.043  10.979 -12.864
   15   2HB   ALA   2          HB2       ALA   2  16.272  12.198 -12.526
   16   3HB   ALA   2          HB3       ALA   2  14.575  12.665 -12.638
   17    H    THR   3           HN       THR   3  13.908   9.598 -11.630
   18    HA   THR   3           HA       THR   3  11.778   9.581  -9.700
   19    HB   THR   3           HB       THR   3  11.005   9.785 -12.626
   20    HG1  THR   3           HG1      THR   3  11.492  11.749 -10.780
   21   1HG2  THR   3          HG21      THR   3   8.730   9.968 -11.730
   22   2HG2  THR   3          HG22      THR   3   9.362   9.783 -10.093
   23   3HG2  THR   3          HG23      THR   3   9.492   8.454 -11.244
   24    H    GLU   4           HN       GLU   4  12.568   7.609  -9.133
   25    HA   GLU   4           HA       GLU   4  13.327   5.709 -11.172
   26   1HB   GLU   4          HB2       GLU   4  13.330   5.232  -8.196
   27   2HB   GLU   4          HB1       GLU   4  14.336   4.476  -9.421
   28   1HG   GLU   4          HG2       GLU   4  14.510   7.329  -8.473
   29   2HG   GLU   4          HG1       GLU   4  15.636   6.025  -8.106
   30    HA   PRO   5           HA       PRO   5   9.634   3.242 -10.408
   31   1HB   PRO   5          HB2       PRO   5  10.331   1.332 -12.308
   32   2HB   PRO   5          HB1       PRO   5   9.406   2.800 -12.627
   33   1HG   PRO   5          HG2       PRO   5  12.013   2.167 -13.565
   34   2HG   PRO   5          HG1       PRO   5  11.138   3.692 -13.769
   35   1HD   PRO   5          HD2       PRO   5  13.239   2.964 -11.799
   36   2HD   PRO   5          HD1       PRO   5  12.829   4.552 -12.486
   37    HA   PRO   6           HA       PRO   6  12.427   0.699  -7.724
   38   1HB   PRO   6          HB2       PRO   6  10.052   0.843  -5.964
   39   2HB   PRO   6          HB1       PRO   6  11.746   1.195  -5.609
   40   1HG   PRO   6          HG2       PRO   6  10.003   3.189  -5.844
   41   2HG   PRO   6          HG1       PRO   6  11.630   3.334  -6.534
   42   1HD   PRO   6          HD2       PRO   6   9.052   2.643  -7.916
   43   2HD   PRO   6          HD1       PRO   6  10.308   3.812  -8.401
   44    H    LYS   7           HN       LYS   7  11.870  -1.363  -6.418
   45    HA   LYS   7           HA       LYS   7  10.141  -3.022  -8.117
   46   1HB   LYS   7          HB2       LYS   7  12.734  -3.086  -8.513
   47   2HB   LYS   7          HB1       LYS   7  12.751  -4.027  -7.028
   48   1HG   LYS   7          HG2       LYS   7  12.237  -5.851  -8.164
   49   2HG   LYS   7          HG1       LYS   7  10.743  -5.093  -8.728
   50   1HD   LYS   7          HD2       LYS   7  13.466  -4.861 -10.014
   51   2HD   LYS   7          HD1       LYS   7  12.096  -5.792 -10.625
   52   1HE   LYS   7          HE2       LYS   7  12.057  -2.808 -10.177
   53   2HE   LYS   7          HE1       LYS   7  12.427  -3.571 -11.730
   54   1HZ   LYS   7          HZ1       LYS   7  10.237  -4.587 -11.715
   55   2HZ   LYS   7          HZ2       LYS   7  10.111  -2.899 -11.585
   56   3HZ   LYS   7          HZ3       LYS   7   9.881  -3.874 -10.217
   57    H    ILE   8           HN       ILE   8   8.562  -3.039  -6.493
   58    HA   ILE   8           HA       ILE   8   9.413  -3.885  -3.858
   59    HB   ILE   8           HB       ILE   8   6.738  -2.906  -4.847
   60   1HG1  ILE   8          HG12      ILE   8   7.148  -1.220  -3.001
   61   2HG1  ILE   8          HG11      ILE   8   8.772  -1.876  -2.856
   62   1HG2  ILE   8          HG21      ILE   8   5.935  -3.185  -2.563
   63   2HG2  ILE   8          HG22      ILE   8   7.470  -3.940  -2.123
   64   3HG2  ILE   8          HG23      ILE   8   6.392  -4.734  -3.274
   65   1HD1  ILE   8          HD11      ILE   8   9.246  -1.205  -5.138
   66   2HD1  ILE   8          HD12      ILE   8   8.754   0.159  -4.132
   67   3HD1  ILE   8          HD13      ILE   8   7.616  -0.545  -5.283
   68    H    VAL   9           HN       VAL   9   9.323  -5.810  -3.147
   69    HA   VAL   9           HA       VAL   9   8.316  -7.965  -4.847
   70    HB   VAL   9           HB       VAL   9  10.005  -8.104  -2.338
   71   1HG1  VAL   9          HG11      VAL   9   8.942 -10.214  -2.941
   72   2HG1  VAL   9          HG12      VAL   9  10.690 -10.291  -3.156
   73   3HG1  VAL   9          HG13      VAL   9   9.635 -10.107  -4.559
   74   1HG2  VAL   9          HG21      VAL   9  11.943  -8.286  -3.830
   75   2HG2  VAL   9          HG22      VAL   9  11.132  -6.725  -3.958
   76   3HG2  VAL   9          HG23      VAL   9  10.892  -7.948  -5.207
   77    H    TRP  10           HN       TRP  10   7.038  -9.681  -3.897
   78    HA   TRP  10           HA       TRP  10   5.454  -8.755  -1.609
   79   1HB   TRP  10          HB2       TRP  10   4.138  -9.231  -3.570
   80   2HB   TRP  10          HB1       TRP  10   4.870 -10.824  -3.733
   81    HD1  TRP  10           HD1      TRP  10   3.530  -9.462  -0.388
   82    HE1  TRP  10           HE1      TRP  10   1.571 -10.950   0.359
   83    HE3  TRP  10           HE3      TRP  10   3.127 -12.415  -4.542
   84    HZ2  TRP  10           HZ2      TRP  10   0.054 -13.085  -0.675
   85    HZ3  TRP  10           HZ3      TRP  10   1.392 -14.153  -4.585
   86    HH2  TRP  10           HH2      TRP  10  -0.114 -14.482  -2.689
   87    H    ASN  11           HN       ASN  11   6.084  -9.504   0.282
   88    HA   ASN  11           HA       ASN  11   7.535 -12.045   0.403
   89   1HB   ASN  11          HB2       ASN  11   8.271  -9.783   1.527
   90   2HB   ASN  11          HB1       ASN  11   7.106 -10.240   2.765
   91   1HD2  ASN  11          HD21      ASN  11   7.513 -12.063   4.036
   92   2HD2  ASN  11          HD22      ASN  11   9.090 -12.766   4.146
   93    H    GLU  12           HN       GLU  12   5.755 -13.347   0.053
   94    HA   GLU  12           HA       GLU  12   3.257 -13.181   1.202
   95   1HB   GLU  12          HB2       GLU  12   3.479 -15.845   0.781
   96   2HB   GLU  12          HB1       GLU  12   3.118 -14.661  -0.467
   97   1HG   GLU  12          HG2       GLU  12   4.809 -16.114  -1.287
   98   2HG   GLU  12          HG1       GLU  12   5.548 -14.548  -0.978
   99    H    GLY  13           HN       GLY  13   6.156 -14.612   2.554
  100   1HA   GLY  13          HA2       GLY  13   4.966 -16.152   4.582
  101   2HA   GLY  13          HA1       GLY  13   6.586 -15.473   4.639
  102    H    LYS  14           HN       LYS  14   5.413 -12.730   4.306
  103    HA   LYS  14           HA       LYS  14   4.614 -12.362   7.121
  104   1HB   LYS  14          HB2       LYS  14   5.808 -10.334   5.217
  105   2HB   LYS  14          HB1       LYS  14   5.463 -10.081   6.919
  106   1HG   LYS  14          HG2       LYS  14   7.440 -12.096   5.888
  107   2HG   LYS  14          HG1       LYS  14   7.859 -10.456   6.383
  108   1HD   LYS  14          HD2       LYS  14   7.005 -10.923   8.630
  109   2HD   LYS  14          HD1       LYS  14   6.599 -12.567   8.131
  110   1HE   LYS  14          HE2       LYS  14   8.719 -12.523   9.337
  111   2HE   LYS  14          HE1       LYS  14   8.953 -13.010   7.658
  112   1HZ   LYS  14          HZ1       LYS  14   9.423 -10.268   8.718
  113   2HZ   LYS  14          HZ2       LYS  14   9.722 -10.794   7.132
  114   3HZ   LYS  14          HZ3       LYS  14  10.631 -11.419   8.421
  115    H    ARG  15           HN       ARG  15   3.379 -12.520   4.091
  116    HA   ARG  15           HA       ARG  15   1.754 -11.531   2.849
  117   1HB   ARG  15          HB2       ARG  15   0.541 -11.001   5.571
  118   2HB   ARG  15          HB1       ARG  15  -0.317 -10.947   4.037
  119   1HG   ARG  15          HG2       ARG  15   0.261 -13.342   3.706
  120   2HG   ARG  15          HG1       ARG  15   0.941 -13.332   5.331
  121   1HD   ARG  15          HD2       ARG  15  -1.158 -12.943   6.323
  122   2HD   ARG  15          HD1       ARG  15  -1.893 -12.514   4.777
  123    HE   ARG  15           HE       ARG  15  -1.368 -14.964   4.197
  124   1HH1  ARG  15          HH11      ARG  15  -2.295 -13.827   7.386
  125   2HH1  ARG  15          HH12      ARG  15  -2.993 -15.345   7.861
  126   1HH2  ARG  15          HH21      ARG  15  -2.322 -16.928   4.795
  127   2HH2  ARG  15          HH22      ARG  15  -3.048 -17.102   6.367
  128    H    ARG  16           HN       ARG  16   3.714  -9.958   2.698
  129    HA   ARG  16           HA       ARG  16   2.646  -7.289   2.971
  130   1HB   ARG  16          HB2       ARG  16   4.157  -6.442   4.487
  131   2HB   ARG  16          HB1       ARG  16   3.908  -8.057   5.121
  132   1HG   ARG  16          HG2       ARG  16   5.994  -8.809   4.189
  133   2HG   ARG  16          HG1       ARG  16   6.234  -7.246   3.392
  134   1HD   ARG  16          HD2       ARG  16   6.176  -6.176   5.644
  135   2HD   ARG  16          HD1       ARG  16   6.131  -7.785   6.358
  136    HE   ARG  16           HE       ARG  16   8.352  -7.688   4.671
  137   1HH1  ARG  16          HH11      ARG  16   7.200  -6.110   7.586
  138   2HH1  ARG  16          HH12      ARG  16   8.805  -5.825   8.209
  139   1HH2  ARG  16          HH21      ARG  16  10.439  -7.299   5.471
  140   2HH2  ARG  16          HH22      ARG  16  10.652  -6.476   6.986
  141    H    PHE  17           HN       PHE  17   3.939  -5.690   1.835
  142    HA   PHE  17           HA       PHE  17   5.536  -6.928  -0.302
  143   1HB   PHE  17          HB2       PHE  17   4.306  -4.166  -0.241
  144   2HB   PHE  17          HB1       PHE  17   5.131  -4.909  -1.604
  145    HD1  PHE  17           HD1      PHE  17   2.015  -4.310  -0.070
  146    HD2  PHE  17           HD2      PHE  17   4.113  -7.128  -2.475
  147    HE1  PHE  17           HE1      PHE  17  -0.127  -5.247  -0.846
  148    HE2  PHE  17           HE2      PHE  17   1.977  -8.061  -3.257
  149    HZ   PHE  17           HZ       PHE  17  -0.147  -7.121  -2.444
  150    H    GLU  18           HN       GLU  18   7.573  -6.246  -0.726
  151    HA   GLU  18           HA       GLU  18   8.820  -4.364   1.173
  152   1HB   GLU  18          HB2       GLU  18   9.249  -7.215   0.818
  153   2HB   GLU  18          HB1       GLU  18  10.731  -6.311   0.571
  154   1HG   GLU  18          HG2       GLU  18  10.608  -5.384   2.758
  155   2HG   GLU  18          HG1       GLU  18   8.986  -6.031   3.001
  156    H    THR  19           HN       THR  19   9.875  -2.792   0.097
  157    HA   THR  19           HA       THR  19  10.216  -2.825  -2.691
  158    HB   THR  19           HB       THR  19  10.161  -0.760  -1.227
  159    HG1  THR  19           HG1      THR  19  10.808  -0.376  -3.291
  160   1HG2  THR  19          HG21      THR  19  12.309   0.020  -0.305
  161   2HG2  THR  19          HG22      THR  19  13.018  -1.550  -0.688
  162   3HG2  THR  19          HG23      THR  19  11.718  -1.438   0.496
  163    H    GLU  20           HN       GLU  20  12.418  -2.589  -3.746
  164    HA   GLU  20           HA       GLU  20  13.859  -4.971  -3.492
  165   1HB   GLU  20          HB2       GLU  20  15.478  -3.865  -5.050
  166   2HB   GLU  20          HB1       GLU  20  13.800  -3.783  -5.580
  167   1HG   GLU  20          HG2       GLU  20  13.630  -1.507  -4.751
  168   2HG   GLU  20          HG1       GLU  20  15.296  -1.582  -4.180
  169    H    ASP  21           HN       ASP  21  13.889  -2.397  -1.502
  170    HA   ASP  21           HA       ASP  21  16.711  -2.645  -0.764
  171   1HB   ASP  21          HB2       ASP  21  16.046  -0.397  -1.285
  172   2HB   ASP  21          HB1       ASP  21  14.641  -0.513  -0.238
  173    H    HIS  22           HN       HIS  22  13.550  -3.418   0.173
  174    HA   HIS  22           HA       HIS  22  12.688  -4.679   1.823
  175   1HB   HIS  22          HB2       HIS  22  15.582  -5.133   2.551
  176   2HB   HIS  22          HB1       HIS  22  14.229  -5.973   3.304
  177    HD1  HIS  22           HD1      HIS  22  12.949  -7.711   1.861
  178    HD2  HIS  22           HD2      HIS  22  16.270  -6.022  -0.002
  179    HE1  HIS  22           HE1      HIS  22  13.425  -9.164  -0.145
  180    HE2  HIS  22           HE2      HIS  22  15.558  -8.243  -1.125
  181    H    GLU  23           HN       GLU  23  14.629  -1.989   2.591
  182    HA   GLU  23           HA       GLU  23  13.981  -1.927   5.390
  183   1HB   GLU  23          HB2       GLU  23  15.020   0.299   3.627
  184   2HB   GLU  23          HB1       GLU  23  15.050   0.254   5.385
  185   1HG   GLU  23          HG2       GLU  23  16.565  -1.576   3.526
  186   2HG   GLU  23          HG1       GLU  23  17.235  -0.240   4.470
  187    H    ALA  24           HN       ALA  24  12.546  -0.919   2.446
  188    HA   ALA  24           HA       ALA  24  10.410   0.454   3.922
  189   1HB   ALA  24          HB1       ALA  24   9.738   1.466   1.831
  190   2HB   ALA  24          HB2       ALA  24  10.940   0.520   0.953
  191   3HB   ALA  24          HB3       ALA  24  11.459   1.762   2.093
  192    H    PHE  25           HN       PHE  25   8.478  -0.505   4.070
  193    HA   PHE  25           HA       PHE  25   7.701  -2.634   2.293
  194   1HB   PHE  25          HB2       PHE  25   7.457  -4.257   4.243
  195   2HB   PHE  25          HB1       PHE  25   9.086  -3.996   3.628
  196    HD1  PHE  25           HD1      PHE  25   6.774  -3.331   6.397
  197    HD2  PHE  25           HD2      PHE  25  10.765  -2.966   4.976
  198    HE1  PHE  25           HE1      PHE  25   7.529  -2.764   8.666
  199    HE2  PHE  25           HE2      PHE  25  11.527  -2.398   7.244
  200    HZ   PHE  25           HZ       PHE  25   9.908  -2.298   9.094
  201    H    ILE  26           HN       ILE  26   5.608  -3.498   2.799
  202    HA   ILE  26           HA       ILE  26   3.984  -1.927   4.654
  203    HB   ILE  26           HB       ILE  26   3.881  -1.631   1.851
  204   1HG1  ILE  26          HG12      ILE  26   2.023  -0.804   4.077
  205   2HG1  ILE  26          HG11      ILE  26   3.347   0.117   3.371
  206   1HG2  ILE  26          HG21      ILE  26   1.436  -3.106   2.833
  207   2HG2  ILE  26          HG22      ILE  26   2.592  -3.677   1.631
  208   3HG2  ILE  26          HG23      ILE  26   1.578  -2.277   1.281
  209   1HD1  ILE  26          HD11      ILE  26   1.202   0.959   2.625
  210   2HD1  ILE  26          HD12      ILE  26   0.778  -0.635   1.996
  211   3HD1  ILE  26          HD13      ILE  26   2.106   0.275   1.272
  212    H    GLU  27           HN       GLU  27   2.610  -3.193   5.828
  213    HA   GLU  27           HA       GLU  27   2.551  -6.061   5.210
  214   1HB   GLU  27          HB2       GLU  27   2.082  -4.434   7.671
  215   2HB   GLU  27          HB1       GLU  27   1.230  -5.965   7.522
  216   1HG   GLU  27          HG2       GLU  27   3.043  -6.784   8.534
  217   2HG   GLU  27          HG1       GLU  27   3.725  -6.754   6.913
  218    H    TYR  28           HN       TYR  28   0.380  -7.199   5.510
  219    HA   TYR  28           HA       TYR  28  -1.957  -5.539   5.599
  220   1HB   TYR  28          HB2       TYR  28  -2.852  -5.884   3.418
  221   2HB   TYR  28          HB1       TYR  28  -1.207  -5.319   3.183
  222    HD1  TYR  28           HD1      TYR  28  -3.418  -8.271   3.004
  223    HD2  TYR  28           HD2      TYR  28   0.425  -6.687   2.089
  224    HE1  TYR  28           HE1      TYR  28  -2.968 -10.213   1.570
  225    HE2  TYR  28           HE2      TYR  28   0.883  -8.630   0.651
  226    HH   TYR  28           HH       TYR  28  -1.546 -10.843  -0.285
  227    H    LYS  29           HN       LYS  29  -3.950  -6.831   5.198
  228    HA   LYS  29           HA       LYS  29  -3.730  -9.656   5.855
  229   1HB   LYS  29          HB2       LYS  29  -5.444  -9.143   7.752
  230   2HB   LYS  29          HB1       LYS  29  -3.723  -8.905   8.050
  231   1HG   LYS  29          HG2       LYS  29  -4.105  -6.499   7.315
  232   2HG   LYS  29          HG1       LYS  29  -5.824  -6.850   7.486
  233   1HD   LYS  29          HD2       LYS  29  -4.633  -5.773   9.433
  234   2HD   LYS  29          HD1       LYS  29  -5.641  -7.176   9.795
  235   1HE   LYS  29          HE2       LYS  29  -3.632  -8.579   9.831
  236   2HE   LYS  29          HE1       LYS  29  -2.640  -7.174   9.445
  237   1HZ   LYS  29          HZ1       LYS  29  -4.292  -7.481  11.901
  238   2HZ   LYS  29          HZ2       LYS  29  -3.280  -6.171  11.533
  239   3HZ   LYS  29          HZ3       LYS  29  -2.615  -7.705  11.812
  240    H    MET  30           HN       MET  30  -5.408 -10.805   4.972
  241    HA   MET  30           HA       MET  30  -7.384  -9.210   3.497
  242   1HB   MET  30          HB2       MET  30  -6.629 -12.138   3.231
  243   2HB   MET  30          HB1       MET  30  -7.747 -11.266   2.191
  244   1HG   MET  30          HG2       MET  30  -5.993  -9.865   1.364
  245   2HG   MET  30          HG1       MET  30  -4.850 -10.543   2.521
  246   1HE   MET  30          HE1       MET  30  -6.625 -12.913  -1.027
  247   2HE   MET  30          HE2       MET  30  -6.987 -11.216  -0.708
  248   3HE   MET  30          HE3       MET  30  -7.566 -12.463   0.396
  249    H    ARG  31           HN       ARG  31  -9.125  -8.824   4.633
  250    HA   ARG  31           HA       ARG  31 -10.146 -10.665   6.639
  251   1HB   ARG  31          HB2       ARG  31 -11.045  -7.930   5.710
  252   2HB   ARG  31          HB1       ARG  31 -11.854  -8.847   6.970
  253   1HG   ARG  31          HG2       ARG  31  -9.975  -8.683   8.411
  254   2HG   ARG  31          HG1       ARG  31  -8.966  -8.024   7.119
  255   1HD   ARG  31          HD2       ARG  31 -10.262  -6.012   7.048
  256   2HD   ARG  31          HD1       ARG  31 -11.451  -6.672   8.166
  257    HE   ARG  31           HE       ARG  31  -9.461  -6.722   9.787
  258   1HH1  ARG  31          HH11      ARG  31 -10.001  -4.348   7.292
  259   2HH1  ARG  31          HH12      ARG  31  -9.049  -3.116   8.058
  260   1HH2  ARG  31          HH21      ARG  31  -8.255  -5.088  10.864
  261   2HH2  ARG  31          HH22      ARG  31  -8.091  -3.520  10.117
  262    H    ASN  32           HN       ASN  32 -12.530 -11.040   6.683
  263    HA   ASN  32           HA       ASN  32 -14.467 -11.845   5.818
  264   1HB   ASN  32          HB2       ASN  32 -14.456  -9.394   5.047
  265   2HB   ASN  32          HB1       ASN  32 -14.013 -10.020   3.461
  266   1HD2  ASN  32          HD21      ASN  32 -15.921  -9.241   2.556
  267   2HD2  ASN  32          HD22      ASN  32 -17.448 -10.006   2.854
  268    H    ASN  33           HN       ASN  33 -12.599 -13.625   5.411
  269    HA   ASN  33           HA       ASN  33 -12.084 -15.504   4.235
  270   1HB   ASN  33          HB2       ASN  33 -14.558 -15.422   3.672
  271   2HB   ASN  33          HB1       ASN  33 -14.107 -14.644   2.160
  272   1HD2  ASN  33          HD21      ASN  33 -14.903 -16.310   0.899
  273   2HD2  ASN  33          HD22      ASN  33 -14.137 -17.864   0.813
  274    H    GLY  34           HN       GLY  34 -11.101 -12.646   3.534
  275   1HA   GLY  34          HA2       GLY  34  -9.148 -12.123   2.353
  276   2HA   GLY  34          HA1       GLY  34  -9.394 -13.538   1.343
  277    H    LYS  35           HN       LYS  35 -11.900 -11.193   2.002
  278    HA   LYS  35           HA       LYS  35 -11.853 -10.429  -0.835
  279   1HB   LYS  35          HB2       LYS  35 -14.085 -10.210   1.193
  280   2HB   LYS  35          HB1       LYS  35 -14.196  -9.725  -0.495
  281   1HG   LYS  35          HG2       LYS  35 -13.741 -12.506   0.551
  282   2HG   LYS  35          HG1       LYS  35 -15.212 -11.885  -0.208
  283   1HD   LYS  35          HD2       LYS  35 -14.086 -11.593  -2.302
  284   2HD   LYS  35          HD1       LYS  35 -12.526 -11.963  -1.574
  285   1HE   LYS  35          HE2       LYS  35 -13.298 -14.251  -1.126
  286   2HE   LYS  35          HE1       LYS  35 -14.838 -13.871  -1.898
  287   1HZ   LYS  35          HZ1       LYS  35 -13.269 -15.016  -3.385
  288   2HZ   LYS  35          HZ2       LYS  35 -12.193 -13.713  -3.238
  289   3HZ   LYS  35          HZ3       LYS  35 -13.707 -13.479  -3.964
  290    H    VAL  36           HN       VAL  36 -11.006  -9.287   2.182
  291    HA   VAL  36           HA       VAL  36 -10.929  -6.535   1.140
  292    HB   VAL  36           HB       VAL  36 -11.695  -7.423   3.920
  293   1HG1  VAL  36          HG11      VAL  36 -11.669  -5.051   4.574
  294   2HG1  VAL  36          HG12      VAL  36 -10.961  -4.635   3.013
  295   3HG1  VAL  36          HG13      VAL  36 -10.057  -5.631   4.154
  296   1HG2  VAL  36          HG21      VAL  36 -13.514  -7.286   2.314
  297   2HG2  VAL  36          HG22      VAL  36 -13.046  -5.634   1.904
  298   3HG2  VAL  36          HG23      VAL  36 -13.652  -6.005   3.519
  299    H    MET  37           HN       MET  37  -8.910  -5.802   1.018
  300    HA   MET  37           HA       MET  37  -6.855  -7.122   2.643
  301   1HB   MET  37          HB2       MET  37  -6.760  -5.583   0.055
  302   2HB   MET  37          HB1       MET  37  -5.305  -5.814   1.018
  303   1HG   MET  37          HG2       MET  37  -5.624  -8.249   0.868
  304   2HG   MET  37          HG1       MET  37  -7.033  -7.982  -0.157
  305   1HE   MET  37          HE1       MET  37  -3.145  -7.318   0.163
  306   2HE   MET  37          HE2       MET  37  -3.828  -5.748  -0.258
  307   3HE   MET  37          HE3       MET  37  -2.807  -6.603  -1.414
  308    H    ASP  38           HN       ASP  38  -6.514  -6.172   4.475
  309    HA   ASP  38           HA       ASP  38  -6.729  -3.292   4.722
  310   1HB   ASP  38          HB2       ASP  38  -7.591  -4.857   6.468
  311   2HB   ASP  38          HB1       ASP  38  -5.931  -5.341   6.791
  312    H    LEU  39           HN       LEU  39  -5.100  -2.172   4.011
  313    HA   LEU  39           HA       LEU  39  -2.421  -3.229   3.880
  314   1HB   LEU  39          HB2       LEU  39  -3.681  -0.592   3.132
  315   2HB   LEU  39          HB1       LEU  39  -1.944  -0.817   3.086
  316    HG   LEU  39           HG       LEU  39  -2.065  -2.337   1.306
  317   1HD1  LEU  39          HD11      LEU  39  -4.139  -3.232   0.388
  318   2HD1  LEU  39          HD12      LEU  39  -5.050  -2.440   1.674
  319   3HD1  LEU  39          HD13      LEU  39  -3.908  -3.726   2.067
  320   1HD2  LEU  39          HD21      LEU  39  -2.402  -0.008   0.685
  321   2HD2  LEU  39          HD22      LEU  39  -4.148  -0.217   0.833
  322   3HD2  LEU  39          HD23      LEU  39  -3.257  -1.094  -0.412
  323    H    VAL  40           HN       VAL  40  -1.229  -3.292   5.669
  324    HA   VAL  40           HA       VAL  40  -1.769  -1.278   7.751
  325    HB   VAL  40           HB       VAL  40  -0.394  -3.929   8.188
  326   1HG1  VAL  40          HG11      VAL  40  -0.074  -2.262   9.919
  327   2HG1  VAL  40          HG12      VAL  40  -1.080  -3.585  10.510
  328   3HG1  VAL  40          HG13      VAL  40  -1.819  -2.047  10.060
  329   1HG2  VAL  40          HG21      VAL  40  -3.341  -3.368   8.446
  330   2HG2  VAL  40          HG22      VAL  40  -2.522  -4.836   8.979
  331   3HG2  VAL  40          HG23      VAL  40  -2.578  -4.430   7.264
  332    H    HIS  41           HN       HIS  41  -0.170   0.227   7.881
  333    HA   HIS  41           HA       HIS  41   1.870   0.980   8.548
  334   1HB   HIS  41          HB2       HIS  41   2.148  -1.024   9.855
  335   2HB   HIS  41          HB1       HIS  41   2.573  -1.949   8.431
  336    HD1  HIS  41           HD1      HIS  41   4.766  -2.723   9.406
  337    HD2  HIS  41           HD2      HIS  41   4.481   1.421   9.089
  338    HE1  HIS  41           HE1      HIS  41   7.041  -1.835   9.994
  339    HE2  HIS  41           HE2      HIS  41   6.754   0.662  10.080
  340    H    THR  42           HN       THR  42   2.340   2.243   6.878
  341    HA   THR  42           HA       THR  42   3.906   1.135   4.666
  342    HB   THR  42           HB       THR  42   2.349   2.735   3.845
  343    HG1  THR  42           HG1      THR  42   4.425   4.557   4.089
  344   1HG2  THR  42          HG21      THR  42   3.241   4.565   6.079
  345   2HG2  THR  42          HG22      THR  42   1.683   3.744   5.961
  346   3HG2  THR  42          HG23      THR  42   2.108   5.002   4.799
  347    H    TYR  43           HN       TYR  43   6.036   0.918   5.061
  348    HA   TYR  43           HA       TYR  43   7.296   3.050   6.653
  349   1HB   TYR  43          HB2       TYR  43   7.170   0.480   7.472
  350   2HB   TYR  43          HB1       TYR  43   8.674   0.437   6.550
  351    HD1  TYR  43           HD1      TYR  43   7.178   3.112   8.706
  352    HD2  TYR  43           HD2      TYR  43  10.409   0.429   8.043
  353    HE1  TYR  43           HE1      TYR  43   8.389   4.103  10.605
  354    HE2  TYR  43           HE2      TYR  43  11.630   1.405   9.927
  355    HH   TYR  43           HH       TYR  43  10.155   3.476  12.192
  356    H    VAL  44           HN       VAL  44   9.011   4.022   5.845
  357    HA   VAL  44           HA       VAL  44  10.492   2.930   3.607
  358    HB   VAL  44           HB       VAL  44   8.598   3.895   2.424
  359   1HG1  VAL  44          HG11      VAL  44   9.283   6.479   3.827
  360   2HG1  VAL  44          HG12      VAL  44   7.846   5.493   4.099
  361   3HG1  VAL  44          HG13      VAL  44   8.086   6.292   2.545
  362   1HG2  VAL  44          HG21      VAL  44   9.774   5.495   0.976
  363   2HG2  VAL  44          HG22      VAL  44  10.760   4.080   1.350
  364   3HG2  VAL  44          HG23      VAL  44  11.065   5.610   2.172
  365    HA   PRO  45           HA       PRO  45  13.604   5.288   5.826
  366   1HB   PRO  45          HB2       PRO  45  15.173   4.862   3.355
  367   2HB   PRO  45          HB1       PRO  45  15.555   4.427   5.025
  368   1HG   PRO  45          HG2       PRO  45  14.866   2.563   3.238
  369   2HG   PRO  45          HG1       PRO  45  14.350   2.456   4.931
  370   1HD   PRO  45          HD2       PRO  45  12.795   3.322   2.526
  371   2HD   PRO  45          HD1       PRO  45  12.281   2.324   3.904
  372    H    SER  46           HN       SER  46  14.912   7.218   5.469
  373    HA   SER  46           HA       SER  46  13.459   9.370   4.602
  374   1HB   SER  46          HB2       SER  46  16.468   9.360   4.556
  375   2HB   SER  46          HB1       SER  46  15.381  10.670   5.019
  376    HG   SER  46           HG       SER  46  16.506   9.331   6.726
  377    H    PHE  47           HN       PHE  47  15.831   7.519   2.785
  378    HA   PHE  47           HA       PHE  47  16.341   9.201   0.659
  379   1HB   PHE  47          HB2       PHE  47  16.137   6.188   0.669
  380   2HB   PHE  47          HB1       PHE  47  16.864   7.136  -0.624
  381    HD1  PHE  47           HD1      PHE  47  17.339   5.643   2.609
  382    HD2  PHE  47           HD2      PHE  47  18.917   8.472  -0.148
  383    HE1  PHE  47           HE1      PHE  47  19.494   5.593   3.798
  384    HE2  PHE  47           HE2      PHE  47  21.074   8.425   1.029
  385    HZ   PHE  47           HZ       PHE  47  21.381   6.928   2.972
  386    H    LYS  48           HN       LYS  48  13.527   7.170   1.201
  387    HA   LYS  48           HA       LYS  48  12.593   7.881  -1.498
  388   1HB   LYS  48          HB2       LYS  48  12.340   5.283  -0.001
  389   2HB   LYS  48          HB1       LYS  48  11.363   5.662  -1.416
  390   1HG   LYS  48          HG2       LYS  48  13.192   5.636  -2.844
  391   2HG   LYS  48          HG1       LYS  48  14.343   5.873  -1.532
  392   1HD   LYS  48          HD2       LYS  48  12.721   3.373  -1.992
  393   2HD   LYS  48          HD1       LYS  48  14.411   3.590  -2.452
  394   1HE   LYS  48          HE2       LYS  48  14.693   4.227   0.078
  395   2HE   LYS  48          HE1       LYS  48  13.197   3.309   0.257
  396   1HZ   LYS  48          HZ1       LYS  48  15.173   1.935   0.582
  397   2HZ   LYS  48          HZ2       LYS  48  15.685   2.284  -0.999
  398   3HZ   LYS  48          HZ3       LYS  48  14.257   1.413  -0.743
  399    H    ARG  49           HN       ARG  49  12.096   8.712   1.522
  400    HA   ARG  49           HA       ARG  49   9.324   8.443   1.958
  401   1HB   ARG  49          HB2       ARG  49  11.321  10.517   2.863
  402   2HB   ARG  49          HB1       ARG  49   9.629  10.583   3.331
  403   1HG   ARG  49          HG2       ARG  49   9.834   8.409   4.414
  404   2HG   ARG  49          HG1       ARG  49  11.529   8.321   3.923
  405   1HD   ARG  49          HD2       ARG  49  11.194   9.065   6.278
  406   2HD   ARG  49          HD1       ARG  49  12.083  10.216   5.281
  407    HE   ARG  49           HE       ARG  49   9.224  10.675   5.448
  408   1HH1  ARG  49          HH11      ARG  49  12.357  11.367   6.867
  409   2HH1  ARG  49          HH12      ARG  49  11.858  12.887   7.536
  410   1HH2  ARG  49          HH21      ARG  49   8.568  12.674   6.343
  411   2HH2  ARG  49          HH22      ARG  49   9.717  13.643   7.222
  412    H    GLY  50           HN       GLY  50  11.216  11.053   0.481
  413   1HA   GLY  50          HA2       GLY  50   8.810  12.419  -0.388
  414   2HA   GLY  50          HA1       GLY  50  10.467  12.947  -0.648
  415    H    LEU  51           HN       LEU  51  10.452   9.805  -1.533
  416    HA   LEU  51           HA       LEU  51  10.458  10.550  -4.328
  417   1HB   LEU  51          HB2       LEU  51  11.265   8.108  -2.807
  418   2HB   LEU  51          HB1       LEU  51  11.001   7.999  -4.536
  419    HG   LEU  51           HG       LEU  51  13.027   9.737  -3.118
  420   1HD1  LEU  51          HD11      LEU  51  13.659   7.397  -3.261
  421   2HD1  LEU  51          HD12      LEU  51  14.651   8.375  -4.343
  422   3HD1  LEU  51          HD13      LEU  51  13.336   7.399  -4.995
  423   1HD2  LEU  51          HD21      LEU  51  12.117  10.949  -5.012
  424   2HD2  LEU  51          HD22      LEU  51  12.378   9.552  -6.058
  425   3HD2  LEU  51          HD23      LEU  51  13.758  10.405  -5.367
  426    H    GLY  52           HN       GLY  52   8.208   9.190  -2.135
  427   1HA   GLY  52          HA2       GLY  52   5.926   8.919  -2.936
  428   2HA   GLY  52          HA1       GLY  52   6.599   8.354  -4.458
  429    H    LEU  53           HN       LEU  53   8.600   6.843  -2.642
  430    HA   LEU  53           HA       LEU  53   7.674   4.379  -3.426
  431   1HB   LEU  53          HB2       LEU  53  10.000   5.090  -2.763
  432   2HB   LEU  53          HB1       LEU  53   9.511   4.874  -1.096
  433    HG   LEU  53           HG       LEU  53  10.833   2.988  -2.262
  434   1HD1  LEU  53          HD11      LEU  53   8.274   2.401  -0.796
  435   2HD1  LEU  53          HD12      LEU  53   9.846   2.740  -0.072
  436   3HD1  LEU  53          HD13      LEU  53   9.608   1.269  -1.018
  437   1HD2  LEU  53          HD21      LEU  53   8.076   2.494  -3.367
  438   2HD2  LEU  53          HD22      LEU  53   9.423   1.355  -3.428
  439   3HD2  LEU  53          HD23      LEU  53   9.524   2.888  -4.295
  440    H    ALA  54           HN       ALA  54   7.258   5.905  -0.243
  441    HA   ALA  54           HA       ALA  54   6.145   3.860   1.207
  442   1HB   ALA  54          HB1       ALA  54   5.213   6.727   1.178
  443   2HB   ALA  54          HB2       ALA  54   6.582   6.099   2.095
  444   3HB   ALA  54          HB3       ALA  54   4.946   5.558   2.472
  445    H    SER  55           HN       SER  55   4.397   6.092  -0.927
  446    HA   SER  55           HA       SER  55   1.899   4.767  -0.702
  447   1HB   SER  55          HB2       SER  55   1.175   6.144  -2.579
  448   2HB   SER  55          HB1       SER  55   2.092   7.124  -1.435
  449    HG   SER  55           HG       SER  55   3.930   6.773  -2.851
  450    H    HIS  56           HN       HIS  56   4.674   4.340  -2.802
  451    HA   HIS  56           HA       HIS  56   3.407   2.827  -4.818
  452   1HB   HIS  56          HB2       HIS  56   6.263   2.973  -3.872
  453   2HB   HIS  56          HB1       HIS  56   5.777   1.835  -5.123
  454    HD1  HIS  56           HD1      HIS  56   6.516   2.755  -7.292
  455    HD2  HIS  56           HD2      HIS  56   4.961   5.713  -4.804
  456    HE1  HIS  56           HE1      HIS  56   6.576   4.884  -8.636
  457    HE2  HIS  56           HE2      HIS  56   5.681   6.672  -7.102
  458    H    LEU  57           HN       LEU  57   4.615   2.025  -1.650
  459    HA   LEU  57           HA       LEU  57   4.294  -0.786  -1.835
  460   1HB   LEU  57          HB2       LEU  57   4.106   1.031   0.578
  461   2HB   LEU  57          HB1       LEU  57   4.261  -0.714   0.629
  462    HG   LEU  57           HG       LEU  57   6.339   1.076  -0.617
  463   1HD1  LEU  57          HD11      LEU  57   6.082   1.631   1.752
  464   2HD1  LEU  57          HD12      LEU  57   7.610   0.806   1.442
  465   3HD1  LEU  57          HD13      LEU  57   6.264  -0.073   2.168
  466   1HD2  LEU  57          HD21      LEU  57   7.765  -0.883  -0.363
  467   2HD2  LEU  57          HD22      LEU  57   6.349  -1.259  -1.344
  468   3HD2  LEU  57          HD23      LEU  57   6.420  -1.782   0.339
  469    H    CYS  58           HN       CYS  58   2.183   1.830  -0.681
  470    HA   CYS  58           HA       CYS  58  -0.053   0.220  -0.100
  471   1HB   CYS  58          HB2       CYS  58   0.175   2.515   0.723
  472   2HB   CYS  58          HB1       CYS  58   0.037   3.148  -0.919
  473    HG   CYS  58           HG       CYS  58  -2.605   1.514  -0.823
  474    H    VAL  59           HN       VAL  59   0.928   1.882  -3.054
  475    HA   VAL  59           HA       VAL  59  -1.371   1.220  -4.566
  476    HB   VAL  59           HB       VAL  59   1.427   1.956  -5.434
  477   1HG1  VAL  59          HG11      VAL  59  -1.058   1.714  -7.134
  478   2HG1  VAL  59          HG12      VAL  59   0.359   0.667  -7.213
  479   3HG1  VAL  59          HG13      VAL  59   0.493   2.367  -7.662
  480   1HG2  VAL  59          HG21      VAL  59  -1.136   3.543  -5.350
  481   2HG2  VAL  59          HG22      VAL  59   0.417   4.124  -5.948
  482   3HG2  VAL  59          HG23      VAL  59   0.227   3.708  -4.244
  483    H    ALA  60           HN       ALA  60   1.670  -0.443  -3.952
  484    HA   ALA  60           HA       ALA  60   1.413  -2.501  -5.837
  485   1HB   ALA  60          HB1       ALA  60   3.463  -2.108  -4.555
  486   2HB   ALA  60          HB2       ALA  60   2.923  -3.781  -4.414
  487   3HB   ALA  60          HB3       ALA  60   2.648  -2.650  -3.088
  488    H    ALA  61           HN       ALA  61   0.015  -2.095  -2.604
  489    HA   ALA  61           HA       ALA  61  -1.212  -4.665  -2.571
  490   1HB   ALA  61          HB1       ALA  61  -1.929  -2.183  -1.027
  491   2HB   ALA  61          HB2       ALA  61  -0.752  -3.398  -0.530
  492   3HB   ALA  61          HB3       ALA  61  -2.458  -3.825  -0.667
  493    H    PHE  62           HN       PHE  62  -2.223  -1.417  -3.559
  494    HA   PHE  62           HA       PHE  62  -4.881  -1.954  -4.204
  495   1HB   PHE  62          HB2       PHE  62  -2.883  -0.052  -5.414
  496   2HB   PHE  62          HB1       PHE  62  -4.526  -0.179  -6.029
  497    HD1  PHE  62           HD1      PHE  62  -6.169  -0.350  -3.662
  498    HD2  PHE  62           HD2      PHE  62  -2.649   1.953  -4.330
  499    HE1  PHE  62           HE1      PHE  62  -6.896   1.245  -1.918
  500    HE2  PHE  62           HE2      PHE  62  -3.378   3.558  -2.606
  501    HZ   PHE  62           HZ       PHE  62  -5.584   3.277  -1.514
  502    H    GLU  63           HN       GLU  63  -2.011  -2.120  -6.273
  503    HA   GLU  63           HA       GLU  63  -3.172  -3.066  -8.603
  504   1HB   GLU  63          HB2       GLU  63  -0.438  -3.582  -7.430
  505   2HB   GLU  63          HB1       GLU  63  -0.896  -4.063  -9.057
  506   1HG   GLU  63          HG2       GLU  63  -1.042  -1.228  -8.077
  507   2HG   GLU  63          HG1       GLU  63   0.379  -1.917  -8.863
  508    H    HIS  64           HN       HIS  64  -2.230  -4.803  -5.717
  509    HA   HIS  64           HA       HIS  64  -2.445  -7.413  -6.856
  510   1HB   HIS  64          HB2       HIS  64  -1.085  -6.902  -4.845
  511   2HB   HIS  64          HB1       HIS  64  -2.564  -6.575  -3.951
  512    HD1  HIS  64           HD1      HIS  64  -3.749  -8.542  -2.922
  513    HD2  HIS  64           HD2      HIS  64  -0.771  -9.674  -5.593
  514    HE1  HIS  64           HE1      HIS  64  -3.530 -11.034  -2.674
  515    HE2  HIS  64           HE2      HIS  64  -1.871 -11.718  -4.448
  516    H    ALA  65           HN       ALA  65  -4.541  -5.461  -4.757
  517    HA   ALA  65           HA       ALA  65  -6.553  -7.465  -4.581
  518   1HB   ALA  65          HB1       ALA  65  -7.891  -5.769  -3.491
  519   2HB   ALA  65          HB2       ALA  65  -6.751  -4.523  -4.001
  520   3HB   ALA  65          HB3       ALA  65  -6.246  -5.765  -2.855
  521    H    SER  66           HN       SER  66  -6.376  -4.374  -6.372
  522    HA   SER  66           HA       SER  66  -8.846  -4.471  -7.601
  523   1HB   SER  66          HB2       SER  66  -7.794  -3.106  -9.435
  524   2HB   SER  66          HB1       SER  66  -7.469  -2.512  -7.806
  525    HG   SER  66           HG       SER  66  -5.415  -3.233  -7.927
  526    H    SER  67           HN       SER  67  -5.849  -6.024  -8.724
  527    HA   SER  67           HA       SER  67  -6.928  -6.962 -11.168
  528   1HB   SER  67          HB2       SER  67  -4.579  -8.048  -9.603
  529   2HB   SER  67          HB1       SER  67  -4.915  -8.337 -11.311
  530    HG   SER  67           HG       SER  67  -3.852  -6.111 -10.047
  531    H    HIS  68           HN       HIS  68  -6.955  -8.233  -7.912
  532    HA   HIS  68           HA       HIS  68  -7.983 -10.807  -8.872
  533   1HB   HIS  68          HB2       HIS  68  -6.128 -10.653  -7.136
  534   2HB   HIS  68          HB1       HIS  68  -7.341 -10.042  -6.022
  535    HD1  HIS  68           HD1      HIS  68  -6.255 -13.171  -7.774
  536    HD2  HIS  68           HD2      HIS  68  -9.089 -11.961  -4.985
  537    HE1  HIS  68           HE1      HIS  68  -7.197 -15.287  -6.798
  538    HE2  HIS  68           HE2      HIS  68  -9.060 -14.525  -5.284
  539    H    SER  69           HN       SER  69  -9.259  -7.938  -8.363
  540    HA   SER  69           HA       SER  69 -11.321  -7.101  -7.917
  541   1HB   SER  69          HB2       SER  69 -12.184 -10.006  -7.947
  542   2HB   SER  69          HB1       SER  69 -13.252  -8.608  -8.070
  543    HG   SER  69           HG       SER  69 -11.283  -8.440  -9.906
  544    H    ILE  70           HN       ILE  70  -9.695  -7.216  -5.785
  545    HA   ILE  70           HA       ILE  70 -11.321  -8.239  -3.558
  546    HB   ILE  70           HB       ILE  70  -8.418  -7.388  -3.495
  547   1HG1  ILE  70          HG12      ILE  70  -9.571 -10.179  -3.615
  548   2HG1  ILE  70          HG11      ILE  70  -8.738  -9.365  -4.936
  549   1HG2  ILE  70          HG21      ILE  70  -9.512  -7.248  -1.328
  550   2HG2  ILE  70          HG22      ILE  70  -8.348  -8.572  -1.354
  551   3HG2  ILE  70          HG23      ILE  70 -10.073  -8.912  -1.490
  552   1HD1  ILE  70          HD11      ILE  70  -7.289 -10.957  -3.796
  553   2HD1  ILE  70          HD12      ILE  70  -7.526 -10.094  -2.276
  554   3HD1  ILE  70          HD13      ILE  70  -6.693  -9.305  -3.615
  555    H    SER  71           HN       SER  71 -11.719  -6.870  -1.752
  556    HA   SER  71           HA       SER  71 -11.705  -4.015  -2.364
  557   1HB   SER  71          HB2       SER  71 -13.752  -5.202  -1.451
  558   2HB   SER  71          HB1       SER  71 -12.865  -5.444   0.051
  559    HG   SER  71           HG       SER  71 -12.871  -2.839  -0.841
  560    H    ILE  72           HN       ILE  72 -10.968  -2.531  -0.508
  561    HA   ILE  72           HA       ILE  72  -8.695  -3.714   0.938
  562    HB   ILE  72           HB       ILE  72  -8.544  -1.377  -0.991
  563   1HG1  ILE  72          HG12      ILE  72  -7.207  -4.073  -0.873
  564   2HG1  ILE  72          HG11      ILE  72  -8.231  -3.421  -2.151
  565   1HG2  ILE  72          HG21      ILE  72  -6.192  -1.117  -0.318
  566   2HG2  ILE  72          HG22      ILE  72  -6.475  -2.243   1.011
  567   3HG2  ILE  72          HG23      ILE  72  -7.333  -0.701   0.961
  568   1HD1  ILE  72          HD11      ILE  72  -6.510  -1.797  -2.718
  569   2HD1  ILE  72          HD12      ILE  72  -5.900  -3.449  -2.819
  570   3HD1  ILE  72          HD13      ILE  72  -5.477  -2.435  -1.437
  571    H    ILE  73           HN       ILE  73  -8.060  -2.607   2.765
  572    HA   ILE  73           HA       ILE  73  -9.408  -0.084   3.492
  573    HB   ILE  73           HB       ILE  73  -9.028  -2.526   5.254
  574   1HG1  ILE  73          HG12      ILE  73 -11.089  -2.469   3.880
  575   2HG1  ILE  73          HG11      ILE  73 -11.419  -2.421   5.608
  576   1HG2  ILE  73          HG21      ILE  73  -8.300  -0.597   6.503
  577   2HG2  ILE  73          HG22      ILE  73  -9.865  -1.144   7.116
  578   3HG2  ILE  73          HG23      ILE  73  -9.778   0.275   6.074
  579   1HD1  ILE  73          HD11      ILE  73 -11.462  -0.060   3.746
  580   2HD1  ILE  73          HD12      ILE  73 -11.831  -0.032   5.470
  581   3HD1  ILE  73          HD13      ILE  73 -12.871  -0.925   4.361
  582    HA   PRO  74           HA       PRO  74  -4.986   0.418   4.050
  583   1HB   PRO  74          HB2       PRO  74  -5.119   3.184   3.631
  584   2HB   PRO  74          HB1       PRO  74  -4.838   1.948   2.405
  585   1HG   PRO  74          HG2       PRO  74  -7.101   3.620   2.631
  586   2HG   PRO  74          HG1       PRO  74  -6.913   2.227   1.556
  587   1HD   PRO  74          HD2       PRO  74  -8.294   2.420   4.186
  588   2HD   PRO  74          HD1       PRO  74  -8.664   1.391   2.784
  589    H    SER  75           HN       SER  75  -4.658   0.055   6.245
  590    HA   SER  75           HA       SER  75  -5.095   2.126   8.200
  591   1HB   SER  75          HB2       SER  75  -4.867  -0.298   8.809
  592   2HB   SER  75          HB1       SER  75  -3.177  -0.226   8.312
  593    HG   SER  75           HG       SER  75  -4.449   1.024  10.493
  594    H    CYS  76           HN       CYS  76  -2.744   1.252   5.864
  595    HA   CYS  76           HA       CYS  76  -0.695   3.087   6.428
  596   1HB   CYS  76          HB2       CYS  76  -1.566   2.245   3.663
  597   2HB   CYS  76          HB1       CYS  76   0.018   2.804   4.172
  598    HG   CYS  76           HG       CYS  76   0.942   0.448   4.467
  599    H    SER  77           HN       SER  77  -3.570   4.019   6.562
  600    HA   SER  77           HA       SER  77  -4.461   5.565   4.507
  601   1HB   SER  77          HB2       SER  77  -5.753   6.775   6.306
  602   2HB   SER  77          HB1       SER  77  -5.877   5.015   6.335
  603    HG   SER  77           HG       SER  77  -5.409   5.450   8.395
  604    H    TYR  78           HN       TYR  78  -1.670   6.384   6.386
  605    HA   TYR  78           HA       TYR  78  -1.586   9.144   5.945
  606   1HB   TYR  78          HB2       TYR  78   0.423   8.621   6.885
  607   2HB   TYR  78          HB1       TYR  78   0.384   6.981   6.250
  608    HD1  TYR  78           HD1      TYR  78   1.284  10.479   5.444
  609    HD2  TYR  78           HD2      TYR  78   1.650   6.394   4.308
  610    HE1  TYR  78           HE1      TYR  78   3.055  11.098   3.856
  611    HE2  TYR  78           HE2      TYR  78   3.418   6.997   2.711
  612    HH   TYR  78           HH       TYR  78   4.143   8.992   1.430
  613    H    VAL  79           HN       VAL  79  -0.856   6.434   3.818
  614    HA   VAL  79           HA       VAL  79  -0.479   7.896   1.420
  615    HB   VAL  79           HB       VAL  79  -1.419   5.045   1.836
  616   1HG1  VAL  79          HG11      VAL  79  -1.996   5.863  -0.386
  617   2HG1  VAL  79          HG12      VAL  79  -0.715   4.655  -0.469
  618   3HG1  VAL  79          HG13      VAL  79  -0.325   6.365  -0.646
  619   1HG2  VAL  79          HG21      VAL  79   0.904   4.429   1.370
  620   2HG2  VAL  79          HG22      VAL  79   0.768   5.436   2.812
  621   3HG2  VAL  79          HG23      VAL  79   1.340   6.137   1.297
  622    H    SER  80           HN       SER  80  -3.225   6.177   2.809
  623    HA   SER  80           HA       SER  80  -5.008   6.458   0.690
  624   1HB   SER  80          HB2       SER  80  -5.324   4.944   2.618
  625   2HB   SER  80          HB1       SER  80  -5.652   6.338   3.643
  626    HG   SER  80           HG       SER  80  -7.204   6.317   1.409
  627    H    ASP  81           HN       ASP  81  -4.356   8.637   3.366
  628    HA   ASP  81           HA       ASP  81  -6.636  10.299   2.885
  629   1HB   ASP  81          HB2       ASP  81  -5.852  10.258   5.114
  630   2HB   ASP  81          HB1       ASP  81  -4.184  10.538   4.632
  631    H    THR  82           HN       THR  82  -3.118  10.671   2.207
  632    HA   THR  82           HA       THR  82  -3.682  13.189   0.870
  633    HB   THR  82           HB       THR  82  -1.710  13.115   2.297
  634    HG1  THR  82           HG1      THR  82  -1.395  14.591   0.738
  635   1HG2  THR  82          HG21      THR  82  -0.638  11.080   0.350
  636   2HG2  THR  82          HG22      THR  82  -1.047  10.797   2.042
  637   3HG2  THR  82          HG23      THR  82   0.295  11.863   1.626
  638    H    PHE  83           HN       PHE  83  -2.402   9.994  -0.034
  639    HA   PHE  83           HA       PHE  83  -1.855  10.790  -2.720
  640   1HB   PHE  83          HB2       PHE  83  -1.895   8.090  -1.403
  641   2HB   PHE  83          HB1       PHE  83  -1.396   8.376  -3.065
  642    HD1  PHE  83           HD1      PHE  83  -0.009   7.657  -0.098
  643    HD2  PHE  83           HD2      PHE  83   0.173  10.731  -3.044
  644    HE1  PHE  83           HE1      PHE  83   2.233   8.295   0.697
  645    HE2  PHE  83           HE2      PHE  83   2.423  11.351  -2.266
  646    HZ   PHE  83           HZ       PHE  83   3.454  10.138  -0.391
  647    H    LEU  84           HN       LEU  84  -4.576   9.194  -1.194
  648    HA   LEU  84           HA       LEU  84  -5.614   8.238  -3.669
  649   1HB   LEU  84          HB2       LEU  84  -6.648   8.397  -0.895
  650   2HB   LEU  84          HB1       LEU  84  -7.760   8.047  -2.206
  651    HG   LEU  84           HG       LEU  84  -5.234   6.489  -1.658
  652   1HD1  LEU  84          HD11      LEU  84  -6.806   6.168   0.147
  653   2HD1  LEU  84          HD12      LEU  84  -6.707   4.721  -0.856
  654   3HD1  LEU  84          HD13      LEU  84  -8.087   5.809  -1.010
  655   1HD2  LEU  84          HD21      LEU  84  -6.159   4.883  -3.231
  656   2HD2  LEU  84          HD22      LEU  84  -5.956   6.461  -3.992
  657   3HD2  LEU  84          HD23      LEU  84  -7.558   5.925  -3.490
  658    HA   PRO  85           HA       PRO  85  -8.202  12.369  -3.678
  659   1HB   PRO  85          HB2       PRO  85  -6.121  14.073  -2.447
  660   2HB   PRO  85          HB1       PRO  85  -7.877  14.174  -2.308
  661   1HG   PRO  85          HG2       PRO  85  -6.359  13.290  -0.295
  662   2HG   PRO  85          HG1       PRO  85  -7.963  12.615  -0.622
  663   1HD   PRO  85          HD2       PRO  85  -5.263  11.468  -1.207
  664   2HD   PRO  85          HD1       PRO  85  -6.760  10.655  -0.702
  665    H    ARG  86           HN       ARG  86  -4.732  11.969  -3.681
  666    HA   ARG  86           HA       ARG  86  -4.129  13.664  -5.885
  667   1HB   ARG  86          HB2       ARG  86  -2.475  12.836  -4.202
  668   2HB   ARG  86          HB1       ARG  86  -2.632  11.225  -4.890
  669   1HG   ARG  86          HG2       ARG  86  -1.793  12.102  -7.041
  670   2HG   ARG  86          HG1       ARG  86  -1.530  13.666  -6.261
  671   1HD   ARG  86          HD2       ARG  86  -0.047  12.553  -4.621
  672   2HD   ARG  86          HD1       ARG  86  -0.260  11.038  -5.495
  673    HE   ARG  86           HE       ARG  86   0.671  13.107  -7.215
  674   1HH1  ARG  86          HH11      ARG  86   1.715  10.818  -4.774
  675   2HH1  ARG  86          HH12      ARG  86   3.369  10.811  -5.301
  676   1HH2  ARG  86          HH21      ARG  86   2.855  13.112  -7.891
  677   2HH2  ARG  86          HH22      ARG  86   4.012  12.127  -7.057
  678    H    ASN  87           HN       ASN  87  -4.451  10.148  -5.585
  679    HA   ASN  87           HA       ASN  87  -5.167   9.991  -8.441
  680   1HB   ASN  87          HB2       ASN  87  -3.568   7.974  -6.839
  681   2HB   ASN  87          HB1       ASN  87  -4.022   7.818  -8.534
  682   1HD2  ASN  87          HD21      ASN  87  -1.440   8.115  -6.915
  683   2HD2  ASN  87          HD22      ASN  87  -0.531   9.282  -7.810
  684    HA   PRO  88           HA       PRO  88  -8.516   8.339  -5.782
  685   1HB   PRO  88          HB2       PRO  88 -10.443   9.677  -7.394
  686   2HB   PRO  88          HB1       PRO  88  -9.854  10.150  -5.803
  687   1HG   PRO  88          HG2       PRO  88  -9.411  11.552  -8.153
  688   2HG   PRO  88          HG1       PRO  88  -8.468  11.722  -6.663
  689   1HD   PRO  88          HD2       PRO  88  -7.841  10.173  -9.138
  690   2HD   PRO  88          HD1       PRO  88  -6.760  11.094  -8.071
  691    H    SER  89           HN       SER  89  -7.430   6.653  -7.729
  692    HA   SER  89           HA       SER  89  -9.726   5.880  -9.407
  693   1HB   SER  89          HB2       SER  89  -6.843   5.022  -9.734
  694   2HB   SER  89          HB1       SER  89  -8.150   4.863 -10.909
  695    HG   SER  89           HG       SER  89  -8.219   7.153 -11.037
  696    H    TRP  90           HN       TRP  90  -8.654   5.159  -6.496
  697    HA   TRP  90           HA       TRP  90  -8.895   2.238  -6.801
  698   1HB   TRP  90          HB2       TRP  90  -7.635   3.709  -4.491
  699   2HB   TRP  90          HB1       TRP  90  -7.552   1.986  -4.839
  700    HD1  TRP  90           HD1      TRP  90  -5.647   5.098  -5.293
  701    HE1  TRP  90           HE1      TRP  90  -3.703   4.754  -6.935
  702    HE3  TRP  90           HE3      TRP  90  -7.041   0.596  -7.278
  703    HZ2  TRP  90           HZ2      TRP  90  -2.865   2.838  -8.826
  704    HZ3  TRP  90           HZ3      TRP  90  -5.611  -0.423  -9.002
  705    HH2  TRP  90           HH2      TRP  90  -3.569   0.676  -9.759
  706    H    LYS  91           HN       LYS  91 -10.901   4.548  -6.330
  707    HA   LYS  91           HA       LYS  91 -12.128   4.231  -3.851
  708   1HB   LYS  91          HB2       LYS  91 -13.170   5.057  -6.538
  709   2HB   LYS  91          HB1       LYS  91 -14.274   4.849  -5.186
  710   1HG   LYS  91          HG2       LYS  91 -12.903   6.484  -3.900
  711   2HG   LYS  91          HG1       LYS  91 -11.961   6.770  -5.367
  712   1HD   LYS  91          HD2       LYS  91 -13.846   7.637  -6.516
  713   2HD   LYS  91          HD1       LYS  91 -14.955   7.061  -5.272
  714   1HE   LYS  91          HE2       LYS  91 -14.673   9.445  -5.053
  715   2HE   LYS  91          HE1       LYS  91 -13.936   8.634  -3.674
  716   1HZ   LYS  91          HZ1       LYS  91 -12.533  10.403  -4.499
  717   2HZ   LYS  91          HZ2       LYS  91 -12.492   9.699  -6.041
  718   3HZ   LYS  91          HZ3       LYS  91 -11.776   8.908  -4.725
  719    HA   PRO  92           HA       PRO  92 -14.827   0.671  -5.996
  720   1HB   PRO  92          HB2       PRO  92 -13.199  -0.851  -7.646
  721   2HB   PRO  92          HB1       PRO  92 -14.440   0.281  -8.190
  722   1HG   PRO  92          HG2       PRO  92 -11.492   0.674  -7.925
  723   2HG   PRO  92          HG1       PRO  92 -12.595   1.244  -9.195
  724   1HD   PRO  92          HD2       PRO  92 -11.719   2.904  -7.305
  725   2HD   PRO  92          HD1       PRO  92 -13.394   2.996  -7.884
  726    H    LEU  93           HN       LEU  93 -11.674   0.780  -4.753
  727    HA   LEU  93           HA       LEU  93 -11.763  -2.024  -3.903
  728   1HB   LEU  93          HB2       LEU  93  -9.497  -0.060  -3.595
  729   2HB   LEU  93          HB1       LEU  93  -9.430  -1.802  -3.392
  730    HG   LEU  93           HG       LEU  93  -9.971  -0.374  -5.987
  731   1HD1  LEU  93          HD11      LEU  93  -7.497  -1.809  -5.014
  732   2HD1  LEU  93          HD12      LEU  93  -7.669  -0.067  -5.221
  733   3HD1  LEU  93          HD13      LEU  93  -7.731  -1.132  -6.625
  734   1HD2  LEU  93          HD21      LEU  93  -9.550  -3.300  -5.366
  735   2HD2  LEU  93          HD22      LEU  93  -9.672  -2.606  -6.982
  736   3HD2  LEU  93          HD23      LEU  93 -11.057  -2.546  -5.893
  737    H    ILE  94           HN       ILE  94 -11.180   1.225  -2.563
  738    HA   ILE  94           HA       ILE  94 -11.600   0.068   0.112
  739    HB   ILE  94           HB       ILE  94 -10.262   1.801   1.030
  740   1HG1  ILE  94          HG12      ILE  94  -9.770   3.122  -1.610
  741   2HG1  ILE  94          HG11      ILE  94 -11.245   3.512  -0.724
  742   1HG2  ILE  94          HG21      ILE  94  -9.018   0.833  -1.536
  743   2HG2  ILE  94          HG22      ILE  94  -8.956   0.041   0.039
  744   3HG2  ILE  94          HG23      ILE  94  -8.133   1.582  -0.209
  745   1HD1  ILE  94          HD11      ILE  94  -9.925   4.154   1.208
  746   2HD1  ILE  94          HD12      ILE  94  -9.466   5.081  -0.222
  747   3HD1  ILE  94          HD13      ILE  94  -8.446   3.753   0.335
  748    H    HIS  95           HN       HIS  95 -11.967   2.442   1.500
  749    HA   HIS  95           HA       HIS  95 -14.600   3.267   1.241
  750   1HB   HIS  95          HB2       HIS  95 -12.160   4.746   2.261
  751   2HB   HIS  95          HB1       HIS  95 -13.798   5.377   2.416
  752    HD1  HIS  95           HD1      HIS  95 -11.721   4.519   4.738
  753    HD2  HIS  95           HD2      HIS  95 -15.094   2.434   3.464
  754    HE1  HIS  95           HE1      HIS  95 -12.410   3.083   6.682
  755    HE2  HIS  95           HE2      HIS  95 -14.544   1.962   5.952
  756    H    SER  96           HN       SER  96 -12.043   5.573   0.607
  757    HA   SER  96           HA       SER  96 -12.349   5.870  -2.184
  758   1HB   SER  96          HB2       SER  96 -13.682   7.962  -0.433
  759   2HB   SER  96          HB1       SER  96 -13.234   8.240  -2.115
  760    HG   SER  96           HG       SER  96 -14.756   5.971  -1.596
  761    H    GLU  97           HN       GLU  97 -11.906   7.924   0.631
  762    HA   GLU  97           HA       GLU  97  -9.042   8.110   0.075
  763   1HB   GLU  97          HB2       GLU  97 -10.240  10.258  -0.115
  764   2HB   GLU  97          HB1       GLU  97 -10.904  10.046   1.501
  765   1HG   GLU  97          HG2       GLU  97  -8.498  10.081   2.312
  766   2HG   GLU  97          HG1       GLU  97  -8.080  10.643   0.691
  767    H    VAL  98           HN       VAL  98  -8.731   9.126   2.894
  768    HA   VAL  98           HA       VAL  98  -8.188   6.683   4.105
  769    HB   VAL  98           HB       VAL  98  -6.989   8.544   4.904
  770   1HG1  VAL  98          HG11      VAL  98  -9.606   9.815   5.686
  771   2HG1  VAL  98          HG12      VAL  98  -8.583  10.292   4.331
  772   3HG1  VAL  98          HG13      VAL  98  -8.002  10.481   5.985
  773   1HG2  VAL  98          HG21      VAL  98  -7.422   8.547   7.336
  774   2HG2  VAL  98          HG22      VAL  98  -7.419   6.926   6.641
  775   3HG2  VAL  98          HG23      VAL  98  -8.945   7.710   7.040
  776    H    PHE  99           HN       PHE  99 -10.962   8.861   4.755
  777    HA   PHE  99           HA       PHE  99 -12.416   6.547   5.771
  778   1HB   PHE  99          HB2       PHE  99 -11.236   7.590   7.709
  779   2HB   PHE  99          HB1       PHE  99 -12.132   9.073   7.406
  780    HD1  PHE  99           HD1      PHE  99 -12.654   5.456   8.087
  781    HD2  PHE  99           HD2      PHE  99 -14.148   9.418   8.481
  782    HE1  PHE  99           HE1      PHE  99 -14.475   4.621   9.518
  783    HE2  PHE  99           HE2      PHE  99 -15.973   8.595   9.910
  784    HZ   PHE  99           HZ       PHE  99 -16.137   6.194  10.431
  785    H    LYS 100           HN       LYS 100 -12.440   9.927   4.755
  786    HA   LYS 100           HA       LYS 100 -15.287  10.144   4.862
  787   1HB   LYS 100          HB2       LYS 100 -15.004  12.286   3.756
  788   2HB   LYS 100          HB1       LYS 100 -13.830  12.113   5.047
  789   1HG   LYS 100          HG2       LYS 100 -12.510  13.002   3.422
  790   2HG   LYS 100          HG1       LYS 100 -12.283  11.286   3.085
  791   1HD   LYS 100          HD2       LYS 100 -13.950  11.379   1.326
  792   2HD   LYS 100          HD1       LYS 100 -14.283  13.072   1.698
  793   1HE   LYS 100          HE2       LYS 100 -11.657  11.962   0.713
  794   2HE   LYS 100          HE1       LYS 100 -12.841  12.823  -0.267
  795   1HZ   LYS 100          HZ1       LYS 100 -11.413  13.959   2.077
  796   2HZ   LYS 100          HZ2       LYS 100 -12.511  14.784   1.085
  797   3HZ   LYS 100          HZ3       LYS 100 -11.027  14.257   0.457
  798    H    SER 101           HN       SER 101 -16.522  10.815   2.828
  799    HA   SER 101           HA       SER 101 -17.435  10.287   0.829
  800   1HB   SER 101          HB2       SER 101 -15.114  10.877   0.011
  801   2HB   SER 101          HB1       SER 101 -14.739   9.154   0.042
  802    HG   SER 101           HG       SER 101 -16.961   9.293  -1.293
  803    H    SER 102           HN       SER 102 -17.435   8.483   3.079
  804    HA   SER 102           HA       SER 102 -18.657   6.264   1.785
  805   1HB   SER 102          HB2       SER 102 -17.214   4.530   2.981
  806   2HB   SER 102          HB1       SER 102 -16.485   5.319   1.585
  807    HG   SER 102           HG       SER 102 -15.628   6.839   3.293
  808    H    ILE 103           HN       ILE 103 -17.142   7.133   4.901
  809    HA   ILE 103           HA       ILE 103 -19.792   6.767   6.129
  810    HB   ILE 103           HB       ILE 103 -17.124   6.572   7.545
  811   1HG1  ILE 103          HG12      ILE 103 -19.014   4.369   6.672
  812   2HG1  ILE 103          HG11      ILE 103 -17.427   4.694   5.983
  813   1HG2  ILE 103          HG21      ILE 103 -18.465   5.664   9.395
  814   2HG2  ILE 103          HG22      ILE 103 -19.932   5.953   8.460
  815   3HG2  ILE 103          HG23      ILE 103 -18.937   7.312   8.982
  816   1HD1  ILE 103          HD11      ILE 103 -17.977   3.814   8.810
  817   2HD1  ILE 103          HD12      ILE 103 -16.386   4.133   8.118
  818   3HD1  ILE 103          HD13      ILE 103 -17.365   2.801   7.501
  Start of MODEL   19
    1   1H    MET   1           HT1      MET   1  20.224   5.434 -11.072
    2   2H    MET   1           HT2      MET   1  19.677   5.495 -12.673
    3   3H    MET   1           HT3      MET   1  18.655   4.914 -11.451
    4    HA   MET   1           HA       MET   1  19.683   7.687 -11.677
    5   1HB   MET   1          HB2       MET   1  17.012   6.442 -12.309
    6   2HB   MET   1          HB1       MET   1  17.164   8.152 -11.941
    7   1HG   MET   1          HG2       MET   1  17.129   7.912 -14.297
    8   2HG   MET   1          HG1       MET   1  18.771   8.348 -13.827
    9   1HE   MET   1          HE1       MET   1  19.590   7.608 -16.274
   10   2HE   MET   1          HE2       MET   1  17.928   7.176 -16.677
   11   3HE   MET   1          HE3       MET   1  19.235   6.028 -16.971
   12    H    ALA   2           HN       ALA   2  18.400   9.161 -10.228
   13    HA   ALA   2           HA       ALA   2  18.302   8.141  -7.556
   14   1HB   ALA   2          HB1       ALA   2  17.569  10.382  -6.938
   15   2HB   ALA   2          HB2       ALA   2  17.303  10.780  -8.636
   16   3HB   ALA   2          HB3       ALA   2  18.936  10.471  -8.047
   17    H    THR   3           HN       THR   3  15.873   9.380  -9.843
   18    HA   THR   3           HA       THR   3  13.704   8.156  -8.379
   19    HB   THR   3           HB       THR   3  13.629   9.260 -11.198
   20    HG1  THR   3           HG1      THR   3  12.979  11.215 -10.217
   21   1HG2  THR   3          HG21      THR   3  11.698   7.889 -10.602
   22   2HG2  THR   3          HG22      THR   3  11.234   9.589 -10.700
   23   3HG2  THR   3          HG23      THR   3  11.469   8.828  -9.128
   24    H    GLU   4           HN       GLU   4  14.669   6.035  -8.352
   25    HA   GLU   4           HA       GLU   4  14.824   4.611 -10.889
   26   1HB   GLU   4          HB2       GLU   4  16.567   4.430  -9.028
   27   2HB   GLU   4          HB1       GLU   4  15.368   3.518  -8.126
   28   1HG   GLU   4          HG2       GLU   4  16.826   1.970  -9.169
   29   2HG   GLU   4          HG1       GLU   4  15.281   1.898 -10.018
   30    HA   PRO   5           HA       PRO   5  10.651   3.025 -10.392
   31   1HB   PRO   5          HB2       PRO   5  11.715   0.905 -12.178
   32   2HB   PRO   5          HB1       PRO   5  10.281   1.919 -12.369
   33   1HG   PRO   5          HG2       PRO   5  12.466   2.348 -13.836
   34   2HG   PRO   5          HG1       PRO   5  11.493   3.699 -13.224
   35   1HD   PRO   5          HD2       PRO   5  14.108   2.643 -12.229
   36   2HD   PRO   5          HD1       PRO   5  13.540   4.321 -12.350
   37    HA   PRO   6           HA       PRO   6  12.155   0.282  -7.161
   38   1HB   PRO   6          HB2       PRO   6   9.387   0.361  -6.198
   39   2HB   PRO   6          HB1       PRO   6  10.866   0.914  -5.409
   40   1HG   PRO   6          HG2       PRO   6   9.012   2.634  -6.338
   41   2HG   PRO   6          HG1       PRO   6  10.744   3.014  -6.355
   42   1HD   PRO   6          HD2       PRO   6   8.986   2.078  -8.593
   43   2HD   PRO   6          HD1       PRO   6  10.261   3.317  -8.603
   44    H    LYS   7           HN       LYS   7  12.062  -1.875  -6.761
   45    HA   LYS   7           HA       LYS   7  10.173  -3.436  -8.389
   46   1HB   LYS   7          HB2       LYS   7  12.742  -4.447  -7.158
   47   2HB   LYS   7          HB1       LYS   7  11.761  -5.233  -8.378
   48   1HG   LYS   7          HG2       LYS   7  13.249  -2.666  -8.853
   49   2HG   LYS   7          HG1       LYS   7  13.924  -4.259  -9.172
   50   1HD   LYS   7          HD2       LYS   7  13.123  -3.554 -11.248
   51   2HD   LYS   7          HD1       LYS   7  11.856  -4.626 -10.650
   52   1HE   LYS   7          HE2       LYS   7  10.442  -2.833 -10.118
   53   2HE   LYS   7          HE1       LYS   7  11.754  -1.661 -10.207
   54   1HZ   LYS   7          HZ1       LYS   7  10.281  -1.538 -12.127
   55   2HZ   LYS   7          HZ2       LYS   7  10.638  -3.148 -12.523
   56   3HZ   LYS   7          HZ3       LYS   7  11.857  -1.974 -12.580
   57    H    ILE   8           HN       ILE   8   8.488  -3.503  -6.932
   58    HA   ILE   8           HA       ILE   8   9.128  -3.969  -4.152
   59    HB   ILE   8           HB       ILE   8   6.349  -3.711  -5.298
   60   1HG1  ILE   8          HG12      ILE   8   7.795  -1.765  -5.973
   61   2HG1  ILE   8          HG11      ILE   8   6.455  -1.323  -4.920
   62   1HG2  ILE   8          HG21      ILE   8   7.542  -3.210  -2.575
   63   2HG2  ILE   8          HG22      ILE   8   6.483  -4.546  -3.030
   64   3HG2  ILE   8          HG23      ILE   8   5.862  -2.894  -3.015
   65   1HD1  ILE   8          HD11      ILE   8   8.475  -0.146  -4.305
   66   2HD1  ILE   8          HD12      ILE   8   9.329  -1.674  -4.097
   67   3HD1  ILE   8          HD13      ILE   8   7.997  -1.254  -3.020
   68    H    VAL   9           HN       VAL   9   9.249  -5.913  -3.314
   69    HA   VAL   9           HA       VAL   9   8.278  -8.191  -4.882
   70    HB   VAL   9           HB       VAL   9  10.125  -8.122  -2.483
   71   1HG1  VAL   9          HG11      VAL   9   8.973 -10.267  -2.708
   72   2HG1  VAL   9          HG12      VAL   9  10.689 -10.423  -3.085
   73   3HG1  VAL   9          HG13      VAL   9   9.501 -10.379  -4.388
   74   1HG2  VAL   9          HG21      VAL   9  10.744  -8.390  -5.420
   75   2HG2  VAL   9          HG22      VAL   9  11.913  -8.548  -4.109
   76   3HG2  VAL   9          HG23      VAL   9  11.112  -7.003  -4.395
   77    H    TRP  10           HN       TRP  10   6.880  -9.731  -4.040
   78    HA   TRP  10           HA       TRP  10   5.434  -8.838  -1.650
   79   1HB   TRP  10          HB2       TRP  10   4.062  -9.019  -3.655
   80   2HB   TRP  10          HB1       TRP  10   4.549 -10.702  -3.862
   81    HD1  TRP  10           HD1      TRP  10   3.515  -9.197  -0.484
   82    HE1  TRP  10           HE1      TRP  10   1.402 -10.383   0.346
   83    HE3  TRP  10           HE3      TRP  10   2.527 -12.039  -4.613
   84    HZ2  TRP  10           HZ2      TRP  10  -0.467 -12.278  -0.630
   85    HZ3  TRP  10           HZ3      TRP  10   0.552 -13.510  -4.587
   86    HH2  TRP  10           HH2      TRP  10  -0.912 -13.627  -2.635
   87    H    ASN  11           HN       ASN  11   6.198  -9.747   0.102
   88    HA   ASN  11           HA       ASN  11   7.083 -12.518   0.132
   89   1HB   ASN  11          HB2       ASN  11   8.207 -10.612   1.442
   90   2HB   ASN  11          HB1       ASN  11   6.815 -10.677   2.517
   91   1HD2  ASN  11          HD21      ASN  11   6.572 -12.408   3.899
   92   2HD2  ASN  11          HD22      ASN  11   7.837 -13.548   4.203
   93    H    GLU  12           HN       GLU  12   5.082 -13.440  -0.434
   94    HA   GLU  12           HA       GLU  12   2.642 -12.825   0.799
   95   1HB   GLU  12          HB2       GLU  12   1.815 -14.887  -0.298
   96   2HB   GLU  12          HB1       GLU  12   2.653 -13.785  -1.380
   97   1HG   GLU  12          HG2       GLU  12   4.664 -15.192  -1.200
   98   2HG   GLU  12          HG1       GLU  12   3.757 -16.321  -0.193
   99    H    GLY  13           HN       GLY  13   5.215 -14.858   1.859
  100   1HA   GLY  13          HA2       GLY  13   3.761 -16.608   3.541
  101   2HA   GLY  13          HA1       GLY  13   5.439 -16.133   3.765
  102    H    LYS  14           HN       LYS  14   4.574 -13.274   3.805
  103    HA   LYS  14           HA       LYS  14   3.453 -13.209   6.531
  104   1HB   LYS  14          HB2       LYS  14   5.369 -11.265   5.232
  105   2HB   LYS  14          HB1       LYS  14   4.713 -11.117   6.858
  106   1HG   LYS  14          HG2       LYS  14   6.547 -13.280   5.855
  107   2HG   LYS  14          HG1       LYS  14   6.979 -11.944   6.924
  108   1HD   LYS  14          HD2       LYS  14   5.459 -12.807   8.627
  109   2HD   LYS  14          HD1       LYS  14   4.990 -14.126   7.550
  110   1HE   LYS  14          HE2       LYS  14   7.338 -14.882   7.514
  111   2HE   LYS  14          HE1       LYS  14   7.740 -13.615   8.675
  112   1HZ   LYS  14          HZ1       LYS  14   5.856 -15.864   9.113
  113   2HZ   LYS  14          HZ2       LYS  14   6.159 -14.622  10.227
  114   3HZ   LYS  14          HZ3       LYS  14   7.399 -15.699   9.800
  115    H    ARG  15           HN       ARG  15   2.832 -12.630   3.380
  116    HA   ARG  15           HA       ARG  15   1.159 -11.610   2.231
  117   1HB   ARG  15          HB2       ARG  15   0.083 -10.602   4.863
  118   2HB   ARG  15          HB1       ARG  15  -0.794 -10.823   3.356
  119   1HG   ARG  15          HG2       ARG  15  -0.596 -13.231   3.564
  120   2HG   ARG  15          HG1       ARG  15   0.358 -13.033   5.040
  121   1HD   ARG  15          HD2       ARG  15  -1.590 -11.781   6.007
  122   2HD   ARG  15          HD1       ARG  15  -2.521 -12.279   4.596
  123    HE   ARG  15           HE       ARG  15  -2.040 -14.620   5.346
  124   1HH1  ARG  15          HH11      ARG  15  -1.904 -11.965   7.615
  125   2HH1  ARG  15          HH12      ARG  15  -2.410 -12.922   8.978
  126   1HH2  ARG  15          HH21      ARG  15  -2.705 -15.903   7.126
  127   2HH2  ARG  15          HH22      ARG  15  -2.875 -15.166   8.694
  128    H    ARG  16           HN       ARG  16   3.646 -10.239   2.834
  129    HA   ARG  16           HA       ARG  16   2.702  -7.447   2.811
  130   1HB   ARG  16          HB2       ARG  16   4.962  -6.943   3.891
  131   2HB   ARG  16          HB1       ARG  16   3.704  -7.623   4.909
  132   1HG   ARG  16          HG2       ARG  16   4.717  -9.843   4.656
  133   2HG   ARG  16          HG1       ARG  16   5.984  -9.141   3.648
  134   1HD   ARG  16          HD2       ARG  16   5.494  -8.023   6.362
  135   2HD   ARG  16          HD1       ARG  16   6.349  -9.553   6.216
  136    HE   ARG  16           HE       ARG  16   7.562  -7.764   4.463
  137   1HH1  ARG  16          HH11      ARG  16   7.015  -8.007   7.915
  138   2HH1  ARG  16          HH12      ARG  16   8.562  -7.324   8.336
  139   1HH2  ARG  16          HH21      ARG  16   9.615  -6.875   5.010
  140   2HH2  ARG  16          HH22      ARG  16  10.024  -6.664   6.691
  141    H    PHE  17           HN       PHE  17   4.409  -5.951   1.997
  142    HA   PHE  17           HA       PHE  17   5.751  -7.155  -0.338
  143   1HB   PHE  17          HB2       PHE  17   4.836  -4.302   0.072
  144   2HB   PHE  17          HB1       PHE  17   5.690  -4.897  -1.344
  145    HD1  PHE  17           HD1      PHE  17   2.615  -3.951  -0.218
  146    HD2  PHE  17           HD2      PHE  17   4.486  -7.146  -2.300
  147    HE1  PHE  17           HE1      PHE  17   0.467  -4.519  -1.265
  148    HE2  PHE  17           HE2      PHE  17   2.342  -7.721  -3.355
  149    HZ   PHE  17           HZ       PHE  17   0.329  -6.404  -2.839
  150    H    GLU  18           HN       GLU  18   7.694  -5.758  -1.034
  151    HA   GLU  18           HA       GLU  18   9.027  -4.239   1.001
  152   1HB   GLU  18          HB2       GLU  18   9.450  -6.898   1.239
  153   2HB   GLU  18          HB1       GLU  18  10.698  -6.497   0.069
  154   1HG   GLU  18          HG2       GLU  18  11.771  -5.035   1.551
  155   2HG   GLU  18          HG1       GLU  18  10.392  -5.011   2.654
  156    H    THR  19           HN       THR  19  10.086  -2.677   0.029
  157    HA   THR  19           HA       THR  19  10.294  -2.530  -2.797
  158    HB   THR  19           HB       THR  19  10.183  -0.536  -1.253
  159    HG1  THR  19           HG1      THR  19  10.839   0.106  -3.208
  160   1HG2  THR  19          HG21      THR  19  13.066  -1.249  -0.718
  161   2HG2  THR  19          HG22      THR  19  11.747  -1.265   0.451
  162   3HG2  THR  19          HG23      THR  19  12.283   0.261  -0.253
  163    H    GLU  20           HN       GLU  20  12.453  -2.166  -3.904
  164    HA   GLU  20           HA       GLU  20  14.066  -4.484  -3.571
  165   1HB   GLU  20          HB2       GLU  20  15.351  -3.628  -5.439
  166   2HB   GLU  20          HB1       GLU  20  13.634  -3.401  -5.755
  167   1HG   GLU  20          HG2       GLU  20  13.830  -1.056  -5.073
  168   2HG   GLU  20          HG1       GLU  20  15.561  -1.287  -4.821
  169    H    ASP  21           HN       ASP  21  13.916  -1.864  -1.748
  170    HA   ASP  21           HA       ASP  21  16.788  -1.715  -1.177
  171   1HB   ASP  21          HB2       ASP  21  15.597   0.408  -1.632
  172   2HB   ASP  21          HB1       ASP  21  14.531   0.086  -0.273
  173    H    HIS  22           HN       HIS  22  13.868  -3.025  -0.101
  174    HA   HIS  22           HA       HIS  22  13.299  -4.414   1.585
  175   1HB   HIS  22          HB2       HIS  22  16.266  -4.402   2.164
  176   2HB   HIS  22          HB1       HIS  22  15.103  -5.484   2.925
  177    HD1  HIS  22           HD1      HIS  22  13.932  -7.247   1.324
  178    HD2  HIS  22           HD2      HIS  22  17.130  -5.164  -0.323
  179    HE1  HIS  22           HE1      HIS  22  14.588  -8.523  -0.746
  180    HE2  HIS  22           HE2      HIS  22  16.677  -7.386  -1.568
  181    H    GLU  23           HN       GLU  23  14.867  -1.477   2.285
  182    HA   GLU  23           HA       GLU  23  14.425  -1.494   5.115
  183   1HB   GLU  23          HB2       GLU  23  14.969   0.803   3.221
  184   2HB   GLU  23          HB1       GLU  23  15.050   0.884   4.977
  185   1HG   GLU  23          HG2       GLU  23  16.799  -0.808   3.193
  186   2HG   GLU  23          HG1       GLU  23  17.261   0.703   3.991
  187    H    ALA  24           HN       ALA  24  12.579  -0.789   2.327
  188    HA   ALA  24           HA       ALA  24  10.448   0.401   3.973
  189   1HB   ALA  24          HB1       ALA  24  10.955   0.758   1.022
  190   2HB   ALA  24          HB2       ALA  24  11.297   1.944   2.283
  191   3HB   ALA  24          HB3       ALA  24   9.632   1.477   1.941
  192    H    PHE  25           HN       PHE  25   8.503  -0.570   3.976
  193    HA   PHE  25           HA       PHE  25   7.738  -2.486   2.000
  194   1HB   PHE  25          HB2       PHE  25   7.559  -4.394   3.591
  195   2HB   PHE  25          HB1       PHE  25   9.217  -3.944   3.211
  196    HD1  PHE  25           HD1      PHE  25   6.784  -4.444   5.794
  197    HD2  PHE  25           HD2      PHE  25  10.513  -2.598   4.903
  198    HE1  PHE  25           HE1      PHE  25   7.258  -4.257   8.197
  199    HE2  PHE  25           HE2      PHE  25  10.994  -2.409   7.308
  200    HZ   PHE  25           HZ       PHE  25   9.413  -3.325   8.956
  201    H    ILE  26           HN       ILE  26   5.627  -3.481   2.550
  202    HA   ILE  26           HA       ILE  26   4.125  -1.924   4.519
  203    HB   ILE  26           HB       ILE  26   3.830  -1.613   1.743
  204   1HG1  ILE  26          HG12      ILE  26   2.068  -0.854   4.071
  205   2HG1  ILE  26          HG11      ILE  26   3.423   0.062   3.419
  206   1HG2  ILE  26          HG21      ILE  26   1.435  -3.079   2.868
  207   2HG2  ILE  26          HG22      ILE  26   2.524  -3.685   1.621
  208   3HG2  ILE  26          HG23      ILE  26   1.511  -2.278   1.296
  209   1HD1  ILE  26          HD11      ILE  26   0.830  -0.507   2.016
  210   2HD1  ILE  26          HD12      ILE  26   2.191   0.388   1.340
  211   3HD1  ILE  26          HD13      ILE  26   1.320   1.027   2.735
  212    H    GLU  27           HN       GLU  27   2.675  -3.088   5.711
  213    HA   GLU  27           HA       GLU  27   2.564  -5.961   5.070
  214   1HB   GLU  27          HB2       GLU  27   3.367  -5.324   7.344
  215   2HB   GLU  27          HB1       GLU  27   1.814  -4.550   7.658
  216   1HG   GLU  27          HG2       GLU  27   0.687  -6.692   7.429
  217   2HG   GLU  27          HG1       GLU  27   2.213  -7.477   7.031
  218    H    TYR  28           HN       TYR  28   0.544  -6.983   4.799
  219    HA   TYR  28           HA       TYR  28  -1.832  -5.502   5.432
  220   1HB   TYR  28          HB2       TYR  28  -2.814  -5.366   3.277
  221   2HB   TYR  28          HB1       TYR  28  -1.197  -4.703   3.110
  222    HD1  TYR  28           HD1      TYR  28  -3.417  -7.479   2.225
  223    HD2  TYR  28           HD2      TYR  28   0.481  -5.838   1.780
  224    HE1  TYR  28           HE1      TYR  28  -2.975  -9.032   0.371
  225    HE2  TYR  28           HE2      TYR  28   0.929  -7.381  -0.076
  226    HH   TYR  28           HH       TYR  28  -1.520  -9.249  -1.555
  227    H    LYS  29           HN       LYS  29  -3.756  -6.796   5.228
  228    HA   LYS  29           HA       LYS  29  -3.304  -9.645   4.944
  229   1HB   LYS  29          HB2       LYS  29  -4.241 -10.137   7.198
  230   2HB   LYS  29          HB1       LYS  29  -2.674  -9.356   7.234
  231   1HG   LYS  29          HG2       LYS  29  -5.268  -7.895   7.651
  232   2HG   LYS  29          HG1       LYS  29  -4.304  -8.577   8.957
  233   1HD   LYS  29          HD2       LYS  29  -3.481  -6.404   7.030
  234   2HD   LYS  29          HD1       LYS  29  -3.839  -6.214   8.744
  235   1HE   LYS  29          HE2       LYS  29  -1.602  -7.943   7.699
  236   2HE   LYS  29          HE1       LYS  29  -1.394  -6.247   8.120
  237   1HZ   LYS  29          HZ1       LYS  29  -2.234  -6.848  10.379
  238   2HZ   LYS  29          HZ2       LYS  29  -0.727  -7.512   9.972
  239   3HZ   LYS  29          HZ3       LYS  29  -2.120  -8.482   9.928
  240    H    MET  30           HN       MET  30  -5.086 -10.762   4.374
  241    HA   MET  30           HA       MET  30  -7.282  -9.133   3.458
  242   1HB   MET  30          HB2       MET  30  -6.748 -12.097   3.169
  243   2HB   MET  30          HB1       MET  30  -8.078 -11.239   2.405
  244   1HG   MET  30          HG2       MET  30  -6.445  -9.837   1.206
  245   2HG   MET  30          HG1       MET  30  -5.142 -10.779   1.931
  246   1HE   MET  30          HE1       MET  30  -5.820 -14.337   0.390
  247   2HE   MET  30          HE2       MET  30  -6.402 -13.695   1.925
  248   3HE   MET  30          HE3       MET  30  -4.742 -13.387   1.412
  249    H    ARG  31           HN       ARG  31  -8.805  -8.609   4.779
  250    HA   ARG  31           HA       ARG  31  -9.474 -10.315   7.045
  251   1HB   ARG  31          HB2       ARG  31 -10.667  -8.366   7.891
  252   2HB   ARG  31          HB1       ARG  31  -9.006  -7.957   7.493
  253   1HG   ARG  31          HG2       ARG  31  -9.851  -7.018   5.359
  254   2HG   ARG  31          HG1       ARG  31 -11.486  -7.250   5.988
  255   1HD   ARG  31          HD2       ARG  31  -9.318  -5.628   7.325
  256   2HD   ARG  31          HD1       ARG  31 -10.637  -4.959   6.364
  257    HE   ARG  31           HE       ARG  31 -12.079  -6.193   8.137
  258   1HH1  ARG  31          HH11      ARG  31  -9.019  -4.564   8.729
  259   2HH1  ARG  31          HH12      ARG  31  -9.433  -4.121  10.357
  260   1HH2  ARG  31          HH21      ARG  31 -12.604  -5.596  10.302
  261   2HH2  ARG  31          HH22      ARG  31 -11.450  -4.695  11.238
  262    H    ASN  32           HN       ASN  32 -11.806 -10.369   7.653
  263    HA   ASN  32           HA       ASN  32 -13.922 -11.075   7.255
  264   1HB   ASN  32          HB2       ASN  32 -14.011  -8.716   6.285
  265   2HB   ASN  32          HB1       ASN  32 -13.805  -9.458   4.707
  266   1HD2  ASN  32          HD21      ASN  32 -16.014  -7.900   5.489
  267   2HD2  ASN  32          HD22      ASN  32 -17.422  -8.901   5.445
  268    H    ASN  33           HN       ASN  33 -12.445 -13.060   6.793
  269    HA   ASN  33           HA       ASN  33 -12.248 -15.056   5.740
  270   1HB   ASN  33          HB2       ASN  33 -14.501 -14.078   3.972
  271   2HB   ASN  33          HB1       ASN  33 -13.930 -15.739   4.088
  272   1HD2  ASN  33          HD21      ASN  33 -15.851 -13.275   5.497
  273   2HD2  ASN  33          HD22      ASN  33 -16.508 -14.225   6.789
  274    H    GLY  34           HN       GLY  34 -11.056 -12.415   4.641
  275   1HA   GLY  34          HA2       GLY  34  -9.274 -12.181   3.155
  276   2HA   GLY  34          HA1       GLY  34  -9.719 -13.712   2.417
  277    H    LYS  35           HN       LYS  35 -11.939 -11.037   2.939
  278    HA   LYS  35           HA       LYS  35 -12.233 -10.822   0.029
  279   1HB   LYS  35          HB2       LYS  35 -14.066  -9.805   2.210
  280   2HB   LYS  35          HB1       LYS  35 -14.390  -9.743   0.484
  281   1HG   LYS  35          HG2       LYS  35 -14.151 -12.215   2.183
  282   2HG   LYS  35          HG1       LYS  35 -15.625 -11.548   1.482
  283   1HD   LYS  35          HD2       LYS  35 -14.851 -12.017  -0.738
  284   2HD   LYS  35          HD1       LYS  35 -13.264 -12.497  -0.132
  285   1HE   LYS  35          HE2       LYS  35 -14.384 -14.334   1.131
  286   2HE   LYS  35          HE1       LYS  35 -15.893 -13.900   0.325
  287   1HZ   LYS  35          HZ1       LYS  35 -14.727 -15.739  -0.773
  288   2HZ   LYS  35          HZ2       LYS  35 -13.400 -14.726  -1.066
  289   3HZ   LYS  35          HZ3       LYS  35 -14.899 -14.398  -1.796
  290    H    VAL  36           HN       VAL  36 -11.191  -9.100   2.845
  291    HA   VAL  36           HA       VAL  36 -10.871  -6.677   1.199
  292    HB   VAL  36           HB       VAL  36 -11.670  -6.993   4.076
  293   1HG1  VAL  36          HG11      VAL  36  -9.894  -5.534   4.407
  294   2HG1  VAL  36          HG12      VAL  36 -11.290  -4.459   4.219
  295   3HG1  VAL  36          HG13      VAL  36 -10.169  -4.691   2.875
  296   1HG2  VAL  36          HG21      VAL  36 -13.423  -6.718   2.411
  297   2HG2  VAL  36          HG22      VAL  36 -12.660  -5.239   1.823
  298   3HG2  VAL  36          HG23      VAL  36 -13.331  -5.297   3.454
  299    H    MET  37           HN       MET  37  -8.817  -6.100   0.826
  300    HA   MET  37           HA       MET  37  -6.684  -7.230   2.434
  301   1HB   MET  37          HB2       MET  37  -6.740  -5.452   0.004
  302   2HB   MET  37          HB1       MET  37  -5.254  -5.700   0.912
  303   1HG   MET  37          HG2       MET  37  -5.480  -8.131   0.533
  304   2HG   MET  37          HG1       MET  37  -6.892  -7.808  -0.473
  305   1HE   MET  37          HE1       MET  37  -4.056  -8.817  -3.031
  306   2HE   MET  37          HE2       MET  37  -5.661  -9.215  -2.421
  307   3HE   MET  37          HE3       MET  37  -4.247  -9.436  -1.389
  308    H    ASP  38           HN       ASP  38  -6.329  -6.401   4.342
  309    HA   ASP  38           HA       ASP  38  -6.772  -3.574   4.857
  310   1HB   ASP  38          HB2       ASP  38  -7.412  -5.467   6.435
  311   2HB   ASP  38          HB1       ASP  38  -5.691  -5.677   6.748
  312    H    LEU  39           HN       LEU  39  -5.213  -2.292   4.150
  313    HA   LEU  39           HA       LEU  39  -2.469  -3.204   4.003
  314   1HB   LEU  39          HB2       LEU  39  -3.882  -0.689   3.147
  315   2HB   LEU  39          HB1       LEU  39  -2.131  -0.775   3.176
  316    HG   LEU  39           HG       LEU  39  -2.099  -2.474   1.502
  317   1HD1  LEU  39          HD11      LEU  39  -4.115  -3.362   0.466
  318   2HD1  LEU  39          HD12      LEU  39  -5.105  -2.485   1.632
  319   3HD1  LEU  39          HD13      LEU  39  -4.035  -3.777   2.178
  320   1HD2  LEU  39          HD21      LEU  39  -4.050  -0.295   0.785
  321   2HD2  LEU  39          HD22      LEU  39  -3.152  -1.287  -0.365
  322   3HD2  LEU  39          HD23      LEU  39  -2.290  -0.191   0.717
  323    H    VAL  40           HN       VAL  40  -1.358  -3.225   5.809
  324    HA   VAL  40           HA       VAL  40  -1.988  -1.207   7.849
  325    HB   VAL  40           HB       VAL  40  -1.167  -4.094   8.189
  326   1HG1  VAL  40          HG11      VAL  40  -1.499  -1.980  10.316
  327   2HG1  VAL  40          HG12      VAL  40   0.016  -2.742   9.831
  328   3HG1  VAL  40          HG13      VAL  40  -1.245  -3.703  10.599
  329   1HG2  VAL  40          HG21      VAL  40  -3.632  -2.563   9.002
  330   2HG2  VAL  40          HG22      VAL  40  -3.296  -4.244   9.415
  331   3HG2  VAL  40          HG23      VAL  40  -3.518  -3.777   7.729
  332    H    HIS  41           HN       HIS  41  -0.435   0.257   7.614
  333    HA   HIS  41           HA       HIS  41   1.457   1.187   8.427
  334   1HB   HIS  41          HB2       HIS  41   1.547  -1.065   9.825
  335   2HB   HIS  41          HB1       HIS  41   2.922  -1.370   8.766
  336    HD1  HIS  41           HD1      HIS  41   2.751  -0.562  11.981
  337    HD2  HIS  41           HD2      HIS  41   4.221   1.656   8.778
  338    HE1  HIS  41           HE1      HIS  41   4.349   1.108  12.979
  339    HE2  HIS  41           HE2      HIS  41   5.383   2.282  11.004
  340    H    THR  42           HN       THR  42   2.284   2.240   6.841
  341    HA   THR  42           HA       THR  42   3.848   0.873   4.798
  342    HB   THR  42           HB       THR  42   2.331   2.589   3.979
  343    HG1  THR  42           HG1      THR  42   3.749   3.394   2.633
  344   1HG2  THR  42          HG21      THR  42   2.123   3.972   5.958
  345   2HG2  THR  42          HG22      THR  42   2.618   4.958   4.582
  346   3HG2  THR  42          HG23      THR  42   3.802   4.490   5.803
  347    H    TYR  43           HN       TYR  43   5.989   0.696   4.949
  348    HA   TYR  43           HA       TYR  43   7.420   2.402   6.884
  349   1HB   TYR  43          HB2       TYR  43   8.121  -0.348   5.836
  350   2HB   TYR  43          HB1       TYR  43   9.150   0.607   6.892
  351    HD1  TYR  43           HD1      TYR  43   5.996  -1.291   6.689
  352    HD2  TYR  43           HD2      TYR  43   8.745   0.719   9.235
  353    HE1  TYR  43           HE1      TYR  43   4.916  -2.311   8.648
  354    HE2  TYR  43           HE2      TYR  43   7.672  -0.293  11.202
  355    HH   TYR  43           HH       TYR  43   5.585  -2.886  11.030
  356    H    VAL  44           HN       VAL  44   9.241   3.494   6.228
  357    HA   VAL  44           HA       VAL  44  10.587   2.867   3.789
  358    HB   VAL  44           HB       VAL  44   8.624   4.112   2.912
  359   1HG1  VAL  44          HG11      VAL  44   8.224   5.627   4.763
  360   2HG1  VAL  44          HG12      VAL  44   8.438   6.518   3.254
  361   3HG1  VAL  44          HG13      VAL  44   9.747   6.453   4.435
  362   1HG2  VAL  44          HG21      VAL  44  11.286   5.473   2.571
  363   2HG2  VAL  44          HG22      VAL  44   9.900   5.675   1.501
  364   3HG2  VAL  44          HG23      VAL  44  10.675   4.097   1.652
  365    HA   PRO  45           HA       PRO  45  13.715   4.668   6.385
  366   1HB   PRO  45          HB2       PRO  45  15.755   4.654   4.610
  367   2HB   PRO  45          HB1       PRO  45  15.150   3.176   5.371
  368   1HG   PRO  45          HG2       PRO  45  14.520   4.302   2.662
  369   2HG   PRO  45          HG1       PRO  45  14.932   2.633   3.108
  370   1HD   PRO  45          HD2       PRO  45  12.385   3.407   2.714
  371   2HD   PRO  45          HD1       PRO  45  12.818   2.197   3.939
  372    H    SER  46           HN       SER  46  15.301   6.492   6.326
  373    HA   SER  46           HA       SER  46  14.004   8.881   5.615
  374   1HB   SER  46          HB2       SER  46  16.927   8.456   6.281
  375   2HB   SER  46          HB1       SER  46  16.059   9.992   6.349
  376    HG   SER  46           HG       SER  46  16.287   8.211   8.268
  377    H    PHE  47           HN       PHE  47  16.085   6.815   3.861
  378    HA   PHE  47           HA       PHE  47  17.153   8.576   1.959
  379   1HB   PHE  47          HB2       PHE  47  16.392   5.671   1.680
  380   2HB   PHE  47          HB1       PHE  47  17.439   6.551   0.570
  381    HD1  PHE  47           HD1      PHE  47  17.271   4.597   3.544
  382    HD2  PHE  47           HD2      PHE  47  19.595   7.529   1.520
  383    HE1  PHE  47           HE1      PHE  47  19.213   4.005   4.930
  384    HE2  PHE  47           HE2      PHE  47  21.544   6.946   2.906
  385    HZ   PHE  47           HZ       PHE  47  21.359   5.148   4.589
  386    H    LYS  48           HN       LYS  48  13.986   7.092   2.225
  387    HA   LYS  48           HA       LYS  48  13.209   8.377  -0.302
  388   1HB   LYS  48          HB2       LYS  48  12.709   5.506   0.484
  389   2HB   LYS  48          HB1       LYS  48  11.803   6.322  -0.784
  390   1HG   LYS  48          HG2       LYS  48  13.817   6.659  -2.069
  391   2HG   LYS  48          HG1       LYS  48  14.796   5.982  -0.767
  392   1HD   LYS  48          HD2       LYS  48  12.628   4.441  -2.181
  393   2HD   LYS  48          HD1       LYS  48  14.317   4.426  -2.690
  394   1HE   LYS  48          HE2       LYS  48  13.262   3.564   0.003
  395   2HE   LYS  48          HE1       LYS  48  13.806   2.496  -1.290
  396   1HZ   LYS  48          HZ1       LYS  48  16.023   3.518  -1.113
  397   2HZ   LYS  48          HZ2       LYS  48  15.554   2.752   0.331
  398   3HZ   LYS  48          HZ3       LYS  48  15.485   4.440   0.201
  399    H    ARG  49           HN       ARG  49  12.750   8.673   2.750
  400    HA   ARG  49           HA       ARG  49   9.952   8.274   3.104
  401   1HB   ARG  49          HB2       ARG  49  10.201   9.569   5.163
  402   2HB   ARG  49          HB1       ARG  49  11.468   8.358   5.028
  403   1HG   ARG  49          HG2       ARG  49  13.054  10.052   4.328
  404   2HG   ARG  49          HG1       ARG  49  11.784  11.282   4.379
  405   1HD   ARG  49          HD2       ARG  49  12.885   9.709   6.706
  406   2HD   ARG  49          HD1       ARG  49  13.116  11.425   6.385
  407    HE   ARG  49           HE       ARG  49  10.396  10.414   6.828
  408   1HH1  ARG  49          HH11      ARG  49  13.100  12.382   7.855
  409   2HH1  ARG  49          HH12      ARG  49  12.239  13.108   9.178
  410   1HH2  ARG  49          HH21      ARG  49   9.237  11.394   8.556
  411   2HH2  ARG  49          HH22      ARG  49  10.042  12.563   9.567
  412    H    GLY  50           HN       GLY  50   8.296   9.545   2.574
  413   1HA   GLY  50          HA2       GLY  50   7.118  11.375   1.820
  414   2HA   GLY  50          HA1       GLY  50   8.532  12.361   2.160
  415    H    LEU  51           HN       LEU  51   9.488   9.838   0.227
  416    HA   LEU  51           HA       LEU  51   9.701  11.590  -2.069
  417   1HB   LEU  51          HB2       LEU  51  11.554  10.077  -1.259
  418   2HB   LEU  51          HB1       LEU  51  10.589   8.722  -1.814
  419    HG   LEU  51           HG       LEU  51  10.709   9.585  -4.119
  420   1HD1  LEU  51          HD11      LEU  51  12.260  11.393  -4.657
  421   2HD1  LEU  51          HD12      LEU  51  12.560  11.653  -2.940
  422   3HD1  LEU  51          HD13      LEU  51  10.957  11.958  -3.613
  423   1HD2  LEU  51          HD21      LEU  51  13.064   9.065  -4.501
  424   2HD2  LEU  51          HD22      LEU  51  12.341   7.946  -3.346
  425   3HD2  LEU  51          HD23      LEU  51  13.389   9.246  -2.777
  426    H    GLY  52           HN       GLY  52   7.555   9.209  -0.949
  427   1HA   GLY  52          HA2       GLY  52   5.480   9.029  -2.276
  428   2HA   GLY  52          HA1       GLY  52   6.517   8.878  -3.687
  429    H    LEU  53           HN       LEU  53   8.381   7.154  -2.108
  430    HA   LEU  53           HA       LEU  53   7.588   4.715  -3.130
  431   1HB   LEU  53          HB2       LEU  53   9.886   5.424  -2.366
  432   2HB   LEU  53          HB1       LEU  53   9.372   5.076  -0.726
  433    HG   LEU  53           HG       LEU  53  10.747   3.297  -2.011
  434   1HD1  LEU  53          HD11      LEU  53   9.716   2.863   0.146
  435   2HD1  LEU  53          HD12      LEU  53   9.543   1.468  -0.918
  436   3HD1  LEU  53          HD13      LEU  53   8.171   2.539  -0.643
  437   1HD2  LEU  53          HD21      LEU  53   9.434   3.338  -4.066
  438   2HD2  LEU  53          HD22      LEU  53   8.009   2.802  -3.174
  439   3HD2  LEU  53          HD23      LEU  53   9.406   1.736  -3.330
  440    H    ALA  54           HN       ALA  54   7.207   5.910   0.190
  441    HA   ALA  54           HA       ALA  54   6.120   3.650   1.367
  442   1HB   ALA  54          HB1       ALA  54   6.796   5.644   2.613
  443   2HB   ALA  54          HB2       ALA  54   5.144   5.172   3.013
  444   3HB   ALA  54          HB3       ALA  54   5.435   6.534   1.932
  445    H    SER  55           HN       SER  55   4.539   6.236  -0.403
  446    HA   SER  55           HA       SER  55   1.904   5.232  -0.146
  447   1HB   SER  55          HB2       SER  55   2.953   7.092  -2.289
  448   2HB   SER  55          HB1       SER  55   1.311   7.001  -1.649
  449    HG   SER  55           HG       SER  55   2.622   8.765  -0.799
  450    H    HIS  56           HN       HIS  56   4.496   4.765  -2.484
  451    HA   HIS  56           HA       HIS  56   2.999   3.443  -4.480
  452   1HB   HIS  56          HB2       HIS  56   5.899   3.543  -3.778
  453   2HB   HIS  56          HB1       HIS  56   5.346   2.263  -4.848
  454    HD1  HIS  56           HD1      HIS  56   4.738   2.874  -7.226
  455    HD2  HIS  56           HD2      HIS  56   5.699   6.165  -4.865
  456    HE1  HIS  56           HE1      HIS  56   4.981   4.806  -8.819
  457    HE2  HIS  56           HE2      HIS  56   5.799   6.717  -7.390
  458    H    LEU  57           HN       LEU  57   4.426   2.364  -1.475
  459    HA   LEU  57           HA       LEU  57   4.140  -0.417  -1.902
  460   1HB   LEU  57          HB2       LEU  57   4.077   1.149   0.685
  461   2HB   LEU  57          HB1       LEU  57   4.251  -0.591   0.561
  462    HG   LEU  57           HG       LEU  57   6.226   1.355  -0.619
  463   1HD1  LEU  57          HD11      LEU  57   7.631   0.858   1.303
  464   2HD1  LEU  57          HD12      LEU  57   6.339  -0.117   2.006
  465   3HD1  LEU  57          HD13      LEU  57   6.121   1.622   1.805
  466   1HD2  LEU  57          HD21      LEU  57   7.683  -0.606  -0.682
  467   2HD2  LEU  57          HD22      LEU  57   6.221  -0.864  -1.634
  468   3HD2  LEU  57          HD23      LEU  57   6.375  -1.601  -0.040
  469    H    CYS  58           HN       CYS  58   2.017   2.070  -0.596
  470    HA   CYS  58           HA       CYS  58  -0.141   0.362   0.065
  471   1HB   CYS  58          HB2       CYS  58   0.072   2.704   0.853
  472   2HB   CYS  58          HB1       CYS  58  -0.229   3.262  -0.795
  473    HG   CYS  58           HG       CYS  58  -2.788   1.652  -0.592
  474    H    VAL  59           HN       VAL  59   0.711   2.127  -2.871
  475    HA   VAL  59           HA       VAL  59  -1.541   1.433  -4.412
  476    HB   VAL  59           HB       VAL  59   1.274   2.128  -5.261
  477   1HG1  VAL  59          HG11      VAL  59   0.354   2.592  -7.475
  478   2HG1  VAL  59          HG12      VAL  59  -1.223   2.001  -6.948
  479   3HG1  VAL  59          HG13      VAL  59   0.147   0.894  -7.044
  480   1HG2  VAL  59          HG21      VAL  59  -1.243   3.777  -5.109
  481   2HG2  VAL  59          HG22      VAL  59   0.308   4.330  -5.740
  482   3HG2  VAL  59          HG23      VAL  59   0.153   3.895  -4.038
  483    H    ALA  60           HN       ALA  60   1.473  -0.225  -3.744
  484    HA   ALA  60           HA       ALA  60   1.394  -2.199  -5.704
  485   1HB   ALA  60          HB1       ALA  60   3.323  -1.788  -4.235
  486   2HB   ALA  60          HB2       ALA  60   2.859  -3.490  -4.270
  487   3HB   ALA  60          HB3       ALA  60   2.428  -2.489  -2.884
  488    H    ALA  61           HN       ALA  61  -0.126  -2.160  -2.464
  489    HA   ALA  61           HA       ALA  61  -1.239  -4.775  -2.738
  490   1HB   ALA  61          HB1       ALA  61  -2.143  -2.504  -0.972
  491   2HB   ALA  61          HB2       ALA  61  -0.904  -3.691  -0.566
  492   3HB   ALA  61          HB3       ALA  61  -2.575  -4.206  -0.798
  493    H    PHE  62           HN       PHE  62  -2.336  -1.520  -3.528
  494    HA   PHE  62           HA       PHE  62  -4.989  -2.085  -4.202
  495   1HB   PHE  62          HB2       PHE  62  -3.046  -0.035  -5.257
  496   2HB   PHE  62          HB1       PHE  62  -4.698  -0.147  -5.848
  497    HD1  PHE  62           HD1      PHE  62  -6.229  -0.640  -3.423
  498    HD2  PHE  62           HD2      PHE  62  -2.894   1.918  -4.067
  499    HE1  PHE  62           HE1      PHE  62  -6.964   0.773  -1.544
  500    HE2  PHE  62           HE2      PHE  62  -3.629   3.345  -2.198
  501    HZ   PHE  62           HZ       PHE  62  -5.726   2.827  -1.006
  502    H    GLU  63           HN       GLU  63  -2.078  -2.080  -6.236
  503    HA   GLU  63           HA       GLU  63  -3.217  -2.875  -8.645
  504   1HB   GLU  63          HB2       GLU  63  -0.490  -3.506  -7.499
  505   2HB   GLU  63          HB1       GLU  63  -0.947  -3.791  -9.172
  506   1HG   GLU  63          HG2       GLU  63  -1.155  -1.068  -7.939
  507   2HG   GLU  63          HG1       GLU  63   0.357  -1.666  -8.620
  508    H    HIS  64           HN       HIS  64  -2.305  -4.760  -5.846
  509    HA   HIS  64           HA       HIS  64  -2.576  -7.314  -7.103
  510   1HB   HIS  64          HB2       HIS  64  -2.214  -6.347  -4.296
  511   2HB   HIS  64          HB1       HIS  64  -2.692  -8.008  -4.565
  512    HD1  HIS  64           HD1      HIS  64   0.117  -5.647  -5.579
  513    HD2  HIS  64           HD2      HIS  64  -0.657  -9.713  -5.157
  514    HE1  HIS  64           HE1      HIS  64   2.302  -6.807  -6.030
  515    HE2  HIS  64           HE2      HIS  64   1.761  -9.265  -5.965
  516    H    ALA  65           HN       ALA  65  -4.556  -5.510  -4.773
  517    HA   ALA  65           HA       ALA  65  -6.638  -7.375  -4.632
  518   1HB   ALA  65          HB1       ALA  65  -6.770  -4.401  -4.210
  519   2HB   ALA  65          HB2       ALA  65  -6.327  -5.600  -2.996
  520   3HB   ALA  65          HB3       ALA  65  -7.959  -5.583  -3.666
  521    H    SER  66           HN       SER  66  -6.461  -4.332  -6.503
  522    HA   SER  66           HA       SER  66  -8.860  -4.507  -7.835
  523   1HB   SER  66          HB2       SER  66  -6.282  -3.590  -9.130
  524   2HB   SER  66          HB1       SER  66  -7.918  -3.083  -9.543
  525    HG   SER  66           HG       SER  66  -6.356  -2.427  -7.302
  526    H    SER  67           HN       SER  67  -5.843  -6.174  -8.712
  527    HA   SER  67           HA       SER  67  -6.800  -7.148 -11.202
  528   1HB   SER  67          HB2       SER  67  -4.536  -8.154  -9.462
  529   2HB   SER  67          HB1       SER  67  -4.817  -8.624 -11.140
  530    HG   SER  67           HG       SER  67  -3.824  -6.246 -10.082
  531    H    HIS  68           HN       HIS  68  -7.239  -8.189  -7.953
  532    HA   HIS  68           HA       HIS  68  -8.355 -10.750  -8.898
  533   1HB   HIS  68          HB2       HIS  68  -6.454 -10.637  -7.125
  534   2HB   HIS  68          HB1       HIS  68  -7.722 -10.120  -6.024
  535    HD1  HIS  68           HD1      HIS  68  -9.807 -11.915  -5.861
  536    HD2  HIS  68           HD2      HIS  68  -6.182 -13.314  -7.321
  537    HE1  HIS  68           HE1      HIS  68  -9.894 -14.412  -5.593
  538    HE2  HIS  68           HE2      HIS  68  -7.792 -15.240  -6.715
  539    H    SER  69           HN       SER  69  -9.425  -7.835  -8.575
  540    HA   SER  69           HA       SER  69 -11.336  -6.762  -7.987
  541   1HB   SER  69          HB2       SER  69 -12.412  -9.590  -8.054
  542   2HB   SER  69          HB1       SER  69 -13.416  -8.141  -7.979
  543    HG   SER  69           HG       SER  69 -12.733  -7.547  -9.992
  544    H    ILE  70           HN       ILE  70  -9.543  -7.492  -5.875
  545    HA   ILE  70           HA       ILE  70 -11.240  -8.238  -3.641
  546    HB   ILE  70           HB       ILE  70  -8.262  -7.629  -3.746
  547   1HG1  ILE  70          HG12      ILE  70  -9.784 -10.239  -3.472
  548   2HG1  ILE  70          HG11      ILE  70  -8.925  -9.694  -4.907
  549   1HG2  ILE  70          HG21      ILE  70  -8.190  -8.590  -1.474
  550   2HG2  ILE  70          HG22      ILE  70  -9.954  -8.655  -1.459
  551   3HG2  ILE  70          HG23      ILE  70  -9.128  -7.098  -1.544
  552   1HD1  ILE  70          HD11      ILE  70  -7.681 -10.323  -2.243
  553   2HD1  ILE  70          HD12      ILE  70  -6.819  -9.785  -3.684
  554   3HD1  ILE  70          HD13      ILE  70  -7.643 -11.346  -3.679
  555    H    SER  71           HN       SER  71 -11.731  -6.891  -1.903
  556    HA   SER  71           HA       SER  71 -11.577  -4.037  -2.496
  557   1HB   SER  71          HB2       SER  71 -13.018  -5.495  -0.257
  558   2HB   SER  71          HB1       SER  71 -13.199  -3.791  -0.671
  559    HG   SER  71           HG       SER  71 -13.822  -5.982  -2.385
  560    H    ILE  72           HN       ILE  72 -10.989  -2.573  -0.587
  561    HA   ILE  72           HA       ILE  72  -8.804  -3.796   0.952
  562    HB   ILE  72           HB       ILE  72  -8.538  -1.516  -1.011
  563   1HG1  ILE  72          HG12      ILE  72  -7.229  -4.205  -0.682
  564   2HG1  ILE  72          HG11      ILE  72  -8.083  -3.564  -2.087
  565   1HG2  ILE  72          HG21      ILE  72  -7.486  -0.747   1.020
  566   2HG2  ILE  72          HG22      ILE  72  -6.262  -1.135  -0.190
  567   3HG2  ILE  72          HG23      ILE  72  -6.568  -2.250   1.145
  568   1HD1  ILE  72          HD11      ILE  72  -6.254  -1.975  -2.442
  569   2HD1  ILE  72          HD12      ILE  72  -5.719  -3.651  -2.514
  570   3HD1  ILE  72          HD13      ILE  72  -5.389  -2.680  -1.079
  571    H    ILE  73           HN       ILE  73  -8.144  -2.673   2.756
  572    HA   ILE  73           HA       ILE  73  -9.513  -0.184   3.509
  573    HB   ILE  73           HB       ILE  73  -9.176  -2.651   5.244
  574   1HG1  ILE  73          HG12      ILE  73 -11.228  -2.585   3.910
  575   2HG1  ILE  73          HG11      ILE  73 -11.591  -2.417   5.626
  576   1HG2  ILE  73          HG21      ILE  73  -8.415  -0.751   6.533
  577   2HG2  ILE  73          HG22      ILE  73  -9.979  -1.300   7.139
  578   3HG2  ILE  73          HG23      ILE  73  -9.884   0.144   6.133
  579   1HD1  ILE  73          HD11      ILE  73 -11.495  -0.191   3.608
  580   2HD1  ILE  73          HD12      ILE  73 -11.849  -0.008   5.325
  581   3HD1  ILE  73          HD13      ILE  73 -12.947  -0.921   4.291
  582    HA   PRO  74           HA       PRO  74  -5.119   0.317   4.095
  583   1HB   PRO  74          HB2       PRO  74  -5.136   3.008   3.538
  584   2HB   PRO  74          HB1       PRO  74  -5.072   1.726   2.328
  585   1HG   PRO  74          HG2       PRO  74  -7.216   3.575   2.863
  586   2HG   PRO  74          HG1       PRO  74  -7.121   2.340   1.599
  587   1HD   PRO  74          HD2       PRO  74  -8.498   2.256   4.201
  588   2HD   PRO  74          HD1       PRO  74  -8.764   1.267   2.749
  589    H    SER  75           HN       SER  75  -4.827   0.035   6.293
  590    HA   SER  75           HA       SER  75  -5.296   2.131   8.199
  591   1HB   SER  75          HB2       SER  75  -3.342  -0.191   8.322
  592   2HB   SER  75          HB1       SER  75  -3.884   0.785   9.686
  593    HG   SER  75           HG       SER  75  -5.285  -1.172   8.206
  594    H    CYS  76           HN       CYS  76  -3.093   1.473   5.753
  595    HA   CYS  76           HA       CYS  76  -0.916   3.120   6.403
  596   1HB   CYS  76          HB2       CYS  76  -1.963   2.432   3.644
  597   2HB   CYS  76          HB1       CYS  76  -0.369   3.063   4.034
  598    HG   CYS  76           HG       CYS  76  -0.406   0.244   3.405
  599    H    SER  77           HN       SER  77  -3.684   4.290   6.784
  600    HA   SER  77           HA       SER  77  -4.628   5.892   4.797
  601   1HB   SER  77          HB2       SER  77  -4.805   6.800   7.641
  602   2HB   SER  77          HB1       SER  77  -6.046   6.798   6.388
  603    HG   SER  77           HG       SER  77  -5.927   4.436   6.521
  604    H    TYR  78           HN       TYR  78  -1.701   6.625   6.539
  605    HA   TYR  78           HA       TYR  78  -1.571   9.385   6.077
  606   1HB   TYR  78          HB2       TYR  78   0.443   8.883   7.004
  607   2HB   TYR  78          HB1       TYR  78   0.373   7.216   6.447
  608    HD1  TYR  78           HD1      TYR  78   1.239  10.672   5.349
  609    HD2  TYR  78           HD2      TYR  78   1.679   6.500   4.635
  610    HE1  TYR  78           HE1      TYR  78   2.931  11.147   3.631
  611    HE2  TYR  78           HE2      TYR  78   3.370   6.958   2.914
  612    HH   TYR  78           HH       TYR  78   3.937   8.890   1.383
  613    H    VAL  79           HN       VAL  79  -0.724   6.665   3.963
  614    HA   VAL  79           HA       VAL  79  -0.318   8.093   1.581
  615    HB   VAL  79           HB       VAL  79  -1.404   5.290   1.919
  616   1HG1  VAL  79          HG11      VAL  79  -0.508   4.898  -0.323
  617   2HG1  VAL  79          HG12      VAL  79  -0.034   6.592  -0.430
  618   3HG1  VAL  79          HG13      VAL  79  -1.741   6.158  -0.326
  619   1HG2  VAL  79          HG21      VAL  79   0.697   5.502   3.091
  620   2HG2  VAL  79          HG22      VAL  79   1.443   6.250   1.679
  621   3HG2  VAL  79          HG23      VAL  79   0.936   4.563   1.617
  622    H    SER  80           HN       SER  80  -3.152   6.500   2.927
  623    HA   SER  80           HA       SER  80  -4.876   6.744   0.768
  624   1HB   SER  80          HB2       SER  80  -5.721   6.894   3.660
  625   2HB   SER  80          HB1       SER  80  -6.609   6.196   2.303
  626    HG   SER  80           HG       SER  80  -5.281   4.486   2.286
  627    H    ASP  81           HN       ASP  81  -4.206   8.990   3.361
  628    HA   ASP  81           HA       ASP  81  -6.388  10.719   2.889
  629   1HB   ASP  81          HB2       ASP  81  -5.327  10.710   5.038
  630   2HB   ASP  81          HB1       ASP  81  -3.760  11.076   4.334
  631    H    THR  82           HN       THR  82  -2.939  10.975   2.011
  632    HA   THR  82           HA       THR  82  -3.536  13.341   0.427
  633    HB   THR  82           HB       THR  82  -1.549  13.541   1.720
  634    HG1  THR  82           HG1      THR  82  -1.037  14.583  -0.075
  635   1HG2  THR  82          HG21      THR  82  -1.017  11.184   2.050
  636   2HG2  THR  82          HG22      THR  82   0.391  12.064   1.458
  637   3HG2  THR  82          HG23      THR  82  -0.536  11.042   0.359
  638    H    PHE  83           HN       PHE  83  -2.276  10.068  -0.144
  639    HA   PHE  83           HA       PHE  83  -1.641  10.594  -2.878
  640   1HB   PHE  83          HB2       PHE  83  -0.711   8.843  -1.120
  641   2HB   PHE  83          HB1       PHE  83  -1.915   7.815  -1.884
  642    HD1  PHE  83           HD1      PHE  83  -1.176   6.493  -3.601
  643    HD2  PHE  83           HD2      PHE  83   0.716  10.245  -2.936
  644    HE1  PHE  83           HE1      PHE  83   0.379   6.037  -5.456
  645    HE2  PHE  83           HE2      PHE  83   2.274   9.795  -4.785
  646    HZ   PHE  83           HZ       PHE  83   2.107   7.688  -6.047
  647    H    LEU  84           HN       LEU  84  -4.394   9.114  -1.245
  648    HA   LEU  84           HA       LEU  84  -5.426   7.861  -3.573
  649   1HB   LEU  84          HB2       LEU  84  -6.565   8.516  -0.900
  650   2HB   LEU  84          HB1       LEU  84  -7.634   7.963  -2.181
  651    HG   LEU  84           HG       LEU  84  -5.188   6.450  -1.247
  652   1HD1  LEU  84          HD11      LEU  84  -6.822   6.559   0.544
  653   2HD1  LEU  84          HD12      LEU  84  -6.768   4.937  -0.152
  654   3HD1  LEU  84          HD13      LEU  84  -8.089   6.032  -0.563
  655   1HD2  LEU  84          HD21      LEU  84  -6.167   4.611  -2.502
  656   2HD2  LEU  84          HD22      LEU  84  -5.868   5.999  -3.548
  657   3HD2  LEU  84          HD23      LEU  84  -7.506   5.646  -2.995
  658    HA   PRO  85           HA       PRO  85  -8.041  11.915  -4.187
  659   1HB   PRO  85          HB2       PRO  85  -6.230  13.918  -3.043
  660   2HB   PRO  85          HB1       PRO  85  -7.981  13.787  -2.898
  661   1HG   PRO  85          HG2       PRO  85  -6.264  13.277  -0.867
  662   2HG   PRO  85          HG1       PRO  85  -7.850  12.508  -1.023
  663   1HD   PRO  85          HD2       PRO  85  -5.143  11.390  -1.532
  664   2HD   PRO  85          HD1       PRO  85  -6.629  10.583  -0.988
  665    H    ARG  86           HN       ARG  86  -4.589  11.635  -4.003
  666    HA   ARG  86           HA       ARG  86  -3.972  13.301  -6.244
  667   1HB   ARG  86          HB2       ARG  86  -2.359  12.949  -4.486
  668   2HB   ARG  86          HB1       ARG  86  -2.402  11.212  -4.732
  669   1HG   ARG  86          HG2       ARG  86  -1.348  11.474  -6.899
  670   2HG   ARG  86          HG1       ARG  86  -1.352  13.230  -6.702
  671   1HD   ARG  86          HD2       ARG  86   0.094  13.067  -4.789
  672   2HD   ARG  86          HD1       ARG  86   0.006  11.308  -4.825
  673    HE   ARG  86           HE       ARG  86   1.011  11.904  -7.257
  674   1HH1  ARG  86          HH11      ARG  86   1.879  12.874  -4.007
  675   2HH1  ARG  86          HH12      ARG  86   3.567  13.047  -4.373
  676   1HH2  ARG  86          HH21      ARG  86   3.244  12.108  -7.738
  677   2HH2  ARG  86          HH22      ARG  86   4.343  12.628  -6.491
  678    H    ASN  87           HN       ASN  87  -4.320   9.815  -5.722
  679    HA   ASN  87           HA       ASN  87  -4.647   9.499  -8.632
  680   1HB   ASN  87          HB2       ASN  87  -3.204   7.612  -6.758
  681   2HB   ASN  87          HB1       ASN  87  -3.660   7.205  -8.406
  682   1HD2  ASN  87          HD21      ASN  87  -1.474   8.974  -6.395
  683   2HD2  ASN  87          HD22      ASN  87  -0.385   9.455  -7.652
  684    HA   PRO  88           HA       PRO  88  -8.327   7.992  -6.344
  685   1HB   PRO  88          HB2       PRO  88  -9.955   9.336  -8.297
  686   2HB   PRO  88          HB1       PRO  88  -9.745   9.731  -6.591
  687   1HG   PRO  88          HG2       PRO  88  -8.862  11.303  -8.657
  688   2HG   PRO  88          HG1       PRO  88  -8.154  11.308  -7.032
  689   1HD   PRO  88          HD2       PRO  88  -7.198   9.935  -9.514
  690   2HD   PRO  88          HD1       PRO  88  -6.268  10.778  -8.259
  691    H    SER  89           HN       SER  89  -7.454   5.944  -7.410
  692    HA   SER  89           HA       SER  89  -9.390   5.135  -9.482
  693   1HB   SER  89          HB2       SER  89  -6.489   4.272  -9.351
  694   2HB   SER  89          HB1       SER  89  -7.665   3.812 -10.583
  695    HG   SER  89           HG       SER  89  -6.444   5.487 -11.394
  696    H    TRP  90           HN       TRP  90  -8.769   4.782  -6.399
  697    HA   TRP  90           HA       TRP  90  -8.901   1.838  -6.408
  698   1HB   TRP  90          HB2       TRP  90  -7.731   3.436  -4.146
  699   2HB   TRP  90          HB1       TRP  90  -7.498   1.733  -4.526
  700    HD1  TRP  90           HD1      TRP  90  -5.743   4.903  -4.739
  701    HE1  TRP  90           HE1      TRP  90  -3.788   4.803  -6.396
  702    HE3  TRP  90           HE3      TRP  90  -6.970   0.576  -7.179
  703    HZ2  TRP  90           HZ2      TRP  90  -2.882   3.118  -8.475
  704    HZ3  TRP  90           HZ3      TRP  90  -5.504  -0.204  -8.994
  705    HH2  TRP  90           HH2      TRP  90  -3.503   1.042  -9.630
  706    H    LYS  91           HN       LYS  91 -10.745   4.430  -5.967
  707    HA   LYS  91           HA       LYS  91 -11.944   4.115  -3.463
  708   1HB   LYS  91          HB2       LYS  91 -12.933   5.287  -6.042
  709   2HB   LYS  91          HB1       LYS  91 -13.973   5.197  -4.628
  710   1HG   LYS  91          HG2       LYS  91 -12.269   6.479  -3.360
  711   2HG   LYS  91          HG1       LYS  91 -11.347   6.654  -4.853
  712   1HD   LYS  91          HD2       LYS  91 -13.046   7.961  -5.859
  713   2HD   LYS  91          HD1       LYS  91 -14.213   7.535  -4.605
  714   1HE   LYS  91          HE2       LYS  91 -13.425   9.799  -4.268
  715   2HE   LYS  91          HE1       LYS  91 -12.873   8.763  -2.958
  716   1HZ   LYS  91          HZ1       LYS  91 -11.277   9.815  -5.227
  717   2HZ   LYS  91          HZ2       LYS  91 -10.718   8.597  -4.192
  718   3HZ   LYS  91          HZ3       LYS  91 -11.066  10.133  -3.575
  719    HA   PRO  92           HA       PRO  92 -15.045   1.006  -5.742
  720   1HB   PRO  92          HB2       PRO  92 -12.968  -0.286  -7.424
  721   2HB   PRO  92          HB1       PRO  92 -14.683  -0.025  -7.756
  722   1HG   PRO  92          HG2       PRO  92 -12.849   1.476  -8.941
  723   2HG   PRO  92          HG1       PRO  92 -14.362   2.197  -8.358
  724   1HD   PRO  92          HD2       PRO  92 -11.625   2.288  -7.151
  725   2HD   PRO  92          HD1       PRO  92 -12.856   3.562  -7.251
  726    H    LEU  93           HN       LEU  93 -11.827   0.674  -4.594
  727    HA   LEU  93           HA       LEU  93 -12.253  -2.105  -3.765
  728   1HB   LEU  93          HB2       LEU  93  -9.804  -0.438  -3.250
  729   2HB   LEU  93          HB1       LEU  93  -9.938  -2.187  -3.294
  730    HG   LEU  93           HG       LEU  93 -10.320  -0.444  -5.717
  731   1HD1  LEU  93          HD11      LEU  93  -7.837  -1.861  -4.746
  732   2HD1  LEU  93          HD12      LEU  93  -8.073  -0.116  -4.854
  733   3HD1  LEU  93          HD13      LEU  93  -8.025  -1.093  -6.322
  734   1HD2  LEU  93          HD21      LEU  93 -11.317  -2.670  -5.846
  735   2HD2  LEU  93          HD22      LEU  93  -9.781  -3.399  -5.376
  736   3HD2  LEU  93          HD23      LEU  93  -9.921  -2.549  -6.917
  737    H    ILE  94           HN       ILE  94 -11.686   1.107  -2.493
  738    HA   ILE  94           HA       ILE  94 -11.859   0.070   0.258
  739    HB   ILE  94           HB       ILE  94 -10.536   2.032   0.907
  740   1HG1  ILE  94          HG12      ILE  94 -10.544   2.627  -2.059
  741   2HG1  ILE  94          HG11      ILE  94 -11.268   3.606  -0.785
  742   1HG2  ILE  94          HG21      ILE  94  -9.377  -0.038   0.294
  743   2HG2  ILE  94          HG22      ILE  94  -8.420   1.389  -0.098
  744   3HG2  ILE  94          HG23      ILE  94  -9.271   0.522  -1.376
  745   1HD1  ILE  94          HD11      ILE  94  -8.341   3.058  -1.152
  746   2HD1  ILE  94          HD12      ILE  94  -9.056   4.017   0.144
  747   3HD1  ILE  94          HD13      ILE  94  -9.184   4.560  -1.531
  748    H    HIS  95           HN       HIS  95 -12.037   2.638   1.426
  749    HA   HIS  95           HA       HIS  95 -14.799   3.279   1.123
  750   1HB   HIS  95          HB2       HIS  95 -12.536   4.528   2.676
  751   2HB   HIS  95          HB1       HIS  95 -14.138   5.259   2.628
  752    HD1  HIS  95           HD1      HIS  95 -16.025   4.061   3.945
  753    HD2  HIS  95           HD2      HIS  95 -12.314   2.192   4.197
  754    HE1  HIS  95           HE1      HIS  95 -16.241   2.358   5.781
  755    HE2  HIS  95           HE2      HIS  95 -13.959   1.309   5.993
  756    H    SER  96           HN       SER  96 -11.935   5.398   0.721
  757    HA   SER  96           HA       SER  96 -12.581   6.178  -1.919
  758   1HB   SER  96          HB2       SER  96 -13.244   8.549  -1.367
  759   2HB   SER  96          HB1       SER  96 -14.464   7.339  -0.950
  760    HG   SER  96           HG       SER  96 -14.210   8.746   0.778
  761    H    GLU  97           HN       GLU  97 -11.406   7.649   1.062
  762    HA   GLU  97           HA       GLU  97  -8.828   8.215  -0.184
  763   1HB   GLU  97          HB2       GLU  97 -10.276  10.177  -0.404
  764   2HB   GLU  97          HB1       GLU  97 -10.619  10.144   1.318
  765   1HG   GLU  97          HG2       GLU  97  -8.275  10.695   1.763
  766   2HG   GLU  97          HG1       GLU  97  -7.971  10.744   0.024
  767    H    VAL  98           HN       VAL  98  -8.850   9.825   2.649
  768    HA   VAL  98           HA       VAL  98  -7.422   7.861   4.064
  769    HB   VAL  98           HB       VAL  98  -6.916  10.080   4.627
  770   1HG1  VAL  98          HG11      VAL  98  -8.911  11.193   3.888
  771   2HG1  VAL  98          HG12      VAL  98  -8.555  11.677   5.546
  772   3HG1  VAL  98          HG13      VAL  98  -9.836  10.506   5.226
  773   1HG2  VAL  98          HG21      VAL  98  -7.328  10.218   7.043
  774   2HG2  VAL  98          HG22      VAL  98  -6.848   8.597   6.542
  775   3HG2  VAL  98          HG23      VAL  98  -8.539   8.944   6.900
  776    H    PHE  99           HN       PHE  99 -10.755   9.078   4.577
  777    HA   PHE  99           HA       PHE  99 -11.948   6.703   5.292
  778   1HB   PHE  99          HB2       PHE  99 -10.193   6.782   7.152
  779   2HB   PHE  99          HB1       PHE  99 -11.077   8.156   7.802
  780    HD1  PHE  99           HD1      PHE  99 -11.608   4.615   6.754
  781    HD2  PHE  99           HD2      PHE  99 -12.728   7.787   9.358
  782    HE1  PHE  99           HE1      PHE  99 -13.089   3.080   7.979
  783    HE2  PHE  99           HE2      PHE  99 -14.215   6.258  10.589
  784    HZ   PHE  99           HZ       PHE  99 -14.379   3.882   9.897
  785    H    LYS 100           HN       LYS 100 -11.913   9.885   4.747
  786    HA   LYS 100           HA       LYS 100 -13.918  10.848   6.516
  787   1HB   LYS 100          HB2       LYS 100 -13.829  12.886   5.010
  788   2HB   LYS 100          HB1       LYS 100 -12.353  12.451   5.848
  789   1HG   LYS 100          HG2       LYS 100 -11.708  13.075   3.682
  790   2HG   LYS 100          HG1       LYS 100 -11.621  11.315   3.711
  791   1HD   LYS 100          HD2       LYS 100 -13.526  11.083   2.386
  792   2HD   LYS 100          HD1       LYS 100 -14.082  12.725   2.725
  793   1HE   LYS 100          HE2       LYS 100 -12.159  13.593   1.438
  794   2HE   LYS 100          HE1       LYS 100 -11.693  11.937   1.054
  795   1HZ   LYS 100          HZ1       LYS 100 -14.291  13.178   0.316
  796   2HZ   LYS 100          HZ2       LYS 100 -13.740  11.643  -0.147
  797   3HZ   LYS 100          HZ3       LYS 100 -12.964  13.034  -0.722
  798    H    SER 101           HN       SER 101 -14.240   8.848   3.930
  799    HA   SER 101           HA       SER 101 -17.031   9.230   3.741
  800   1HB   SER 101          HB2       SER 101 -17.229  10.127   1.516
  801   2HB   SER 101          HB1       SER 101 -16.167  11.194   2.439
  802    HG   SER 101           HG       SER 101 -15.595  10.320   0.162
  803    H    SER 102           HN       SER 102 -17.952   7.856   1.887
  804    HA   SER 102           HA       SER 102 -16.116   5.688   1.128
  805   1HB   SER 102          HB2       SER 102 -18.937   5.286   2.164
  806   2HB   SER 102          HB1       SER 102 -17.827   4.020   1.636
  807    HG   SER 102           HG       SER 102 -17.181   5.828   3.723
  808    H    ILE 103           HN       ILE 103 -19.112   7.450   0.538
  809    HA   ILE 103           HA       ILE 103 -18.899   6.670  -2.287
  810    HB   ILE 103           HB       ILE 103 -21.452   6.961  -2.346
  811   1HG1  ILE 103          HG12      ILE 103 -21.072   6.449   0.617
  812   2HG1  ILE 103          HG11      ILE 103 -21.718   7.921  -0.101
  813   1HG2  ILE 103          HG21      ILE 103 -21.794   4.608  -1.724
  814   2HG2  ILE 103          HG22      ILE 103 -20.207   4.595  -0.954
  815   3HG2  ILE 103          HG23      ILE 103 -20.342   4.841  -2.696
  816   1HD1  ILE 103          HD11      ILE 103 -23.485   6.513   0.801
  817   2HD1  ILE 103          HD12      ILE 103 -22.977   5.191  -0.251
  818   3HD1  ILE 103          HD13      ILE 103 -23.630   6.672  -0.950
  Start of MODEL   20
    1   1H    MET   1           HT1      MET   1  13.574  11.479 -14.958
    2   2H    MET   1           HT2      MET   1  13.039  13.089 -14.993
    3   3H    MET   1           HT3      MET   1  12.533  11.999 -16.189
    4    HA   MET   1           HA       MET   1  10.816  12.451 -14.526
    5   1HB   MET   1          HB2       MET   1  11.917   9.641 -14.687
    6   2HB   MET   1          HB1       MET   1  10.361  10.025 -13.966
    7   1HG   MET   1          HG2       MET   1   9.996   9.264 -16.194
    8   2HG   MET   1          HG1       MET   1   9.649  10.989 -16.131
    9   1HE   MET   1          HE1       MET   1  13.442   9.154 -18.015
   10   2HE   MET   1          HE2       MET   1  12.119   8.210 -17.331
   11   3HE   MET   1          HE3       MET   1  13.155   9.168 -16.275
   12    H    ALA   2           HN       ALA   2  10.154  12.474 -12.401
   13    HA   ALA   2           HA       ALA   2  12.269  12.823 -10.496
   14   1HB   ALA   2          HB1       ALA   2  10.500  13.458  -8.951
   15   2HB   ALA   2          HB2       ALA   2   9.282  12.875 -10.088
   16   3HB   ALA   2          HB3       ALA   2  10.292  14.260 -10.507
   17    H    THR   3           HN       THR   3  10.437  10.140 -11.475
   18    HA   THR   3           HA       THR   3  11.401   8.616  -9.183
   19    HB   THR   3           HB       THR   3   9.150   9.175  -8.509
   20    HG1  THR   3           HG1      THR   3   9.000   6.518  -9.506
   21   1HG2  THR   3          HG21      THR   3   8.212   9.716 -10.700
   22   2HG2  THR   3          HG22      THR   3   7.193   8.557  -9.845
   23   3HG2  THR   3          HG23      THR   3   8.252   8.011 -11.146
   24    H    GLU   4           HN       GLU   4  12.190   6.707  -9.725
   25    HA   GLU   4           HA       GLU   4  11.548   5.561 -12.357
   26   1HB   GLU   4          HB2       GLU   4  13.955   5.900 -11.891
   27   2HB   GLU   4          HB1       GLU   4  13.812   4.915 -10.443
   28   1HG   GLU   4          HG2       GLU   4  14.793   3.571 -12.128
   29   2HG   GLU   4          HG1       GLU   4  13.140   3.004 -11.900
   30    HA   PRO   5           HA       PRO   5   8.575   2.958 -10.225
   31   1HB   PRO   5          HB2       PRO   5   9.430   1.217 -12.515
   32   2HB   PRO   5          HB1       PRO   5   7.804   1.525 -11.889
   33   1HG   PRO   5          HG2       PRO   5   8.652   2.773 -14.070
   34   2HG   PRO   5          HG1       PRO   5   7.689   3.636 -12.856
   35   1HD   PRO   5          HD2       PRO   5  10.592   3.831 -13.462
   36   2HD   PRO   5          HD1       PRO   5   9.486   5.063 -12.824
   37    HA   PRO   6           HA       PRO   6  11.719   0.666  -7.962
   38   1HB   PRO   6          HB2       PRO   6   9.538   0.198  -6.066
   39   2HB   PRO   6          HB1       PRO   6  11.053   1.072  -5.832
   40   1HG   PRO   6          HG2       PRO   6   8.676   2.337  -5.934
   41   2HG   PRO   6          HG1       PRO   6  10.167   3.073  -6.552
   42   1HD   PRO   6          HD2       PRO   6   7.957   1.715  -8.056
   43   2HD   PRO   6          HD1       PRO   6   8.830   3.216  -8.446
   44    H    LYS   7           HN       LYS   7  11.713  -1.519  -6.838
   45    HA   LYS   7           HA       LYS   7  10.163  -3.395  -8.511
   46   1HB   LYS   7          HB2       LYS   7  12.861  -3.904  -7.238
   47   2HB   LYS   7          HB1       LYS   7  12.003  -4.964  -8.341
   48   1HG   LYS   7          HG2       LYS   7  12.971  -2.234  -9.140
   49   2HG   LYS   7          HG1       LYS   7  13.970  -3.679  -9.276
   50   1HD   LYS   7          HD2       LYS   7  13.056  -3.524 -11.391
   51   2HD   LYS   7          HD1       LYS   7  11.943  -4.635 -10.597
   52   1HE   LYS   7          HE2       LYS   7  10.372  -2.849 -10.206
   53   2HE   LYS   7          HE1       LYS   7  11.506  -1.667 -10.856
   54   1HZ   LYS   7          HZ1       LYS   7  10.248  -3.884 -12.382
   55   2HZ   LYS   7          HZ2       LYS   7  11.357  -2.763 -13.005
   56   3HZ   LYS   7          HZ3       LYS   7   9.832  -2.243 -12.479
   57    H    ILE   8           HN       ILE   8   8.476  -3.545  -7.057
   58    HA   ILE   8           HA       ILE   8   9.119  -3.948  -4.259
   59    HB   ILE   8           HB       ILE   8   6.385  -3.685  -5.513
   60   1HG1  ILE   8          HG12      ILE   8   7.903  -1.730  -5.976
   61   2HG1  ILE   8          HG11      ILE   8   6.486  -1.321  -5.011
   62   1HG2  ILE   8          HG21      ILE   8   6.360  -4.652  -3.287
   63   2HG2  ILE   8          HG22      ILE   8   5.728  -3.007  -3.232
   64   3HG2  ILE   8          HG23      ILE   8   7.371  -3.339  -2.683
   65   1HD1  ILE   8          HD11      ILE   8   8.471  -0.206  -4.181
   66   2HD1  ILE   8          HD12      ILE   8   9.279  -1.760  -3.975
   67   3HD1  ILE   8          HD13      ILE   8   7.869  -1.362  -2.994
   68    H    VAL   9           HN       VAL   9   9.038  -5.814  -3.254
   69    HA   VAL   9           HA       VAL   9   8.273  -8.188  -4.809
   70    HB   VAL   9           HB       VAL   9   9.994  -8.008  -2.333
   71   1HG1  VAL   9          HG11      VAL   9   9.590 -10.277  -4.278
   72   2HG1  VAL   9          HG12      VAL   9   8.954 -10.193  -2.635
   73   3HG1  VAL   9          HG13      VAL   9  10.697 -10.274  -2.904
   74   1HG2  VAL   9          HG21      VAL   9  11.048  -6.822  -4.133
   75   2HG2  VAL   9          HG22      VAL   9  10.779  -8.177  -5.230
   76   3HG2  VAL   9          HG23      VAL   9  11.889  -8.350  -3.868
   77    H    TRP  10           HN       TRP  10   6.642  -9.460  -4.157
   78    HA   TRP  10           HA       TRP  10   5.238  -8.751  -1.729
   79   1HB   TRP  10          HB2       TRP  10   3.907  -9.279  -3.678
   80   2HB   TRP  10          HB1       TRP  10   4.663 -10.866  -3.811
   81    HD1  TRP  10           HD1      TRP  10   3.452  -9.470  -0.441
   82    HE1  TRP  10           HE1      TRP  10   1.532 -10.940   0.426
   83    HE3  TRP  10           HE3      TRP  10   2.819 -12.461  -4.536
   84    HZ2  TRP  10           HZ2      TRP  10  -0.056 -13.088  -0.510
   85    HZ3  TRP  10           HZ3      TRP  10   1.080 -14.200  -4.469
   86    HH2  TRP  10           HH2      TRP  10  -0.324 -14.504  -2.496
   87    H    ASN  11           HN       ASN  11   5.939  -9.463   0.122
   88    HA   ASN  11           HA       ASN  11   7.239 -12.073   0.324
   89   1HB   ASN  11          HB2       ASN  11   8.124  -9.997   1.501
   90   2HB   ASN  11          HB1       ASN  11   6.712 -10.104   2.549
   91   1HD2  ASN  11          HD21      ASN  11   9.558 -10.338   3.115
   92   2HD2  ASN  11          HD22      ASN  11   9.760 -11.872   3.908
   93    H    GLU  12           HN       GLU  12   5.530 -13.492   0.031
   94    HA   GLU  12           HA       GLU  12   2.987 -13.096   1.227
   95   1HB   GLU  12          HB2       GLU  12   2.542 -15.442   0.491
   96   2HB   GLU  12          HB1       GLU  12   3.066 -14.354  -0.786
   97   1HG   GLU  12          HG2       GLU  12   5.286 -15.295  -0.722
   98   2HG   GLU  12          HG1       GLU  12   4.840 -16.317   0.646
   99    H    GLY  13           HN       GLY  13   5.913 -14.335   2.461
  100   1HA   GLY  13          HA2       GLY  13   4.793 -16.085   4.427
  101   2HA   GLY  13          HA1       GLY  13   6.414 -15.395   4.451
  102    H    LYS  14           HN       LYS  14   5.423 -12.680   4.184
  103    HA   LYS  14           HA       LYS  14   4.590 -12.255   6.968
  104   1HB   LYS  14          HB2       LYS  14   5.715 -10.209   5.070
  105   2HB   LYS  14          HB1       LYS  14   5.596 -10.110   6.825
  106   1HG   LYS  14          HG2       LYS  14   7.074 -12.379   6.443
  107   2HG   LYS  14          HG1       LYS  14   7.623 -11.318   5.143
  108   1HD   LYS  14          HD2       LYS  14   8.108  -9.570   6.743
  109   2HD   LYS  14          HD1       LYS  14   7.491 -10.586   8.054
  110   1HE   LYS  14          HE2       LYS  14   9.731 -11.428   6.247
  111   2HE   LYS  14          HE1       LYS  14  10.012 -10.548   7.755
  112   1HZ   LYS  14          HZ1       LYS  14  10.243 -12.891   8.129
  113   2HZ   LYS  14          HZ2       LYS  14   8.723 -13.210   7.451
  114   3HZ   LYS  14          HZ3       LYS  14   8.834 -12.362   8.919
  115    H    ARG  15           HN       ARG  15   3.433 -12.259   3.847
  116    HA   ARG  15           HA       ARG  15   1.631 -11.431   2.741
  117   1HB   ARG  15          HB2       ARG  15   0.591 -10.581   5.451
  118   2HB   ARG  15          HB1       ARG  15  -0.349 -10.840   3.990
  119   1HG   ARG  15          HG2       ARG  15   0.078 -13.211   4.084
  120   2HG   ARG  15          HG1       ARG  15   1.149 -12.991   5.470
  121   1HD   ARG  15          HD2       ARG  15  -0.853 -11.934   6.637
  122   2HD   ARG  15          HD1       ARG  15  -1.824 -12.596   5.324
  123    HE   ARG  15           HE       ARG  15  -0.806 -14.824   6.044
  124   1HH1  ARG  15          HH11      ARG  15  -1.404 -12.143   8.230
  125   2HH1  ARG  15          HH12      ARG  15  -1.634 -13.162   9.619
  126   1HH2  ARG  15          HH21      ARG  15  -1.059 -16.166   7.878
  127   2HH2  ARG  15          HH22      ARG  15  -1.414 -15.455   9.425
  128    H    ARG  16           HN       ARG  16   3.776  -9.837   2.631
  129    HA   ARG  16           HA       ARG  16   2.654  -7.146   2.822
  130   1HB   ARG  16          HB2       ARG  16   4.437  -6.262   4.085
  131   2HB   ARG  16          HB1       ARG  16   3.995  -7.749   4.902
  132   1HG   ARG  16          HG2       ARG  16   5.876  -8.894   3.878
  133   2HG   ARG  16          HG1       ARG  16   6.317  -7.415   3.018
  134   1HD   ARG  16          HD2       ARG  16   6.480  -6.308   5.288
  135   2HD   ARG  16          HD1       ARG  16   6.347  -7.922   5.986
  136    HE   ARG  16           HE       ARG  16   8.405  -7.873   4.043
  137   1HH1  ARG  16          HH11      ARG  16   7.690  -6.889   7.340
  138   2HH1  ARG  16          HH12      ARG  16   9.372  -6.774   7.790
  139   1HH2  ARG  16          HH21      ARG  16  10.574  -7.717   4.630
  140   2HH2  ARG  16          HH22      ARG  16  11.016  -7.206   6.236
  141    H    PHE  17           HN       PHE  17   4.058  -5.531   1.683
  142    HA   PHE  17           HA       PHE  17   5.556  -6.793  -0.527
  143   1HB   PHE  17          HB2       PHE  17   4.166  -4.106  -0.559
  144   2HB   PHE  17          HB1       PHE  17   5.034  -4.846  -1.897
  145    HD1  PHE  17           HD1      PHE  17   1.892  -4.279  -0.500
  146    HD2  PHE  17           HD2      PHE  17   4.143  -7.230  -2.579
  147    HE1  PHE  17           HE1      PHE  17  -0.198  -5.335  -1.252
  148    HE2  PHE  17           HE2      PHE  17   2.057  -8.288  -3.336
  149    HZ   PHE  17           HZ       PHE  17  -0.115  -7.323  -2.707
  150    H    GLU  18           HN       GLU  18   7.636  -6.227  -0.741
  151    HA   GLU  18           HA       GLU  18   8.620  -4.005   0.928
  152   1HB   GLU  18          HB2       GLU  18  10.708  -5.861   0.317
  153   2HB   GLU  18          HB1       GLU  18  10.075  -5.402   1.895
  154   1HG   GLU  18          HG2       GLU  18   8.265  -7.103   1.549
  155   2HG   GLU  18          HG1       GLU  18   9.140  -7.630   0.112
  156    H    THR  19           HN       THR  19  10.159  -2.641   0.054
  157    HA   THR  19           HA       THR  19  10.213  -2.417  -2.790
  158    HB   THR  19           HB       THR  19  10.374  -0.429  -1.385
  159    HG1  THR  19           HG1      THR  19  11.742  -0.631  -3.426
  160   1HG2  THR  19          HG21      THR  19  12.291   0.000   0.044
  161   2HG2  THR  19          HG22      THR  19  12.943  -1.593  -0.340
  162   3HG2  THR  19          HG23      THR  19  11.426  -1.451   0.549
  163    H    GLU  20           HN       GLU  20  12.431  -2.297  -3.946
  164    HA   GLU  20           HA       GLU  20  13.840  -4.730  -3.745
  165   1HB   GLU  20          HB2       GLU  20  15.437  -3.662  -5.309
  166   2HB   GLU  20          HB1       GLU  20  13.760  -3.450  -5.792
  167   1HG   GLU  20          HG2       GLU  20  14.887  -1.292  -4.145
  168   2HG   GLU  20          HG1       GLU  20  15.553  -1.461  -5.771
  169    H    ASP  21           HN       ASP  21  13.774  -2.244  -1.738
  170    HA   ASP  21           HA       ASP  21  16.551  -2.322  -0.868
  171   1HB   ASP  21          HB2       ASP  21  15.669  -0.147  -1.167
  172   2HB   ASP  21          HB1       ASP  21  14.166  -0.569  -0.385
  173    H    HIS  22           HN       HIS  22  13.360  -3.340  -0.027
  174    HA   HIS  22           HA       HIS  22  12.531  -4.798   1.462
  175   1HB   HIS  22          HB2       HIS  22  15.433  -5.436   1.990
  176   2HB   HIS  22          HB1       HIS  22  14.079  -6.347   2.654
  177    HD1  HIS  22           HD1      HIS  22  12.693  -7.813   0.991
  178    HD2  HIS  22           HD2      HIS  22  15.995  -5.913  -0.697
  179    HE1  HIS  22           HE1      HIS  22  13.058  -8.920  -1.237
  180    HE2  HIS  22           HE2      HIS  22  14.930  -7.621  -2.319
  181    H    GLU  23           HN       GLU  23  14.531  -2.260   2.568
  182    HA   GLU  23           HA       GLU  23  13.874  -2.648   5.350
  183   1HB   GLU  23          HB2       GLU  23  14.957  -0.154   4.033
  184   2HB   GLU  23          HB1       GLU  23  14.996  -0.552   5.745
  185   1HG   GLU  23          HG2       GLU  23  16.370  -2.615   4.969
  186   2HG   GLU  23          HG1       GLU  23  16.629  -1.663   3.502
  187    H    ALA  24           HN       ALA  24  12.663  -0.875   2.607
  188    HA   ALA  24           HA       ALA  24  10.453   0.198   4.189
  189   1HB   ALA  24          HB1       ALA  24   9.731   1.252   2.076
  190   2HB   ALA  24          HB2       ALA  24  11.103   0.504   1.256
  191   3HB   ALA  24          HB3       ALA  24  11.380   1.701   2.523
  192    H    PHE  25           HN       PHE  25   8.428  -0.617   4.129
  193    HA   PHE  25           HA       PHE  25   7.601  -2.499   2.139
  194   1HB   PHE  25          HB2       PHE  25   7.224  -4.385   3.665
  195   2HB   PHE  25          HB1       PHE  25   8.938  -4.006   3.523
  196    HD1  PHE  25           HD1      PHE  25   6.047  -4.110   5.732
  197    HD2  PHE  25           HD2      PHE  25  10.138  -2.990   5.396
  198    HE1  PHE  25           HE1      PHE  25   6.202  -3.953   8.179
  199    HE2  PHE  25           HE2      PHE  25  10.298  -2.834   7.845
  200    HZ   PHE  25           HZ       PHE  25   8.327  -3.313   9.240
  201    H    ILE  26           HN       ILE  26   5.429  -3.176   2.397
  202    HA   ILE  26           HA       ILE  26   3.905  -1.789   4.486
  203    HB   ILE  26           HB       ILE  26   3.639  -1.448   1.662
  204   1HG1  ILE  26          HG12      ILE  26   2.129  -0.461   4.074
  205   2HG1  ILE  26          HG11      ILE  26   3.436   0.340   3.208
  206   1HG2  ILE  26          HG21      ILE  26   1.236  -1.893   1.364
  207   2HG2  ILE  26          HG22      ILE  26   1.186  -2.675   2.945
  208   3HG2  ILE  26          HG23      ILE  26   2.142  -3.381   1.640
  209   1HD1  ILE  26          HD11      ILE  26   1.996   0.649   1.283
  210   2HD1  ILE  26          HD12      ILE  26   1.256   1.334   2.731
  211   3HD1  ILE  26          HD13      ILE  26   0.694  -0.218   2.102
  212    H    GLU  27           HN       GLU  27   2.560  -3.082   5.619
  213    HA   GLU  27           HA       GLU  27   2.525  -5.907   4.813
  214   1HB   GLU  27          HB2       GLU  27   3.332  -5.184   7.119
  215   2HB   GLU  27          HB1       GLU  27   1.666  -4.745   7.474
  216   1HG   GLU  27          HG2       GLU  27   0.965  -7.037   7.156
  217   2HG   GLU  27          HG1       GLU  27   2.601  -7.496   6.682
  218    H    TYR  28           HN       TYR  28   0.366  -7.052   5.329
  219    HA   TYR  28           HA       TYR  28  -1.963  -5.466   5.470
  220   1HB   TYR  28          HB2       TYR  28  -2.853  -5.625   3.282
  221   2HB   TYR  28          HB1       TYR  28  -1.202  -5.082   3.074
  222    HD1  TYR  28           HD1      TYR  28  -3.439  -8.001   2.757
  223    HD2  TYR  28           HD2      TYR  28   0.359  -6.342   1.810
  224    HE1  TYR  28           HE1      TYR  28  -3.014  -9.865   1.213
  225    HE2  TYR  28           HE2      TYR  28   0.792  -8.196   0.259
  226    HH   TYR  28           HH       TYR  28  -1.662 -10.483  -0.611
  227    H    LYS  29           HN       LYS  29  -3.940  -6.796   5.202
  228    HA   LYS  29           HA       LYS  29  -3.564  -9.662   5.406
  229   1HB   LYS  29          HB2       LYS  29  -4.887  -9.760   7.550
  230   2HB   LYS  29          HB1       LYS  29  -3.254  -9.142   7.708
  231   1HG   LYS  29          HG2       LYS  29  -5.665  -7.349   7.520
  232   2HG   LYS  29          HG1       LYS  29  -5.024  -7.955   9.048
  233   1HD   LYS  29          HD2       LYS  29  -2.813  -6.932   7.674
  234   2HD   LYS  29          HD1       LYS  29  -4.106  -5.767   7.401
  235   1HE   LYS  29          HE2       LYS  29  -3.383  -6.817  10.118
  236   2HE   LYS  29          HE1       LYS  29  -2.650  -5.376   9.422
  237   1HZ   LYS  29          HZ1       LYS  29  -4.903  -4.427   9.213
  238   2HZ   LYS  29          HZ2       LYS  29  -4.454  -4.736  10.822
  239   3HZ   LYS  29          HZ3       LYS  29  -5.533  -5.778  10.033
  240    H    MET  30           HN       MET  30  -5.238 -10.748   4.584
  241    HA   MET  30           HA       MET  30  -7.385  -9.229   3.400
  242   1HB   MET  30          HB2       MET  30  -6.946 -12.232   3.463
  243   2HB   MET  30          HB1       MET  30  -8.060 -11.365   2.418
  244   1HG   MET  30          HG2       MET  30  -6.232 -10.306   1.263
  245   2HG   MET  30          HG1       MET  30  -5.071 -11.032   2.372
  246   1HE   MET  30          HE1       MET  30  -8.274 -12.662   0.771
  247   2HE   MET  30          HE2       MET  30  -7.592 -13.452  -0.650
  248   3HE   MET  30          HE3       MET  30  -7.627 -11.692  -0.553
  249    H    ARG  31           HN       ARG  31  -8.878  -8.542   4.742
  250    HA   ARG  31           HA       ARG  31  -9.617 -10.018   7.135
  251   1HB   ARG  31          HB2       ARG  31 -10.434  -7.312   6.064
  252   2HB   ARG  31          HB1       ARG  31 -11.000  -7.980   7.586
  253   1HG   ARG  31          HG2       ARG  31  -8.801  -7.930   8.507
  254   2HG   ARG  31          HG1       ARG  31  -8.102  -7.503   6.944
  255   1HD   ARG  31          HD2       ARG  31  -8.212  -5.531   8.310
  256   2HD   ARG  31          HD1       ARG  31  -9.378  -5.384   6.998
  257    HE   ARG  31           HE       ARG  31 -10.825  -6.413   9.072
  258   1HH1  ARG  31          HH11      ARG  31  -8.819  -3.554   8.611
  259   2HH1  ARG  31          HH12      ARG  31  -9.694  -2.618   9.787
  260   1HH2  ARG  31          HH21      ARG  31 -11.959  -5.172  10.608
  261   2HH2  ARG  31          HH22      ARG  31 -11.491  -3.518  10.905
  262    H    ASN  32           HN       ASN  32 -12.020 -10.027   7.664
  263    HA   ASN  32           HA       ASN  32 -14.088 -10.870   7.243
  264   1HB   ASN  32          HB2       ASN  32 -14.067  -8.660   5.895
  265   2HB   ASN  32          HB1       ASN  32 -13.871  -9.678   4.479
  266   1HD2  ASN  32          HD21      ASN  32 -16.049  -7.877   5.379
  267   2HD2  ASN  32          HD22      ASN  32 -17.482  -8.840   5.352
  268    H    ASN  33           HN       ASN  33 -12.041 -12.585   6.980
  269    HA   ASN  33           HA       ASN  33 -11.626 -14.720   6.354
  270   1HB   ASN  33          HB2       ASN  33 -14.018 -15.110   6.112
  271   2HB   ASN  33          HB1       ASN  33 -13.999 -14.399   4.502
  272   1HD2  ASN  33          HD21      ASN  33 -13.325 -15.614   2.783
  273   2HD2  ASN  33          HD22      ASN  33 -12.915 -17.291   2.895
  274    H    GLY  34           HN       GLY  34 -11.628 -12.103   4.216
  275   1HA   GLY  34          HA2       GLY  34  -9.422 -12.096   2.959
  276   2HA   GLY  34          HA1       GLY  34 -10.007 -13.597   2.258
  277    H    LYS  35           HN       LYS  35 -12.120 -10.923   2.953
  278    HA   LYS  35           HA       LYS  35 -12.664 -10.632   0.093
  279   1HB   LYS  35          HB2       LYS  35 -14.159  -9.680   2.542
  280   2HB   LYS  35          HB1       LYS  35 -14.656  -9.341   0.890
  281   1HG   LYS  35          HG2       LYS  35 -14.346 -12.101   2.043
  282   2HG   LYS  35          HG1       LYS  35 -15.874 -11.221   1.934
  283   1HD   LYS  35          HD2       LYS  35 -15.642 -11.107  -0.493
  284   2HD   LYS  35          HD1       LYS  35 -14.100 -11.957  -0.392
  285   1HE   LYS  35          HE2       LYS  35 -15.186 -13.929   0.454
  286   2HE   LYS  35          HE1       LYS  35 -16.730 -13.084   0.552
  287   1HZ   LYS  35          HZ1       LYS  35 -15.247 -13.559  -1.978
  288   2HZ   LYS  35          HZ2       LYS  35 -16.804 -12.907  -1.818
  289   3HZ   LYS  35          HZ3       LYS  35 -16.517 -14.532  -1.416
  290    H    VAL  36           HN       VAL  36 -11.322  -8.963   2.813
  291    HA   VAL  36           HA       VAL  36 -10.973  -6.570   1.140
  292    HB   VAL  36           HB       VAL  36 -11.603  -6.671   4.092
  293   1HG1  VAL  36          HG11      VAL  36 -11.497  -4.230   4.046
  294   2HG1  VAL  36          HG12      VAL  36 -10.971  -4.277   2.364
  295   3HG1  VAL  36          HG13      VAL  36  -9.938  -4.939   3.631
  296   1HG2  VAL  36          HG21      VAL  36 -13.581  -5.353   3.445
  297   2HG2  VAL  36          HG22      VAL  36 -13.562  -6.956   2.707
  298   3HG2  VAL  36          HG23      VAL  36 -13.127  -5.538   1.751
  299    H    MET  37           HN       MET  37  -8.900  -6.104   0.797
  300    HA   MET  37           HA       MET  37  -6.863  -7.260   2.509
  301   1HB   MET  37          HB2       MET  37  -6.815  -5.718  -0.072
  302   2HB   MET  37          HB1       MET  37  -5.343  -5.929   0.870
  303   1HG   MET  37          HG2       MET  37  -5.552  -8.338   0.696
  304   2HG   MET  37          HG1       MET  37  -7.070  -8.161  -0.180
  305   1HE   MET  37          HE1       MET  37  -3.202  -7.261  -0.294
  306   2HE   MET  37          HE2       MET  37  -4.029  -5.748  -0.665
  307   3HE   MET  37          HE3       MET  37  -3.092  -6.569  -1.914
  308    H    ASP  38           HN       ASP  38  -6.434  -6.324   4.325
  309    HA   ASP  38           HA       ASP  38  -6.804  -3.472   4.688
  310   1HB   ASP  38          HB2       ASP  38  -7.442  -5.204   6.395
  311   2HB   ASP  38          HB1       ASP  38  -5.734  -5.556   6.606
  312    H    LEU  39           HN       LEU  39  -5.279  -2.263   3.831
  313    HA   LEU  39           HA       LEU  39  -2.539  -3.158   3.644
  314   1HB   LEU  39          HB2       LEU  39  -4.023  -0.698   2.756
  315   2HB   LEU  39          HB1       LEU  39  -2.270  -0.732   2.738
  316    HG   LEU  39           HG       LEU  39  -2.203  -2.390   1.080
  317   1HD1  LEU  39          HD11      LEU  39  -5.162  -2.770   1.417
  318   2HD1  LEU  39          HD12      LEU  39  -3.905  -3.898   1.921
  319   3HD1  LEU  39          HD13      LEU  39  -4.151  -3.558   0.206
  320   1HD2  LEU  39          HD21      LEU  39  -2.729  -0.177   0.248
  321   2HD2  LEU  39          HD22      LEU  39  -4.452  -0.497   0.445
  322   3HD2  LEU  39          HD23      LEU  39  -3.517  -1.409  -0.740
  323    H    VAL  40           HN       VAL  40  -1.433  -3.146   5.495
  324    HA   VAL  40           HA       VAL  40  -1.995  -0.963   7.374
  325    HB   VAL  40           HB       VAL  40  -2.863  -3.151   8.105
  326   1HG1  VAL  40          HG11      VAL  40  -1.227  -4.616   7.081
  327   2HG1  VAL  40          HG12      VAL  40  -1.329  -4.912   8.817
  328   3HG1  VAL  40          HG13      VAL  40   0.026  -3.996   8.158
  329   1HG2  VAL  40          HG21      VAL  40  -0.594  -2.090   9.777
  330   2HG2  VAL  40          HG22      VAL  40  -1.914  -3.105  10.358
  331   3HG2  VAL  40          HG23      VAL  40  -2.250  -1.481   9.758
  332    H    HIS  41           HN       HIS  41  -0.347   0.285   7.870
  333    HA   HIS  41           HA       HIS  41   1.678   0.908   8.649
  334   1HB   HIS  41          HB2       HIS  41   1.633  -1.387   9.756
  335   2HB   HIS  41          HB1       HIS  41   2.599  -1.953   8.402
  336    HD1  HIS  41           HD1      HIS  41   2.925  -0.640  11.713
  337    HD2  HIS  41           HD2      HIS  41   5.138  -0.354   8.202
  338    HE1  HIS  41           HE1      HIS  41   5.238   0.042  12.422
  339    HE2  HIS  41           HE2      HIS  41   6.610  -0.041  10.313
  340    H    THR  42           HN       THR  42   2.105   2.126   6.856
  341    HA   THR  42           HA       THR  42   3.819   0.982   4.795
  342    HB   THR  42           HB       THR  42   2.138   2.613   4.047
  343    HG1  THR  42           HG1      THR  42   3.600   3.131   2.647
  344   1HG2  THR  42          HG21      THR  42   1.861   3.956   6.025
  345   2HG2  THR  42          HG22      THR  42   2.382   5.006   4.706
  346   3HG2  THR  42          HG23      THR  42   3.537   4.502   5.943
  347    H    TYR  43           HN       TYR  43   6.003   0.943   5.098
  348    HA   TYR  43           HA       TYR  43   7.137   3.109   6.700
  349   1HB   TYR  43          HB2       TYR  43   6.855   0.843   7.979
  350   2HB   TYR  43          HB1       TYR  43   8.278   0.367   7.050
  351    HD1  TYR  43           HD1      TYR  43   7.109   3.290   9.088
  352    HD2  TYR  43           HD2      TYR  43  10.312   0.714   8.001
  353    HE1  TYR  43           HE1      TYR  43   8.564   4.415  10.724
  354    HE2  TYR  43           HE2      TYR  43  11.776   1.828   9.616
  355    HH   TYR  43           HH       TYR  43  11.946   3.984  10.782
  356    H    VAL  44           HN       VAL  44   9.291   3.597   6.275
  357    HA   VAL  44           HA       VAL  44  10.648   2.437   4.024
  358    HB   VAL  44           HB       VAL  44   8.889   3.724   2.887
  359   1HG1  VAL  44          HG11      VAL  44  10.024   6.124   4.314
  360   2HG1  VAL  44          HG12      VAL  44   8.439   5.400   4.585
  361   3HG1  VAL  44          HG13      VAL  44   8.806   6.164   3.038
  362   1HG2  VAL  44          HG21      VAL  44  10.320   5.108   1.456
  363   2HG2  VAL  44          HG22      VAL  44  11.026   3.526   1.788
  364   3HG2  VAL  44          HG23      VAL  44  11.623   4.953   2.633
  365    HA   PRO  45           HA       PRO  45  14.009   4.273   6.375
  366   1HB   PRO  45          HB2       PRO  45  15.464   4.265   3.794
  367   2HB   PRO  45          HB1       PRO  45  15.899   3.514   5.332
  368   1HG   PRO  45          HG2       PRO  45  15.056   2.048   3.272
  369   2HG   PRO  45          HG1       PRO  45  14.603   1.645   4.938
  370   1HD   PRO  45          HD2       PRO  45  12.995   2.996   2.807
  371   2HD   PRO  45          HD1       PRO  45  12.488   1.789   4.005
  372    H    SER  46           HN       SER  46  15.307   6.190   6.425
  373    HA   SER  46           HA       SER  46  13.932   8.513   5.952
  374   1HB   SER  46          HB2       SER  46  16.936   8.244   6.158
  375   2HB   SER  46          HB1       SER  46  15.978   9.675   6.542
  376    HG   SER  46           HG       SER  46  15.354   8.801   8.380
  377    H    PHE  47           HN       PHE  47  16.264   6.929   3.862
  378    HA   PHE  47           HA       PHE  47  16.809   8.928   2.027
  379   1HB   PHE  47          HB2       PHE  47  17.868   6.674   2.120
  380   2HB   PHE  47          HB1       PHE  47  16.399   5.994   1.426
  381    HD1  PHE  47           HD1      PHE  47  16.288   5.709  -0.857
  382    HD2  PHE  47           HD2      PHE  47  18.961   8.617   0.731
  383    HE1  PHE  47           HE1      PHE  47  17.165   6.133  -3.116
  384    HE2  PHE  47           HE2      PHE  47  19.840   9.048  -1.526
  385    HZ   PHE  47           HZ       PHE  47  18.939   7.806  -3.453
  386    H    LYS  48           HN       LYS  48  13.920   6.949   2.331
  387    HA   LYS  48           HA       LYS  48  12.866   8.243  -0.098
  388   1HB   LYS  48          HB2       LYS  48  12.238   5.435   0.832
  389   2HB   LYS  48          HB1       LYS  48  11.673   6.203  -0.644
  390   1HG   LYS  48          HG2       LYS  48  13.955   6.288  -1.490
  391   2HG   LYS  48          HG1       LYS  48  14.543   5.554   0.002
  392   1HD   LYS  48          HD2       LYS  48  12.548   4.245  -1.838
  393   2HD   LYS  48          HD1       LYS  48  14.291   3.985  -1.932
  394   1HE   LYS  48          HE2       LYS  48  12.709   3.502   0.583
  395   2HE   LYS  48          HE1       LYS  48  12.944   2.256  -0.642
  396   1HZ   LYS  48          HZ1       LYS  48  14.601   2.012   1.058
  397   2HZ   LYS  48          HZ2       LYS  48  15.073   3.634   0.910
  398   3HZ   LYS  48          HZ3       LYS  48  15.362   2.555  -0.360
  399    H    ARG  49           HN       ARG  49  12.621   8.482   3.043
  400    HA   ARG  49           HA       ARG  49   9.861   8.130   3.599
  401   1HB   ARG  49          HB2       ARG  49  12.044   9.717   4.933
  402   2HB   ARG  49          HB1       ARG  49  10.377   9.821   5.484
  403   1HG   ARG  49          HG2       ARG  49  10.339   7.464   5.963
  404   2HG   ARG  49          HG1       ARG  49  11.956   7.271   5.284
  405   1HD   ARG  49          HD2       ARG  49  12.126   7.310   7.674
  406   2HD   ARG  49          HD1       ARG  49  12.821   8.795   7.031
  407    HE   ARG  49           HE       ARG  49  10.482   9.744   7.616
  408   1HH1  ARG  49          HH11      ARG  49  12.224   7.292   9.422
  409   2HH1  ARG  49          HH12      ARG  49  11.539   7.750  10.954
  410   1HH2  ARG  49          HH21      ARG  49   9.590  10.355   9.645
  411   2HH2  ARG  49          HH22      ARG  49  10.059   9.491  11.079
  412    H    GLY  50           HN       GLY  50   8.182   9.273   2.970
  413   1HA   GLY  50          HA2       GLY  50   6.877  11.052   2.326
  414   2HA   GLY  50          HA1       GLY  50   8.197  12.117   2.780
  415    H    LEU  51           HN       LEU  51   9.240   9.758   0.631
  416    HA   LEU  51           HA       LEU  51   9.472  11.742  -1.471
  417   1HB   LEU  51          HB2       LEU  51  11.372  10.281  -0.791
  418   2HB   LEU  51          HB1       LEU  51  10.476   8.897  -1.391
  419    HG   LEU  51           HG       LEU  51  10.535   9.858  -3.663
  420   1HD1  LEU  51          HD11      LEU  51  12.277  11.969  -2.396
  421   2HD1  LEU  51          HD12      LEU  51  10.665  12.216  -3.070
  422   3HD1  LEU  51          HD13      LEU  51  12.003  11.761  -4.126
  423   1HD2  LEU  51          HD21      LEU  51  12.250   8.274  -2.954
  424   2HD2  LEU  51          HD22      LEU  51  13.238   9.607  -2.351
  425   3HD2  LEU  51          HD23      LEU  51  12.904   9.465  -4.076
  426    H    GLY  52           HN       GLY  52   7.782   8.735  -0.840
  427   1HA   GLY  52          HA2       GLY  52   5.568   8.846  -2.178
  428   2HA   GLY  52          HA1       GLY  52   6.659   8.799  -3.554
  429    H    LEU  53           HN       LEU  53   8.495   6.981  -2.074
  430    HA   LEU  53           HA       LEU  53   7.673   4.570  -3.161
  431   1HB   LEU  53          HB2       LEU  53   9.990   5.199  -2.443
  432   2HB   LEU  53          HB1       LEU  53   9.507   4.905  -0.787
  433    HG   LEU  53           HG       LEU  53  10.829   3.078  -2.034
  434   1HD1  LEU  53          HD11      LEU  53   8.255   2.337  -0.655
  435   2HD1  LEU  53          HD12      LEU  53   9.772   2.748   0.147
  436   3HD1  LEU  53          HD13      LEU  53   9.671   1.302  -0.857
  437   1HD2  LEU  53          HD21      LEU  53   8.080   2.569  -3.160
  438   2HD2  LEU  53          HD22      LEU  53   9.483   1.508  -3.316
  439   3HD2  LEU  53          HD23      LEU  53   9.491   3.100  -4.076
  440    H    ALA  54           HN       ALA  54   7.303   5.715   0.172
  441    HA   ALA  54           HA       ALA  54   6.180   3.460   1.325
  442   1HB   ALA  54          HB1       ALA  54   6.857   5.448   2.582
  443   2HB   ALA  54          HB2       ALA  54   5.200   4.980   2.962
  444   3HB   ALA  54          HB3       ALA  54   5.506   6.344   1.889
  445    H    SER  55           HN       SER  55   4.552   6.122  -0.361
  446    HA   SER  55           HA       SER  55   1.948   5.074  -0.182
  447   1HB   SER  55          HB2       SER  55   3.024   6.934  -2.310
  448   2HB   SER  55          HB1       SER  55   1.358   6.804  -1.740
  449    HG   SER  55           HG       SER  55   1.941   8.347  -0.430
  450    H    HIS  56           HN       HIS  56   4.562   4.624  -2.493
  451    HA   HIS  56           HA       HIS  56   3.031   3.320  -4.485
  452   1HB   HIS  56          HB2       HIS  56   5.935   3.598  -3.919
  453   2HB   HIS  56          HB1       HIS  56   5.445   2.243  -4.932
  454    HD1  HIS  56           HD1      HIS  56   4.936   2.720  -7.322
  455    HD2  HIS  56           HD2      HIS  56   5.157   6.178  -5.020
  456    HE1  HIS  56           HE1      HIS  56   4.779   4.629  -8.951
  457    HE2  HIS  56           HE2      HIS  56   4.623   6.686  -7.508
  458    H    LEU  57           HN       LEU  57   4.505   2.232  -1.521
  459    HA   LEU  57           HA       LEU  57   4.285  -0.548  -1.964
  460   1HB   LEU  57          HB2       LEU  57   4.051   0.987   0.638
  461   2HB   LEU  57          HB1       LEU  57   4.325  -0.739   0.490
  462    HG   LEU  57           HG       LEU  57   6.247   1.312  -0.600
  463   1HD1  LEU  57          HD11      LEU  57   6.044   1.637   1.806
  464   2HD1  LEU  57          HD12      LEU  57   7.597   0.907   1.399
  465   3HD1  LEU  57          HD13      LEU  57   6.306  -0.088   2.072
  466   1HD2  LEU  57          HD21      LEU  57   7.810  -0.559  -0.581
  467   2HD2  LEU  57          HD22      LEU  57   6.397  -0.933  -1.565
  468   3HD2  LEU  57          HD23      LEU  57   6.551  -1.618   0.053
  469    H    CYS  58           HN       CYS  58   2.080   1.877  -0.684
  470    HA   CYS  58           HA       CYS  58  -0.092   0.133  -0.163
  471   1HB   CYS  58          HB2       CYS  58   0.063   2.400   0.800
  472   2HB   CYS  58          HB1       CYS  58  -0.129   3.093  -0.812
  473    HG   CYS  58           HG       CYS  58  -2.722   1.517  -0.887
  474    H    VAL  59           HN       VAL  59   0.865   2.010  -2.994
  475    HA   VAL  59           HA       VAL  59  -1.414   1.515  -4.570
  476    HB   VAL  59           HB       VAL  59   1.434   2.079  -5.415
  477   1HG1  VAL  59          HG11      VAL  59  -1.092   2.189  -7.065
  478   2HG1  VAL  59          HG12      VAL  59   0.198   0.998  -7.234
  479   3HG1  VAL  59          HG13      VAL  59   0.512   2.697  -7.595
  480   1HG2  VAL  59          HG21      VAL  59   0.608   4.354  -5.775
  481   2HG2  VAL  59          HG22      VAL  59   0.425   3.851  -4.094
  482   3HG2  VAL  59          HG23      VAL  59  -0.975   3.871  -5.167
  483    H    ALA  60           HN       ALA  60   1.603  -0.289  -4.159
  484    HA   ALA  60           HA       ALA  60   1.115  -2.210  -6.173
  485   1HB   ALA  60          HB1       ALA  60   2.841  -3.542  -5.072
  486   2HB   ALA  60          HB2       ALA  60   2.757  -2.497  -3.653
  487   3HB   ALA  60          HB3       ALA  60   3.334  -1.852  -5.190
  488    H    ALA  61           HN       ALA  61  -0.041  -1.913  -2.869
  489    HA   ALA  61           HA       ALA  61  -1.063  -4.581  -2.771
  490   1HB   ALA  61          HB1       ALA  61  -0.578  -3.341  -0.733
  491   2HB   ALA  61          HB2       ALA  61  -2.276  -3.816  -0.797
  492   3HB   ALA  61          HB3       ALA  61  -1.811  -2.153  -1.153
  493    H    PHE  62           HN       PHE  62  -2.256  -1.414  -3.740
  494    HA   PHE  62           HA       PHE  62  -4.919  -2.118  -4.280
  495   1HB   PHE  62          HB2       PHE  62  -3.111  -0.047  -5.521
  496   2HB   PHE  62          HB1       PHE  62  -4.782  -0.256  -6.024
  497    HD1  PHE  62           HD1      PHE  62  -6.250  -0.610  -3.604
  498    HD2  PHE  62           HD2      PHE  62  -2.918   1.930  -4.356
  499    HE1  PHE  62           HE1      PHE  62  -7.007   0.915  -1.823
  500    HE2  PHE  62           HE2      PHE  62  -3.675   3.462  -2.580
  501    HZ   PHE  62           HZ       PHE  62  -5.717   2.943  -1.306
  502    H    GLU  63           HN       GLU  63  -2.038  -2.149  -6.349
  503    HA   GLU  63           HA       GLU  63  -3.143  -3.084  -8.711
  504   1HB   GLU  63          HB2       GLU  63  -0.464  -3.876  -7.541
  505   2HB   GLU  63          HB1       GLU  63  -0.926  -3.998  -9.233
  506   1HG   GLU  63          HG2       GLU  63  -1.180  -1.525  -9.268
  507   2HG   GLU  63          HG1       GLU  63  -0.546  -1.480  -7.629
  508    H    HIS  64           HN       HIS  64  -2.175  -4.839  -5.843
  509    HA   HIS  64           HA       HIS  64  -2.391  -7.439  -6.973
  510   1HB   HIS  64          HB2       HIS  64  -0.995  -6.769  -4.994
  511   2HB   HIS  64          HB1       HIS  64  -2.475  -6.652  -4.055
  512    HD1  HIS  64           HD1      HIS  64   0.059  -9.020  -5.251
  513    HD2  HIS  64           HD2      HIS  64  -3.776  -9.230  -3.649
  514    HE1  HIS  64           HE1      HIS  64  -0.237 -11.406  -4.499
  515    HE2  HIS  64           HE2      HIS  64  -2.634 -11.554  -3.734
  516    H    ALA  65           HN       ALA  65  -4.488  -5.515  -4.844
  517    HA   ALA  65           HA       ALA  65  -6.479  -7.525  -4.598
  518   1HB   ALA  65          HB1       ALA  65  -7.855  -5.777  -3.601
  519   2HB   ALA  65          HB2       ALA  65  -6.687  -4.561  -4.116
  520   3HB   ALA  65          HB3       ALA  65  -6.225  -5.780  -2.930
  521    H    SER  66           HN       SER  66  -6.391  -4.487  -6.473
  522    HA   SER  66           HA       SER  66  -8.841  -4.680  -7.723
  523   1HB   SER  66          HB2       SER  66  -6.310  -3.736  -9.093
  524   2HB   SER  66          HB1       SER  66  -7.964  -3.243  -9.459
  525    HG   SER  66           HG       SER  66  -6.324  -2.562  -7.293
  526    H    SER  67           HN       SER  67  -5.778  -6.119  -8.797
  527    HA   SER  67           HA       SER  67  -6.781  -7.174 -11.221
  528   1HB   SER  67          HB2       SER  67  -4.379  -6.739 -10.719
  529   2HB   SER  67          HB1       SER  67  -4.395  -8.106  -9.608
  530    HG   SER  67           HG       SER  67  -5.347  -8.671 -12.143
  531    H    HIS  68           HN       HIS  68  -6.824  -8.354  -7.940
  532    HA   HIS  68           HA       HIS  68  -7.653 -11.015  -8.871
  533   1HB   HIS  68          HB2       HIS  68  -5.798 -10.636  -7.101
  534   2HB   HIS  68          HB1       HIS  68  -7.123 -10.275  -6.000
  535    HD1  HIS  68           HD1      HIS  68  -8.684 -12.274  -5.324
  536    HD2  HIS  68           HD2      HIS  68  -5.482 -13.320  -7.768
  537    HE1  HIS  68           HE1      HIS  68  -8.508 -14.773  -5.175
  538    HE2  HIS  68           HE2      HIS  68  -6.504 -15.384  -6.576
  539    H    SER  69           HN       SER  69  -9.143  -8.257  -8.445
  540    HA   SER  69           HA       SER  69 -11.257  -7.575  -7.981
  541   1HB   SER  69          HB2       SER  69 -11.968 -10.516  -7.841
  542   2HB   SER  69          HB1       SER  69 -13.049  -9.170  -8.206
  543    HG   SER  69           HG       SER  69 -11.869  -8.824 -10.134
  544    H    ILE  70           HN       ILE  70  -9.731  -7.350  -5.848
  545    HA   ILE  70           HA       ILE  70 -11.324  -8.420  -3.613
  546    HB   ILE  70           HB       ILE  70  -8.402  -7.639  -3.481
  547   1HG1  ILE  70          HG12      ILE  70  -9.603 -10.413  -3.675
  548   2HG1  ILE  70          HG11      ILE  70  -8.709  -9.598  -4.952
  549   1HG2  ILE  70          HG21      ILE  70 -10.146  -9.172  -1.555
  550   2HG2  ILE  70          HG22      ILE  70  -9.596  -7.509  -1.355
  551   3HG2  ILE  70          HG23      ILE  70  -8.428  -8.832  -1.345
  552   1HD1  ILE  70          HD11      ILE  70  -7.345 -11.245  -3.778
  553   2HD1  ILE  70          HD12      ILE  70  -7.594 -10.371  -2.267
  554   3HD1  ILE  70          HD13      ILE  70  -6.703  -9.613  -3.587
  555    H    SER  71           HN       SER  71 -11.679  -7.006  -1.822
  556    HA   SER  71           HA       SER  71 -11.618  -4.170  -2.514
  557   1HB   SER  71          HB2       SER  71 -12.826  -5.523  -0.082
  558   2HB   SER  71          HB1       SER  71 -13.131  -3.877  -0.640
  559    HG   SER  71           HG       SER  71 -13.618  -5.606  -2.632
  560    H    ILE  72           HN       ILE  72 -10.989  -2.653  -0.595
  561    HA   ILE  72           HA       ILE  72  -8.740  -3.775   0.922
  562    HB   ILE  72           HB       ILE  72  -8.502  -1.516  -1.080
  563   1HG1  ILE  72          HG12      ILE  72  -7.176  -4.201  -0.782
  564   2HG1  ILE  72          HG11      ILE  72  -8.100  -3.587  -2.152
  565   1HG2  ILE  72          HG21      ILE  72  -6.209  -1.166  -0.307
  566   2HG2  ILE  72          HG22      ILE  72  -6.500  -2.280   1.031
  567   3HG2  ILE  72          HG23      ILE  72  -7.403  -0.767   0.930
  568   1HD1  ILE  72          HD11      ILE  72  -6.329  -1.988  -2.634
  569   2HD1  ILE  72          HD12      ILE  72  -5.736  -3.646  -2.658
  570   3HD1  ILE  72          HD13      ILE  72  -5.395  -2.607  -1.273
  571    H    ILE  73           HN       ILE  73  -8.112  -2.584   2.705
  572    HA   ILE  73           HA       ILE  73  -9.465  -0.043   3.337
  573    HB   ILE  73           HB       ILE  73  -9.262  -2.456   5.166
  574   1HG1  ILE  73          HG12      ILE  73 -11.260  -2.338   3.738
  575   2HG1  ILE  73          HG11      ILE  73 -11.670  -2.146   5.442
  576   1HG2  ILE  73          HG21      ILE  73  -8.472  -0.520   6.398
  577   2HG2  ILE  73          HG22      ILE  73 -10.060  -1.020   6.985
  578   3HG2  ILE  73          HG23      ILE  73  -9.914   0.386   5.933
  579   1HD1  ILE  73          HD11      ILE  73 -12.943  -0.622   4.044
  580   2HD1  ILE  73          HD12      ILE  73 -11.446   0.069   3.417
  581   3HD1  ILE  73          HD13      ILE  73 -11.862   0.266   5.120
  582    HA   PRO  74           HA       PRO  74  -5.010   0.280   3.999
  583   1HB   PRO  74          HB2       PRO  74  -5.005   3.028   3.421
  584   2HB   PRO  74          HB1       PRO  74  -4.681   1.711   2.294
  585   1HG   PRO  74          HG2       PRO  74  -6.898   3.464   2.267
  586   2HG   PRO  74          HG1       PRO  74  -6.667   2.020   1.272
  587   1HD   PRO  74          HD2       PRO  74  -8.285   2.385   3.732
  588   2HD   PRO  74          HD1       PRO  74  -8.511   1.252   2.383
  589    H    SER  75           HN       SER  75  -4.788   0.048   6.206
  590    HA   SER  75           HA       SER  75  -5.359   2.127   8.091
  591   1HB   SER  75          HB2       SER  75  -5.087  -0.257   8.747
  592   2HB   SER  75          HB1       SER  75  -3.391  -0.179   8.271
  593    HG   SER  75           HG       SER  75  -4.108   1.805  10.013
  594    H    CYS  76           HN       CYS  76  -2.915   1.405   5.847
  595    HA   CYS  76           HA       CYS  76  -0.856   3.136   6.557
  596   1HB   CYS  76          HB2       CYS  76  -1.728   2.383   3.768
  597   2HB   CYS  76          HB1       CYS  76  -0.172   3.050   4.235
  598    HG   CYS  76           HG       CYS  76  -0.327   0.144   3.686
  599    H    SER  77           HN       SER  77  -3.601   4.331   6.816
  600    HA   SER  77           HA       SER  77  -4.452   5.940   4.784
  601   1HB   SER  77          HB2       SER  77  -4.651   6.527   7.738
  602   2HB   SER  77          HB1       SER  77  -5.692   7.184   6.478
  603    HG   SER  77           HG       SER  77  -5.713   4.564   6.185
  604    H    TYR  78           HN       TYR  78  -1.507   6.583   6.513
  605    HA   TYR  78           HA       TYR  78  -1.263   9.329   6.003
  606   1HB   TYR  78          HB2       TYR  78   0.734   8.691   6.898
  607   2HB   TYR  78          HB1       TYR  78   0.585   7.051   6.279
  608    HD1  TYR  78           HD1      TYR  78   1.564  10.501   5.329
  609    HD2  TYR  78           HD2      TYR  78   1.843   6.363   4.375
  610    HE1  TYR  78           HE1      TYR  78   3.312  11.012   3.681
  611    HE2  TYR  78           HE2      TYR  78   3.593   6.865   2.718
  612    HH   TYR  78           HH       TYR  78   5.235   9.769   2.603
  613    H    VAL  79           HN       VAL  79  -0.709   6.539   3.894
  614    HA   VAL  79           HA       VAL  79  -0.336   7.953   1.476
  615    HB   VAL  79           HB       VAL  79  -1.470   5.175   1.880
  616   1HG1  VAL  79          HG11      VAL  79  -0.697   4.734  -0.390
  617   2HG1  VAL  79          HG12      VAL  79  -0.153   6.406  -0.538
  618   3HG1  VAL  79          HG13      VAL  79  -1.870   6.051  -0.359
  619   1HG2  VAL  79          HG21      VAL  79   0.682   5.370   2.969
  620   2HG2  VAL  79          HG22      VAL  79   1.390   6.057   1.507
  621   3HG2  VAL  79          HG23      VAL  79   0.829   4.385   1.514
  622    H    SER  80           HN       SER  80  -3.149   6.578   3.077
  623    HA   SER  80           HA       SER  80  -5.011   6.878   1.019
  624   1HB   SER  80          HB2       SER  80  -5.343   5.543   3.097
  625   2HB   SER  80          HB1       SER  80  -5.530   7.045   3.997
  626    HG   SER  80           HG       SER  80  -7.185   7.158   1.947
  627    H    ASP  81           HN       ASP  81  -4.046   9.121   3.550
  628    HA   ASP  81           HA       ASP  81  -6.114  11.017   3.149
  629   1HB   ASP  81          HB2       ASP  81  -4.991  11.014   5.252
  630   2HB   ASP  81          HB1       ASP  81  -3.406  11.134   4.502
  631    H    THR  82           HN       THR  82  -2.679  11.011   2.151
  632    HA   THR  82           HA       THR  82  -3.119  13.424   0.610
  633    HB   THR  82           HB       THR  82  -1.065  13.356   1.850
  634    HG1  THR  82           HG1      THR  82  -0.707  14.459   0.015
  635   1HG2  THR  82          HG21      THR  82  -0.720  10.953   2.018
  636   2HG2  THR  82          HG22      THR  82   0.722  11.725   1.358
  637   3HG2  THR  82          HG23      THR  82  -0.384  10.858   0.290
  638    H    PHE  83           HN       PHE  83  -2.122  10.075  -0.051
  639    HA   PHE  83           HA       PHE  83  -1.568  10.647  -2.788
  640   1HB   PHE  83          HB2       PHE  83  -0.674   8.779  -1.084
  641   2HB   PHE  83          HB1       PHE  83  -1.902   7.839  -1.924
  642    HD1  PHE  83           HD1      PHE  83  -0.960   6.465  -3.488
  643    HD2  PHE  83           HD2      PHE  83   0.575  10.408  -3.036
  644    HE1  PHE  83           HE1      PHE  83   0.593   6.063  -5.349
  645    HE2  PHE  83           HE2      PHE  83   2.138  10.008  -4.898
  646    HZ   PHE  83           HZ       PHE  83   2.160   7.868  -6.052
  647    H    LEU  84           HN       LEU  84  -4.307   9.200  -1.075
  648    HA   LEU  84           HA       LEU  84  -5.436   8.040  -3.404
  649   1HB   LEU  84          HB2       LEU  84  -6.380   8.578  -0.657
  650   2HB   LEU  84          HB1       LEU  84  -7.596   8.265  -1.884
  651    HG   LEU  84           HG       LEU  84  -5.252   6.432  -1.353
  652   1HD1  LEU  84          HD11      LEU  84  -6.858   5.008  -0.179
  653   2HD1  LEU  84          HD12      LEU  84  -8.082   6.269  -0.337
  654   3HD1  LEU  84          HD13      LEU  84  -6.637   6.559   0.631
  655   1HD2  LEU  84          HD21      LEU  84  -6.613   4.810  -2.598
  656   2HD2  LEU  84          HD22      LEU  84  -6.230   6.226  -3.579
  657   3HD2  LEU  84          HD23      LEU  84  -7.837   6.051  -2.873
  658    HA   PRO  85           HA       PRO  85  -7.944  12.230  -3.784
  659   1HB   PRO  85          HB2       PRO  85  -5.769  13.962  -2.747
  660   2HB   PRO  85          HB1       PRO  85  -7.520  14.167  -2.625
  661   1HG   PRO  85          HG2       PRO  85  -6.064  13.403  -0.529
  662   2HG   PRO  85          HG1       PRO  85  -7.686  12.743  -0.816
  663   1HD   PRO  85          HD2       PRO  85  -5.012  11.483  -1.268
  664   2HD   PRO  85          HD1       PRO  85  -6.536  10.751  -0.719
  665    H    ARG  86           HN       ARG  86  -4.443  11.816  -3.896
  666    HA   ARG  86           HA       ARG  86  -4.050  13.399  -6.239
  667   1HB   ARG  86          HB2       ARG  86  -2.294  11.265  -5.020
  668   2HB   ARG  86          HB1       ARG  86  -1.805  12.354  -6.312
  669   1HG   ARG  86          HG2       ARG  86  -2.230  14.263  -4.776
  670   2HG   ARG  86          HG1       ARG  86  -2.528  13.091  -3.489
  671   1HD   ARG  86          HD2       ARG  86  -0.257  13.798  -3.300
  672   2HD   ARG  86          HD1       ARG  86  -0.256  12.149  -3.936
  673    HE   ARG  86           HE       ARG  86  -0.239  13.992  -6.073
  674   1HH1  ARG  86          HH11      ARG  86   1.882  12.786  -3.555
  675   2HH1  ARG  86          HH12      ARG  86   3.334  13.069  -4.467
  676   1HH2  ARG  86          HH21      ARG  86   1.630  14.361  -7.268
  677   2HH2  ARG  86          HH22      ARG  86   3.188  13.959  -6.607
  678    H    ASN  87           HN       ASN  87  -4.598   9.956  -5.666
  679    HA   ASN  87           HA       ASN  87  -5.336   9.743  -8.472
  680   1HB   ASN  87          HB2       ASN  87  -4.082   7.761  -8.948
  681   2HB   ASN  87          HB1       ASN  87  -2.966   8.962  -8.322
  682   1HD2  ASN  87          HD21      ASN  87  -3.429   8.607  -5.558
  683   2HD2  ASN  87          HD22      ASN  87  -2.853   7.040  -5.124
  684    HA   PRO  88           HA       PRO  88  -8.422   7.873  -5.700
  685   1HB   PRO  88          HB2       PRO  88 -10.456   9.287  -7.117
  686   2HB   PRO  88          HB1       PRO  88  -9.812   9.638  -5.515
  687   1HG   PRO  88          HG2       PRO  88  -9.499  11.249  -7.742
  688   2HG   PRO  88          HG1       PRO  88  -8.485  11.304  -6.292
  689   1HD   PRO  88          HD2       PRO  88  -7.962   9.990  -8.922
  690   2HD   PRO  88          HD1       PRO  88  -6.841  10.840  -7.835
  691    H    SER  89           HN       SER  89  -7.499   6.155  -7.470
  692    HA   SER  89           HA       SER  89  -9.776   5.454  -9.213
  693   1HB   SER  89          HB2       SER  89  -6.881   4.599  -9.470
  694   2HB   SER  89          HB1       SER  89  -8.178   4.265 -10.618
  695    HG   SER  89           HG       SER  89  -8.367   6.704 -10.631
  696    H    TRP  90           HN       TRP  90  -9.249   4.852  -6.299
  697    HA   TRP  90           HA       TRP  90  -9.201   1.914  -6.479
  698   1HB   TRP  90          HB2       TRP  90  -8.070   3.480  -4.168
  699   2HB   TRP  90          HB1       TRP  90  -7.844   1.774  -4.542
  700    HD1  TRP  90           HD1      TRP  90  -6.110   4.973  -4.830
  701    HE1  TRP  90           HE1      TRP  90  -4.154   4.844  -6.494
  702    HE3  TRP  90           HE3      TRP  90  -7.296   0.555  -7.118
  703    HZ2  TRP  90           HZ2      TRP  90  -3.238   3.094  -8.520
  704    HZ3  TRP  90           HZ3      TRP  90  -5.830  -0.272  -8.912
  705    HH2  TRP  90           HH2      TRP  90  -3.844   0.972  -9.598
  706    H    LYS  91           HN       LYS  91 -11.238   4.341  -5.924
  707    HA   LYS  91           HA       LYS  91 -12.414   3.868  -3.442
  708   1HB   LYS  91          HB2       LYS  91 -13.562   4.884  -6.022
  709   2HB   LYS  91          HB1       LYS  91 -14.547   4.711  -4.576
  710   1HG   LYS  91          HG2       LYS  91 -12.882   6.181  -3.396
  711   2HG   LYS  91          HG1       LYS  91 -12.164   6.497  -4.978
  712   1HD   LYS  91          HD2       LYS  91 -14.268   7.379  -5.792
  713   2HD   LYS  91          HD1       LYS  91 -15.051   6.989  -4.261
  714   1HE   LYS  91          HE2       LYS  91 -14.531   9.341  -4.325
  715   2HE   LYS  91          HE1       LYS  91 -13.520   8.548  -3.118
  716   1HZ   LYS  91          HZ1       LYS  91 -12.339  10.168  -4.554
  717   2HZ   LYS  91          HZ2       LYS  91 -12.622   9.148  -5.883
  718   3HZ   LYS  91          HZ3       LYS  91 -11.668   8.611  -4.585
  719    HA   PRO  92           HA       PRO  92 -15.199   0.488  -5.785
  720   1HB   PRO  92          HB2       PRO  92 -13.469  -1.040  -7.353
  721   2HB   PRO  92          HB1       PRO  92 -14.708   0.068  -7.952
  722   1HG   PRO  92          HG2       PRO  92 -11.783   0.518  -7.577
  723   2HG   PRO  92          HG1       PRO  92 -12.849   1.077  -8.879
  724   1HD   PRO  92          HD2       PRO  92 -12.072   2.748  -6.961
  725   2HD   PRO  92          HD1       PRO  92 -13.737   2.799  -7.578
  726    H    LEU  93           HN       LEU  93 -11.954   0.469  -4.588
  727    HA   LEU  93           HA       LEU  93 -12.226  -2.289  -3.598
  728   1HB   LEU  93          HB2       LEU  93  -9.803  -0.554  -3.261
  729   2HB   LEU  93          HB1       LEU  93  -9.904  -2.304  -3.306
  730    HG   LEU  93           HG       LEU  93 -10.417  -0.564  -5.704
  731   1HD1  LEU  93          HD11      LEU  93  -8.137  -0.214  -4.890
  732   2HD1  LEU  93          HD12      LEU  93  -8.142  -1.119  -6.403
  733   3HD1  LEU  93          HD13      LEU  93  -7.870  -1.959  -4.875
  734   1HD2  LEU  93          HD21      LEU  93  -9.816  -3.509  -5.405
  735   2HD2  LEU  93          HD22      LEU  93 -10.016  -2.649  -6.934
  736   3HD2  LEU  93          HD23      LEU  93 -11.378  -2.802  -5.823
  737    H    ILE  94           HN       ILE  94 -11.522   1.003  -2.563
  738    HA   ILE  94           HA       ILE  94 -11.627   0.129   0.247
  739    HB   ILE  94           HB       ILE  94 -10.234   2.064   0.754
  740   1HG1  ILE  94          HG12      ILE  94 -10.380   2.581  -2.223
  741   2HG1  ILE  94          HG11      ILE  94 -11.022   3.608  -0.945
  742   1HG2  ILE  94          HG21      ILE  94  -8.187   1.349  -0.315
  743   2HG2  ILE  94          HG22      ILE  94  -9.103   0.497  -1.557
  744   3HG2  ILE  94          HG23      ILE  94  -9.164  -0.055   0.117
  745   1HD1  ILE  94          HD11      ILE  94  -8.764   4.012  -0.140
  746   2HD1  ILE  94          HD12      ILE  94  -8.959   4.498  -1.825
  747   3HD1  ILE  94          HD13      ILE  94  -8.128   2.992  -1.429
  748    H    HIS  95           HN       HIS  95 -11.692   2.712   1.315
  749    HA   HIS  95           HA       HIS  95 -14.430   3.472   0.887
  750   1HB   HIS  95          HB2       HIS  95 -13.765   5.277   2.670
  751   2HB   HIS  95          HB1       HIS  95 -14.002   3.602   3.130
  752    HD1  HIS  95           HD1      HIS  95 -11.641   6.313   3.468
  753    HD2  HIS  95           HD2      HIS  95 -11.486   2.159   3.471
  754    HE1  HIS  95           HE1      HIS  95  -9.484   5.710   4.606
  755    HE2  HIS  95           HE2      HIS  95  -9.583   3.213   4.870
  756    H    SER  96           HN       SER  96 -12.002   6.027   1.375
  757    HA   SER  96           HA       SER  96 -11.934   6.626  -1.456
  758   1HB   SER  96          HB2       SER  96 -13.264   8.545   0.475
  759   2HB   SER  96          HB1       SER  96 -12.819   8.933  -1.185
  760    HG   SER  96           HG       SER  96 -14.267   6.650  -1.087
  761    H    GLU  97           HN       GLU  97 -11.380   8.185   1.700
  762    HA   GLU  97           HA       GLU  97  -8.591   8.646   1.015
  763   1HB   GLU  97          HB2       GLU  97  -9.891  10.622   0.190
  764   2HB   GLU  97          HB1       GLU  97 -10.475  10.887   1.830
  765   1HG   GLU  97          HG2       GLU  97  -7.965  11.048   2.431
  766   2HG   GLU  97          HG1       GLU  97  -7.735  11.280   0.697
  767    H    VAL  98           HN       VAL  98  -8.370  10.461   3.400
  768    HA   VAL  98           HA       VAL  98  -7.946   8.413   5.281
  769    HB   VAL  98           HB       VAL  98  -6.620  10.467   5.286
  770   1HG1  VAL  98          HG11      VAL  98  -9.105  11.825   6.310
  771   2HG1  VAL  98          HG12      VAL  98  -8.336  12.086   4.743
  772   3HG1  VAL  98          HG13      VAL  98  -7.495  12.544   6.223
  773   1HG2  VAL  98          HG21      VAL  98  -6.668   9.134   7.309
  774   2HG2  VAL  98          HG22      VAL  98  -8.100   9.995   7.870
  775   3HG2  VAL  98          HG23      VAL  98  -6.565  10.847   7.715
  776    H    PHE  99           HN       PHE  99 -10.789  10.337   4.620
  777    HA   PHE  99           HA       PHE  99 -12.322   8.684   6.365
  778   1HB   PHE  99          HB2       PHE  99 -11.335  10.253   8.022
  779   2HB   PHE  99          HB1       PHE  99 -12.106  11.590   7.176
  780    HD1  PHE  99           HD1      PHE  99 -12.760   8.505   9.095
  781    HD2  PHE  99           HD2      PHE  99 -14.367  12.139   7.574
  782    HE1  PHE  99           HE1      PHE  99 -14.794   8.165  10.436
  783    HE2  PHE  99           HE2      PHE  99 -16.401  11.808   8.915
  784    HZ   PHE  99           HZ       PHE  99 -16.617   9.815  10.346
  785    H    LYS 100           HN       LYS 100 -12.117  11.416   4.182
  786    HA   LYS 100           HA       LYS 100 -14.915  11.986   4.252
  787   1HB   LYS 100          HB2       LYS 100 -14.490  13.538   2.425
  788   2HB   LYS 100          HB1       LYS 100 -13.295  13.725   3.694
  789   1HG   LYS 100          HG2       LYS 100 -11.947  13.834   1.876
  790   2HG   LYS 100          HG1       LYS 100 -11.910  12.093   2.151
  791   1HD   LYS 100          HD2       LYS 100 -13.632  11.770   0.461
  792   2HD   LYS 100          HD1       LYS 100 -13.745  13.514   0.218
  793   1HE   LYS 100          HE2       LYS 100 -11.241  11.897  -0.233
  794   2HE   LYS 100          HE1       LYS 100 -12.393  12.312  -1.504
  795   1HZ   LYS 100          HZ1       LYS 100 -11.757  14.484  -1.504
  796   2HZ   LYS 100          HZ2       LYS 100 -10.290  13.783  -1.019
  797   3HZ   LYS 100          HZ3       LYS 100 -11.307  14.488   0.134
  798    H    SER 101           HN       SER 101 -16.517  11.554   2.812
  799    HA   SER 101           HA       SER 101 -17.628  10.731   1.021
  800   1HB   SER 101          HB2       SER 101 -14.855  10.076   0.041
  801   2HB   SER 101          HB1       SER 101 -16.320   9.769  -0.905
  802    HG   SER 101           HG       SER 101 -16.582  12.220  -0.121
  803    H    SER 102           HN       SER 102 -16.361   9.016   3.375
  804    HA   SER 102           HA       SER 102 -17.583   6.556   2.327
  805   1HB   SER 102          HB2       SER 102 -16.191   5.433   4.210
  806   2HB   SER 102          HB1       SER 102 -15.381   5.896   2.715
  807    HG   SER 102           HG       SER 102 -15.189   6.991   5.281
  808    H    ILE 103           HN       ILE 103 -19.566   6.420   3.076
  809    HA   ILE 103           HA       ILE 103 -20.039   6.704   5.928
  810    HB   ILE 103           HB       ILE 103 -20.522   8.931   5.263
  811   1HG1  ILE 103          HG12      ILE 103 -23.118   7.390   5.430
  812   2HG1  ILE 103          HG11      ILE 103 -22.153   7.942   6.794
  813   1HG2  ILE 103          HG21      ILE 103 -22.077   9.508   3.451
  814   2HG2  ILE 103          HG22      ILE 103 -22.192   7.800   3.028
  815   3HG2  ILE 103          HG23      ILE 103 -20.652   8.644   2.873
  816   1HD1  ILE 103          HD11      ILE 103 -24.081   9.373   6.425
  817   2HD1  ILE 103          HD12      ILE 103 -23.527   9.712   4.786
  818   3HD1  ILE 103          HD13      ILE 103 -22.575  10.253   6.169