*HEADER    CYTOKINE                                20-NOV-03   1RJT              
*TITLE     NMR STRUCTURE OF CXC CHEMOKINE CXCL11/ITAC                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SMALL INDUCIBLE CYTOKINE B11;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CXCL11, INTERFERON-INDUCIBLE T-CELL ALPHA                   
*COMPND   5 CHEMOATTRACTANT, I-TAC, INTERFERON-GAMMA-INDUCIBLE PROTEIN-          
*COMPND   6 9, IP-9, H174, BETA-R1;                                              
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED WITH N15 ISOTOPE LABELS ON ALL            
*SOURCE   4 LEUCINE AND VALINE RESIDUES. SEQUENCE IS NATURALLY FOUND             
*SOURCE   5 IN HOMO SAPIENS (HUMAN).                                             
*KEYWDS    CHEMOKINE                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    V.BOOTH, I.CLARK-LEWIS, B.D.SYKES                                     
*REVDAT   1   13-APR-04 1RJT    0                                                

 ASSI {    9}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.900     1.900     1.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.97073E-03 ppm1      9.412 ppm2      0.860 CV     1
 ASSI {   16}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.24490E-02 ppm1      9.412 ppm2      2.038 CV     1
 ASSI {   19}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.900     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.18764E-02 ppm1      9.407 ppm2      1.425 CV     1
 ASSI {   20}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      9.248 ppm2      3.626 CV     1
 ASSI {   24}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.200     1.200     1.200 peak    24 spectrum    1 weight  0.10000E+01 volume  0.86062E-03 ppm1      9.252 ppm2      1.307 CV     1
 ASSI {   29}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.67627E-03 ppm1      9.248 ppm2      4.990 CV     1
 ASSI {   32}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.200     1.300     1.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.16730E-02 ppm1      9.251 ppm2      0.687 CV     1
 ASSI {   33}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.900     1.900     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      9.250 ppm2      0.862 CV     1
 ASSI {   35}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.20811E-02 ppm1      9.251 ppm2      7.744 CV     1
 ASSI {   36}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.22910E-02 ppm1      9.248 ppm2      1.776 CV     1
 OR {   36}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {   48}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.700     1.700     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.89294E-03 ppm1      9.132 ppm2      1.845 CV     1
 ASSI {   49}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.16945E-02 ppm1      9.169 ppm2      2.201 CV     1
 ASSI {   51}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.800     1.000     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.22048E-02 ppm1      9.071 ppm2      2.120 CV     1
 OR {   51}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {   52}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.500     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.10996E-02 ppm1      9.169 ppm2      2.320 CV     1
 ASSI {   54}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.700     1.700     1.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.77642E-03 ppm1      9.172 ppm2      2.043 CV     1
 ASSI {   58}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.31552E-02 ppm1      9.169 ppm2      1.446 CV     1
 ASSI {   59}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.97153E-03 ppm1      9.176 ppm2      1.658 CV     1
 ASSI {   62}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.100     2.100     1.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.58292E-03 ppm1      9.172 ppm2      1.582 CV     1
 ASSI {   67}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.100     1.200     1.200 peak    67 spectrum    1 weight  0.10000E+01 volume  0.22208E-02 ppm1      9.129 ppm2      0.714 CV     1
 ASSI {   68}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.20205E-02 ppm1      9.169 ppm2      0.805 CV     1
 ASSI {   71}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.12947E-02 ppm1      9.068 ppm2      0.860 CV     1
 ASSI {   73}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     2.500     3.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.11191E-02 ppm1      9.172 ppm2      8.365 CV     1
 ASSI {   74}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.300     1.400     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.72216E-03 ppm1      9.131 ppm2      4.311 CV     1
 ASSI {   80}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.600     1.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12580E-02 ppm1      9.062 ppm2      3.140 CV     1
 ASSI {   82}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak    82 spectrum    1 weight  0.10000E+01 volume  0.99748E-03 ppm1      9.062 ppm2     10.538 CV     1
 ASSI {   86}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.400     1.400     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.99709E-03 ppm1      9.070 ppm2      0.391 CV     1
 ASSI {   87}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.000     1.100     1.100 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15884E-02 ppm1      9.068 ppm2      3.992 CV     1
 ASSI {   88}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.600     2.600     1.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.45087E-03 ppm1      9.062 ppm2      3.624 CV     1
 ASSI {   91}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.51628E-03 ppm1      9.003 ppm2      2.203 CV     1
 OR {   91}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {   94}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.18924E-02 ppm1      8.793 ppm2      4.747 CV     1
 ASSI {   96}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak    96 spectrum    1 weight  0.10000E+01 volume  0.11315E-02 ppm1      8.802 ppm2      4.781 CV     1
 ASSI {  104}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      2.800     2.800     3.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.51309E-03 ppm1      8.796 ppm2      4.280 CV     1
 ASSI {  105}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     2.600     3.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.48757E-02 ppm1      8.860 ppm2      4.272 CV     1
 ASSI {  107}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.400     1.400 peak   107 spectrum    1 weight  0.10000E+01 volume  0.50471E-03 ppm1      8.824 ppm2      3.794 CV     1
 ASSI {  111}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.300     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1      8.793 ppm2      2.934 CV     1
 ASSI {  112}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   112 spectrum    1 weight  0.10000E+01 volume  0.11766E-02 ppm1      8.775 ppm2      2.718 CV     1
 ASSI {  120}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.20396E-02 ppm1      8.866 ppm2      2.051 CV     1
 ASSI {  121}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.000     2.000     2.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.74610E-03 ppm1      8.800 ppm2      1.446 CV     1
 ASSI {  124}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      2.600     0.900     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.53185E-02 ppm1      8.867 ppm2      1.540 CV     1
 ASSI {  125}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.900     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.42612E-02 ppm1      8.857 ppm2      1.959 CV     1
 ASSI {  128}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.30718E-02 ppm1      8.869 ppm2      1.280 CV     1
 OR {  128}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI {  130}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.500     1.500     1.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.11678E-02 ppm1      8.805 ppm2      3.586 CV     1
 ASSI {  133}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.26980E-02 ppm1      8.827 ppm2      5.221 CV     1
 ASSI {  134}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.500     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10338E-02 ppm1      8.827 ppm2      1.147 CV     1
 ASSI {  135}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.63999E-03 ppm1      8.802 ppm2      3.088 CV     1
 ASSI {  136}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10781E-02 ppm1      8.803 ppm2      1.662 CV     1
 ASSI {  137}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.97553E-03 ppm1      8.793 ppm2      7.569 CV     1
 ASSI {  143}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.300     2.300     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.30136E-03 ppm1      8.763 ppm2      4.851 CV     1
 ASSI {  147}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      2.900     1.100     1.100 peak   147 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      8.750 ppm2      1.723 CV     1
 ASSI {  149}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.45764E-02 ppm1      8.654 ppm2      4.310 CV     1
 ASSI {  151}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.600     0.800     0.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      8.630 ppm2      2.374 CV     1
 ASSI {  152}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.700     2.700     1.300 peak   152 spectrum    1 weight  0.10000E+01 volume  0.33834E-03 ppm1      8.647 ppm2      2.456 CV     1
 ASSI {  153}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.500     2.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.49872E-03 ppm1      8.655 ppm2      1.378 CV     1
 ASSI {  155}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.18597E-02 ppm1      8.652 ppm2      8.288 CV     1
 ASSI {  158}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.600     0.900     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.23189E-02 ppm1      8.648 ppm2      2.019 CV     1
 ASSI {  159}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.21182E-02 ppm1      8.649 ppm2      2.158 CV     1
 ASSI {  160}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.100     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.52508E-02 ppm1      8.652 ppm2      1.809 CV     1
 OR {  160}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  166}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.700     1.700     1.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.62719E-03 ppm1      8.631 ppm2      1.616 CV     1
 ASSI {  167}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.100     2.100     1.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.81393E-03 ppm1      8.652 ppm2      0.711 CV     1
 ASSI {  168}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      3.700     1.700     1.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.22256E-02 ppm1      8.630 ppm2      0.832 CV     1
 ASSI {  170}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.100     1.100 peak   170 spectrum    1 weight  0.10000E+01 volume  0.13159E-02 ppm1      8.648 ppm2      4.010 CV     1
 ASSI {  171}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.83949E-03 ppm1      8.630 ppm2      7.363 CV     1
 ASSI {  172}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      4.600     2.600     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.34413E-03 ppm1      8.630 ppm2      1.051 CV     1
 ASSI {  175}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.300     2.400     1.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.67589E-03 ppm1      8.540 ppm2      3.080 CV     1
 ASSI {  176}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.400     2.400     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.33220E-03 ppm1      8.420 ppm2      3.827 CV     1
 ASSI {  177}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.49676E-03 ppm1      8.421 ppm2      3.938 CV     1
 ASSI {  178}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA1 ))
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.31289E-02 ppm1      8.512 ppm2      3.814 CV     1
 ASSI {  179}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.300     0.700     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.71059E-02 ppm1      8.503 ppm2      3.904 CV     1
 OR {  179}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
 ASSI {  180}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.100     2.200     1.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.61205E-03 ppm1      8.457 ppm2      3.796 CV     1
 ASSI {  185}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      2.800     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.30291E-02 ppm1      8.285 ppm2      0.904 CV     1
 ASSI {  186}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      2.900     1.100     1.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.22068E-02 ppm1      8.371 ppm2      1.052 CV     1
 OR {  186}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  192}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.000     2.000     2.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.48915E-03 ppm1      8.419 ppm2      0.728 CV     1
 ASSI {  193}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.600     1.600     1.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.11802E-02 ppm1      8.540 ppm2      0.813 CV     1
 ASSI {  194}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.18174E-02 ppm1      8.515 ppm2      4.211 CV     1
 ASSI {  196}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      8.542 ppm2      1.499 CV     1
 ASSI {  198}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.300     1.400     1.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.75048E-03 ppm1      8.542 ppm2      2.200 CV     1
 ASSI {  199}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.200     1.300     1.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.16323E-02 ppm1      8.543 ppm2      1.217 CV     1
 ASSI {  200}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      3.800     1.900     1.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.64076E-03 ppm1      8.507 ppm2      2.374 CV     1
 ASSI {  204}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.200     1.200     1.200 peak   204 spectrum    1 weight  0.10000E+01 volume  0.22148E-02 ppm1      8.513 ppm2      1.801 CV     1
 ASSI {  205}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak   205 spectrum    1 weight  0.10000E+01 volume  0.65233E-03 ppm1      8.454 ppm2      1.052 CV     1
 OR {  205}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  206}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      2.800     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.16127E-02 ppm1      8.454 ppm2      1.147 CV     1
 ASSI {  207}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG2%)
      2.800     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.17986E-02 ppm1      8.506 ppm2      1.051 CV     1
 ASSI {  209}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA2 ))
      3.600     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.58811E-03 ppm1      8.512 ppm2      4.459 CV     1
 ASSI {  213}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.12604E-02 ppm1      7.906 ppm2      3.938 CV     1
 ASSI {  215}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19566E-02 ppm1      8.222 ppm2      4.178 CV     1
 ASSI {  218}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.900     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.47439E-02 ppm1      8.277 ppm2      3.945 CV     1
 ASSI {  225}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.900     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.18066E-02 ppm1      8.088 ppm2      3.938 CV     1
 ASSI {  227}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.600     0.800     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.43931E-02 ppm1      8.240 ppm2      3.900 CV     1
 OR {  227}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
 ASSI {  231}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.000     1.100     1.100 peak   231 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      8.036 ppm2      4.076 CV     1
 ASSI {  237}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.43169E-02 ppm1      8.303 ppm2      4.235 CV     1
 ASSI {  239}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.31297E-02 ppm1      8.302 ppm2      4.027 CV     1
 ASSI {  242}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA1 ))
      2.800     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.17950E-02 ppm1      8.305 ppm2      3.804 CV     1
 ASSI {  247}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.74410E-03 ppm1      7.838 ppm2      4.135 CV     1
 ASSI {  249}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.600     1.600     1.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.65951E-03 ppm1      8.242 ppm2      3.777 CV     1
 ASSI {  257}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   257 spectrum    1 weight  0.10000E+01 volume  0.12520E-02 ppm1      8.420 ppm2      3.615 CV     1
 ASSI {  258}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.400     1.400 peak   258 spectrum    1 weight  0.10000E+01 volume  0.50871E-03 ppm1      8.418 ppm2      3.666 CV     1
 ASSI {  260}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.300     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.50152E-02 ppm1      7.811 ppm2      1.958 CV     1
 OR {  260}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  263}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.14635E-02 ppm1      8.453 ppm2      1.719 CV     1
 ASSI {  266}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.23871E-02 ppm1      8.177 ppm2      2.125 CV     1
 OR {  266}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  268}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      2.300     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.70702E-02 ppm1      8.221 ppm2      1.389 CV     1
 ASSI {  272}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG12))
      3.100     1.200     1.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.14104E-02 ppm1      8.277 ppm2      1.172 CV     1
 OR {  272}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG11))
 ASSI {  277}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      2.200     0.600     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.53546E-02 ppm1      8.419 ppm2      1.829 CV     1
 ASSI {  280}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.200     1.300     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.20340E-02 ppm1      8.005 ppm2      1.424 CV     1
 ASSI {  285}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.300     0.700     0.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.31620E-02 ppm1      7.906 ppm2      1.949 CV     1
 ASSI {  288}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.600     0.900     0.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.51909E-02 ppm1      8.272 ppm2      1.877 CV     1
 ASSI {  293}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.000     1.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.24199E-02 ppm1      8.224 ppm2      1.807 CV     1
 OR {  293}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  302}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      8.370 ppm2      1.808 CV     1
 OR {  302}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  305}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG1 ))
      4.200     2.200     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.11096E-02 ppm1      7.966 ppm2      1.657 CV     1
 OR {  305}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  306}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.10697E-02 ppm1      7.957 ppm2      1.936 CV     1
 ASSI {  312}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      3.700     1.700     1.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.85025E-03 ppm1      8.447 ppm2      1.655 CV     1
 OR {  312}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
 ASSI {  319}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG12))
      3.800     1.800     1.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.73934E-03 ppm1      8.457 ppm2      1.363 CV     1
 OR {  319}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG11))
 ASSI {  324}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.16925E-02 ppm1      8.419 ppm2      7.834 CV     1
 ASSI {  325}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.22064E-02 ppm1      8.454 ppm2      7.766 CV     1
 ASSI {  327}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.200     1.200     1.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.97115E-03 ppm1      8.444 ppm2      2.115 CV     1
 OR {  327}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  333}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.13258E-02 ppm1      8.371 ppm2      3.538 CV     1
 ASSI {  335}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.66432E-03 ppm1      8.280 ppm2      2.334 CV     1
 ASSI {  337}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   337 spectrum    1 weight  0.10000E+01 volume  0.96316E-03 ppm1      8.270 ppm2      8.790 CV     1
 ASSI {  339}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.29214E-02 ppm1      8.294 ppm2      4.992 CV     1
 ASSI {  345}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.600     1.600     1.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.16594E-02 ppm1      8.283 ppm2      3.624 CV     1
 ASSI {  346}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.23333E-02 ppm1      8.289 ppm2      9.242 CV     1
 ASSI {  347}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.83987E-03 ppm1      8.279 ppm2      3.197 CV     1
 ASSI {  356}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.83349E-03 ppm1      8.176 ppm2      2.523 CV     1
 ASSI {  358}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      8.095 ppm2      2.738 CV     1
 ASSI {  364}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      8.091 ppm2      7.262 CV     1
 ASSI {  365}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.800     1.000     1.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.21222E-02 ppm1      8.089 ppm2      2.558 CV     1
 ASSI {  374}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      2.900     1.100     1.100 peak   374 spectrum    1 weight  0.10000E+01 volume  0.18066E-02 ppm1      8.018 ppm2      0.723 CV     1
 ASSI {  375}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      2.700     0.900     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.24510E-02 ppm1      8.039 ppm2      1.046 CV     1
 OR {  375}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  380}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.700     1.700     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.78361E-03 ppm1      7.960 ppm2      2.123 CV     1
 OR {  380}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  383}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      3.000     1.100     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.19866E-02 ppm1      7.906 ppm2      1.426 CV     1
 ASSI {  386}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.600     1.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.44526E-03 ppm1      7.905 ppm2      3.808 CV     1
 ASSI {  389}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      3.700     1.700     1.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.65875E-03 ppm1      7.837 ppm2      0.624 CV     1
 ASSI {  390}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      7.840 ppm2      3.664 CV     1
 ASSI {  391}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.500     1.600     1.600 peak   391 spectrum    1 weight  0.10000E+01 volume  0.51547E-03 ppm1      7.815 ppm2      3.662 CV     1
 ASSI {  392}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.62081E-03 ppm1      7.839 ppm2      3.812 CV     1
 ASSI {  393}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG12))
      3.100     1.200     1.200 peak   393 spectrum    1 weight  0.10000E+01 volume  0.96635E-03 ppm1      7.841 ppm2      1.044 CV     1
 OR {  393}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG11))
 ASSI {  396}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      2.300     0.600     0.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.49353E-02 ppm1      7.742 ppm2      1.427 CV     1
 ASSI {  398}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.74372E-03 ppm1      7.749 ppm2      9.064 CV     1
 ASSI {  402}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.500     2.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.47358E-03 ppm1      7.740 ppm2      2.155 CV     1
 ASSI {  404}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.96635E-03 ppm1      7.742 ppm2      8.643 CV     1
 ASSI {  405}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.11040E-02 ppm1      7.743 ppm2      3.811 CV     1
 ASSI {  406}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.800     1.000     1.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.49995E-02 ppm1      7.666 ppm2      2.671 CV     1
 ASSI {  409}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.100     2.100     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.63438E-03 ppm1      7.578 ppm2      2.937 CV     1
 ASSI {  411}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.20237E-02 ppm1      7.667 ppm2      2.974 CV     1
 ASSI {  414}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.700     1.700     1.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.53903E-03 ppm1      7.649 ppm2      3.938 CV     1
 ASSI {  415}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak   415 spectrum    1 weight  0.10000E+01 volume  0.41335E-03 ppm1      7.651 ppm2      4.014 CV     1
 ASSI {  417}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.300     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.18617E-02 ppm1      7.651 ppm2      1.669 CV     1
 ASSI {  418}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB  ))
      2.600     0.900     0.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.32474E-02 ppm1      7.640 ppm2      1.824 CV     1
 ASSI {  424}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   424 spectrum    1 weight  0.10000E+01 volume  0.70383E-03 ppm1      7.638 ppm2      3.615 CV     1
 ASSI {  426}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG1 ))
      2.900     1.100     1.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.18409E-02 ppm1      7.574 ppm2      1.353 CV     1
 ASSI {  427}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.22591E-02 ppm1      7.575 ppm2      1.433 CV     1
 ASSI {  428}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.600     1.600     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.81674E-03 ppm1      7.567 ppm2      2.736 CV     1
 ASSI {  433}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.900     1.000     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.15154E-02 ppm1      7.575 ppm2      1.870 CV     1
 ASSI {  439}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.100     1.100 peak   439 spectrum    1 weight  0.10000E+01 volume  0.14399E-02 ppm1      7.486 ppm2      1.768 CV     1
 OR {  439}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  441}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.300     1.400     1.400 peak   441 spectrum    1 weight  0.10000E+01 volume  0.13749E-02 ppm1      7.491 ppm2      0.607 CV     1
 ASSI {  443}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.700     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.75329E-03 ppm1      7.491 ppm2      0.688 CV     1
 ASSI {  444}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.400     0.700     0.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.61486E-02 ppm1      7.492 ppm2      1.938 CV     1
 ASSI {  445}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.98991E-03 ppm1      7.490 ppm2      3.626 CV     1
 ASSI {  446}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.500     1.500     1.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.69745E-03 ppm1      7.487 ppm2      2.671 CV     1
 ASSI {  450}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.100     1.200     1.200 peak   450 spectrum    1 weight  0.10000E+01 volume  0.17049E-02 ppm1      7.368 ppm2      1.326 CV     1
 ASSI {  455}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.74890E-03 ppm1      7.368 ppm2      4.241 CV     1
 ASSI {  456}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.57097E-03 ppm1      7.366 ppm2      1.918 CV     1
 OR {  456}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  459}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.11531E-02 ppm1      7.260 ppm2      3.131 CV     1
 ASSI {  461}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      7.215 ppm2      3.217 CV     1
 ASSI {  463}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     2.700     3.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.69502E-03 ppm1      7.267 ppm2      3.207 CV     1
 ASSI {  467}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.700     3.700     2.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.91927E-03 ppm1      7.264 ppm2      0.740 CV     1
 ASSI {  469}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak   469 spectrum    1 weight  0.10000E+01 volume  0.10809E-02 ppm1      7.261 ppm2      2.227 CV     1
 OR {  469}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  470}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.53822E-03 ppm1      7.263 ppm2      4.742 CV     1
 ASSI {  473}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.000     2.000     2.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.70383E-03 ppm1      7.264 ppm2      2.556 CV     1
 ASSI {  474}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.12915E-02 ppm1      7.264 ppm2      8.272 CV     1
 ASSI {  475}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      2.700     2.700     3.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.72658E-03 ppm1      7.259 ppm2      2.328 CV     1
 ASSI {  477}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 32   and name HD2 ))
      3.600     1.600     1.600 peak   477 spectrum    1 weight  0.10000E+01 volume  0.49076E-03 ppm1      7.215 ppm2      3.870 CV     1
 ASSI {  481}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak   481 spectrum    1 weight  0.10000E+01 volume  0.12133E-02 ppm1      7.127 ppm2      4.207 CV     1
 ASSI {  483}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.800     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.25851E-02 ppm1      7.129 ppm2      1.796 CV     1
 ASSI {  488}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.93003E-03 ppm1      7.129 ppm2      1.962 CV     1
 ASSI {  489}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.500     1.500     1.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.87576E-03 ppm1      7.126 ppm2      8.507 CV     1
 ASSI {  518}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.31664E-02 ppm1      5.571 ppm2      9.168 CV     1
 ASSI {  520}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.700     1.700     1.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.98991E-03 ppm1      5.579 ppm2      1.659 CV     1
 ASSI {  523}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.25148E-02 ppm1      5.573 ppm2      1.846 CV     1
 ASSI {  524}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      3.500     1.500     1.500 peak   524 spectrum    1 weight  0.10000E+01 volume  0.19096E-02 ppm1      5.579 ppm2      2.047 CV     1
 ASSI {  525}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak   525 spectrum    1 weight  0.10000E+01 volume  0.14252E-02 ppm1      5.571 ppm2      1.940 CV     1
 ASSI {  526}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.200     1.300     1.300 peak   526 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      5.575 ppm2      2.293 CV     1
 ASSI {  527}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.700     0.700 peak   527 spectrum    1 weight  0.10000E+01 volume  0.45007E-02 ppm1      5.410 ppm2      8.538 CV     1
 ASSI {  532}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.12341E-02 ppm1      5.410 ppm2      3.581 CV     1
 ASSI {  534}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.17511E-02 ppm1      5.409 ppm2      3.081 CV     1
 ASSI {  535}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.300     0.700     0.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.33228E-02 ppm1      5.226 ppm2      1.148 CV     1
 ASSI {  536}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.16259E-02 ppm1      5.229 ppm2      4.827 CV     1
 ASSI {  537}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak   537 spectrum    1 weight  0.10000E+01 volume  0.64556E-03 ppm1      5.227 ppm2      8.450 CV     1
 ASSI {  540}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      3.400     1.500     1.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.12504E-02 ppm1      3.942 ppm2      0.799 CV     1
 ASSI {  541}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      2.800     1.000     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.20380E-02 ppm1      4.315 ppm2      0.714 CV     1
 ASSI {  542}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.44688E-02 ppm1      4.867 ppm2      2.125 CV     1
 OR {  542}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  544}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.500     0.800     0.800 peak   544 spectrum    1 weight  0.10000E+01 volume  0.35697E-02 ppm1      4.997 ppm2      1.793 CV     1
 OR {  544}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  546}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      2.900     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.23732E-02 ppm1      4.418 ppm2      0.723 CV     1
 ASSI {  547}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.42173E-02 ppm1      4.721 ppm2      1.330 CV     1
 ASSI {  548}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      2.700     0.900     0.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.39021E-02 ppm1      4.077 ppm2      1.043 CV     1
 OR {  548}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  550}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
      3.000     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.17124E-02 ppm1      4.019 ppm2      0.943 CV     1
 OR {  550}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI {  552}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      2.800     1.000     1.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.30263E-02 ppm1      4.993 ppm2      1.662 CV     1
 ASSI {  553}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
      2.700     0.900     0.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.44250E-02 ppm1      4.140 ppm2      0.909 CV     1
 OR {  553}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI {  555}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      2.600     0.900     0.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.50633E-02 ppm1      4.236 ppm2      0.911 CV     1
 ASSI {  556}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.100     0.500     0.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.10773E-01 ppm1      4.736 ppm2      1.699 CV     1
 ASSI {  559}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      3.200     1.200     1.200 peak   559 spectrum    1 weight  0.10000E+01 volume  0.24973E-02 ppm1      4.275 ppm2      0.721 CV     1
 ASSI {  564}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
      3.600     1.600     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.11918E-02 ppm1      4.993 ppm2      1.542 CV     1
 ASSI {  569}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      2.500     0.800     0.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.22707E-02 ppm1      4.834 ppm2      0.859 CV     1
 ASSI {  570}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 41   and name HG1%)
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.16658E-02 ppm1      4.792 ppm2      0.790 CV     1
 OR {  570}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI {  571}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      3.000     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.41415E-02 ppm1      4.738 ppm2      0.814 CV     1
 ASSI {  572}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      2.300     2.300     3.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.87257E-02 ppm1      4.873 ppm2      0.819 CV     1
 ASSI {  575}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.24338E-02 ppm1      4.724 ppm2      9.123 CV     1
 ASSI {  577}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.200     0.600     0.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.33479E-02 ppm1      4.834 ppm2      9.065 CV     1
 ASSI {  588}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.26373E-02 ppm1      4.861 ppm2      8.366 CV     1
 ASSI {  590}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.200     1.200 peak   590 spectrum    1 weight  0.10000E+01 volume  0.39683E-02 ppm1      4.798 ppm2      5.405 CV     1
 ASSI {  591}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.54222E-02 ppm1      4.703 ppm2      2.746 CV     1
 ASSI {  594}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.300     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.67788E-02 ppm1      4.763 ppm2      2.950 CV     1
 ASSI {  599}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.500     1.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.96354E-03 ppm1      4.785 ppm2      2.321 CV     1
 ASSI {  600}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12720E-02 ppm1      4.742 ppm2      7.580 CV     1
 ASSI {  601}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.18681E-02 ppm1      4.746 ppm2      8.267 CV     1
 ASSI {  602}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.55940E-02 ppm1      4.734 ppm2      8.009 CV     1
 ASSI {  603}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.23201E-02 ppm1      4.742 ppm2      8.089 CV     1
 ASSI {  611}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      4.529 ppm2      8.993 CV     1
 ASSI {  615}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.35745E-02 ppm1      4.417 ppm2      8.007 CV     1
 ASSI {  618}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.18848E-02 ppm1      4.123 ppm2      7.920 CV     1
 ASSI {  619}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.100     1.100 peak   619 spectrum    1 weight  0.10000E+01 volume  0.20388E-02 ppm1      4.076 ppm2      8.170 CV     1
 ASSI {  620}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.29454E-02 ppm1      4.414 ppm2      8.437 CV     1
 ASSI {  621}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.500     1.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.94559E-03 ppm1      4.181 ppm2      7.654 CV     1
 ASSI {  622}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.200     0.600     0.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.63438E-02 ppm1      4.246 ppm2      8.365 CV     1
 ASSI {  625}
   (( segid "    " and resid 50   and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak   625 spectrum    1 weight  0.10000E+01 volume  0.29282E-02 ppm1      4.465 ppm2      8.304 CV     1
 ASSI {  627}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   627 spectrum    1 weight  0.10000E+01 volume  0.16279E-02 ppm1      4.013 ppm2      8.094 CV     1
 OR {  627}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  636}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.50433E-02 ppm1      4.117 ppm2      8.274 CV     1
 ASSI {  637}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.16478E-02 ppm1      4.174 ppm2      7.805 CV     1
 ASSI {  648}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.38977E-02 ppm1      4.342 ppm2      8.092 CV     1
 ASSI {  660}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG11))
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.15708E-02 ppm1      4.413 ppm2      1.646 CV     1
 OR {  660}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
 ASSI {  661}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.300     0.600     0.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.78999E-02 ppm1      4.214 ppm2      1.967 CV     1
 ASSI {  664}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.900     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.15836E-02 ppm1      4.077 ppm2      2.240 CV     1
 ASSI {  665}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      4.144 ppm2      2.121 CV     1
 OR {  665}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  667}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.700     0.900     0.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.28608E-02 ppm1      4.140 ppm2      1.671 CV     1
 ASSI {  668}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.200     0.600     0.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.41854E-02 ppm1      4.400 ppm2      1.781 CV     1
 OR {  668}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  672}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.100     2.100     3.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14160E-01 ppm1      4.275 ppm2      1.792 CV     1
 ASSI {  674}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.800     2.800     3.200 peak   674 spectrum    1 weight  0.10000E+01 volume  0.78999E-02 ppm1      4.345 ppm2      1.707 CV     1
 ASSI {  679}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.44088E-02 ppm1      4.309 ppm2      1.943 CV     1
 ASSI {  681}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG1 ))
      2.900     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      4.315 ppm2      1.657 CV     1
 OR {  681}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  682}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.800     1.800     1.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.67750E-03 ppm1      4.245 ppm2      1.616 CV     1
 ASSI {  683}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      2.900     1.100     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.65475E-02 ppm1      4.408 ppm2      2.326 CV     1
 ASSI {  684}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.400     0.700     0.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.44488E-02 ppm1      4.408 ppm2      2.033 CV     1
 ASSI {  686}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HG1 ))
      2.500     2.500     3.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.15980E-01 ppm1      4.111 ppm2      1.360 CV     1
 ASSI {  687}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG1 ))
      2.300     0.700     0.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.77485E-02 ppm1      4.216 ppm2      1.458 CV     1
 ASSI {  688}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HB% )
      2.300     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.78722E-02 ppm1      4.181 ppm2      1.388 CV     1
 ASSI {  693}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.38087E-02 ppm1      4.300 ppm2      2.130 CV     1
 OR {  693}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  700}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG12))
      3.200     1.300     1.300 peak   700 spectrum    1 weight  0.10000E+01 volume  0.16841E-02 ppm1      4.233 ppm2      1.178 CV     1
 OR {  700}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG11))
 ASSI {  711}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.600     0.900     0.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.22483E-02 ppm1      4.018 ppm2      2.157 CV     1
 ASSI {  712}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.000     1.200     1.200 peak   712 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      4.016 ppm2      2.015 CV     1
 ASSI {  715}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.25503E-02 ppm1      3.940 ppm2      1.924 CV     1
 OR {  715}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  717}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      2.700     0.900     0.900 peak   717 spectrum    1 weight  0.10000E+01 volume  0.22180E-02 ppm1      3.943 ppm2      1.830 CV     1
 ASSI {  720}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.200     2.200     1.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.73853E-03 ppm1      3.998 ppm2      1.603 CV     1
 ASSI {  722}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG1 ))
      2.700     0.900     0.900 peak   722 spectrum    1 weight  0.10000E+01 volume  0.23333E-02 ppm1      4.020 ppm2      2.455 CV     1
 ASSI {  724}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.400     1.500     1.500 peak   724 spectrum    1 weight  0.10000E+01 volume  0.66075E-03 ppm1      4.004 ppm2      7.912 CV     1
 ASSI {  726}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.500     0.800     0.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.32526E-02 ppm1      3.998 ppm2      1.282 CV     1
 OR {  726}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI {  731}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 52   and name HD1 ))
      3.700     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.71777E-03 ppm1      3.889 ppm2      3.099 CV     1
 OR {  731}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI {  737}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak   737 spectrum    1 weight  0.10000E+01 volume  0.27682E-02 ppm1      3.816 ppm2      1.871 CV     1
 ASSI {  738}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     2.800     3.200 peak   738 spectrum    1 weight  0.10000E+01 volume  0.50871E-02 ppm1      3.885 ppm2      2.052 CV     1
 OR {  738}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  738}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {  738}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  750}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      3.600     1.600     1.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.23397E-02 ppm1      3.815 ppm2      0.646 CV     1
 ASSI {  753}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HG1 ))
      3.000     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.18393E-02 ppm1      3.878 ppm2      1.646 CV     1
 ASSI {  756}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
      2.300     0.600     0.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.57454E-02 ppm1      3.815 ppm2      1.427 CV     1
 ASSI {  757}
   (( segid "    " and resid 50   and name HA1 ))
   (( segid "    " and resid 51   and name HA  ))
      4.200     2.200     1.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.39939E-03 ppm1      3.796 ppm2      5.578 CV     1
 ASSI {  760}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG2 ))
      2.900     1.000     1.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      3.782 ppm2      2.319 CV     1
 ASSI {  766}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG12))
      3.000     1.100     1.100 peak   766 spectrum    1 weight  0.10000E+01 volume  0.21916E-02 ppm1      3.670 ppm2      1.045 CV     1
 OR {  766}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG11))
 ASSI {  768}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
      3.400     1.500     1.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.14703E-02 ppm1      3.608 ppm2      2.318 CV     1
 ASSI {  770}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.21298E-02 ppm1      3.664 ppm2      2.203 CV     1
 OR {  770}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  774}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HG1 ))
      2.400     0.700     0.700 peak   774 spectrum    1 weight  0.10000E+01 volume  0.31724E-02 ppm1      3.667 ppm2      1.654 CV     1
 ASSI {  777}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.600     0.900     0.900 peak   777 spectrum    1 weight  0.10000E+01 volume  0.25424E-02 ppm1      3.669 ppm2      0.727 CV     1
 ASSI {  778}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      3.400     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.21514E-02 ppm1      3.631 ppm2      0.612 CV     1
 ASSI {  779}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      3.200     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.70859E-03 ppm1      3.668 ppm2      0.622 CV     1
 ASSI {  780}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG1%)
      3.000     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.19838E-02 ppm1      3.542 ppm2      1.054 CV     1
 OR {  780}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  784}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.800     2.800     3.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.37461E-02 ppm1      3.540 ppm2      0.744 CV     1
 ASSI {  785}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.31197E-02 ppm1      3.632 ppm2      0.687 CV     1
 ASSI {  786}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      2.700     0.900     0.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.27091E-02 ppm1      3.616 ppm2      0.801 CV     1
 ASSI {  789}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      3.800     1.800     1.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.67469E-03 ppm1      3.542 ppm2      0.843 CV     1
 ASSI {  792}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.700     0.400     0.500 peak   792 spectrum    1 weight  0.10000E+01 volume  0.15656E-01 ppm1      3.588 ppm2      3.081 CV     1
 ASSI {  794}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      4.100     2.100     1.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.75329E-03 ppm1      3.631 ppm2      4.997 CV     1
 ASSI {  799}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.700     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.21294E-02 ppm1      3.630 ppm2      1.932 CV     1
 ASSI {  801}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB  ))
      2.900     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.19674E-02 ppm1      3.619 ppm2      1.829 CV     1
 ASSI {  811}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG2 ))
      2.800     1.000     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.22367E-02 ppm1      3.526 ppm2      1.586 CV     1
 ASSI {  812}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG1 ))
      2.600     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.21529E-02 ppm1      3.528 ppm2      1.513 CV     1
 ASSI {  822}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.100     1.200     1.200 peak   822 spectrum    1 weight  0.10000E+01 volume  0.39384E-02 ppm1      3.217 ppm2      3.872 CV     1
 ASSI {  824}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 21   and name HB  ))
      3.200     1.300     1.300 peak   824 spectrum    1 weight  0.10000E+01 volume  0.21936E-02 ppm1      3.201 ppm2      2.035 CV     1
 ASSI {  828}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 70   and name HG2 ))
      2.200     0.600     0.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.88614E-02 ppm1      3.216 ppm2      1.672 CV     1
 OR {  828}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 70   and name HG1 ))
 ASSI {  832}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      4.000     2.000     2.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.13266E-02 ppm1      3.216 ppm2      4.323 CV     1
 ASSI {  833}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.60168E-03 ppm1      3.198 ppm2      9.055 CV     1
 ASSI {  834}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   834 spectrum    1 weight  0.10000E+01 volume  0.77242E-03 ppm1      3.128 ppm2      4.735 CV     1
 ASSI {  857}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HG2 ))
      2.500     0.800     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.24709E-02 ppm1      3.064 ppm2      1.591 CV     1
 ASSI {  880}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
      2.300     0.700     0.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.73296E-02 ppm1      2.734 ppm2      4.006 CV     1
 OR {  880}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  895}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD% )
      2.900     1.000     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.19634E-02 ppm1      2.733 ppm2      7.212 CV     1
 ASSI {  900}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.19506E-02 ppm1      2.735 ppm2      8.368 CV     1
 ASSI {  920}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 16   and name HG2%)
      2.400     0.700     0.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.40896E-02 ppm1      2.377 ppm2      1.052 CV     1
 ASSI {  922}
   (( segid "    " and resid 16   and name HB  ))
   (  segid "    " and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.28867E-02 ppm1      2.377 ppm2      0.832 CV     1
 ASSI {  926}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak   926 spectrum    1 weight  0.10000E+01 volume  0.66870E-03 ppm1      2.328 ppm2      8.438 CV     1
 ASSI {  930}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   930 spectrum    1 weight  0.10000E+01 volume  0.19570E-02 ppm1      2.246 ppm2      8.177 CV     1
 ASSI {  931}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     1.700     1.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      2.322 ppm2      4.780 CV     1
 ASSI {  940}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.300     1.300     1.300 peak   940 spectrum    1 weight  0.10000E+01 volume  0.31520E-02 ppm1      2.208 ppm2      3.873 CV     1
 OR {  940}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
 ASSI {  946}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.65951E-03 ppm1      2.129 ppm2      4.090 CV     1
 OR {  946}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  947}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.31305E-02 ppm1      1.690 ppm2      4.209 CV     1
 ASSI {  958}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.900     0.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      1.928 ppm2      4.248 CV     1
 OR {  958}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  959}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.29409E-02 ppm1      1.933 ppm2      3.938 CV     1
 ASSI {  961}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD2 ))
      3.400     1.400     1.400 peak   961 spectrum    1 weight  0.10000E+01 volume  0.22994E-02 ppm1      2.038 ppm2      3.783 CV     1
 ASSI {  964}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.20588E-02 ppm1      1.924 ppm2      4.402 CV     1
 ASSI {  971}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.80636E-03 ppm1      2.081 ppm2      4.400 CV     1
 ASSI {  972}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.11627E-02 ppm1      1.920 ppm2      3.872 CV     1
 ASSI {  980}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   980 spectrum    1 weight  0.10000E+01 volume  0.14032E-02 ppm1      2.239 ppm2      3.620 CV     1
 ASSI {  982}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.22734E-02 ppm1      2.242 ppm2      8.034 CV     1
 ASSI {  999}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.33551E-02 ppm1      1.969 ppm2      8.028 CV     1
 OR {  999}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1002}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.200     0.600     0.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.63238E-02 ppm1      1.878 ppm2      7.834 CV     1
 ASSI { 1007}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.68188E-02 ppm1      1.684 ppm2      8.015 CV     1
 ASSI { 1011}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.53546E-02 ppm1      1.881 ppm2      8.014 CV     1
 ASSI { 1012}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.300     1.300 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.32913E-02 ppm1      1.888 ppm2      7.906 CV     1
 ASSI { 1022}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.600     0.600 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.20592E-02 ppm1      1.864 ppm2      8.645 CV     1
 ASSI { 1025}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.93003E-03 ppm1      1.675 ppm2      7.835 CV     1
 ASSI { 1035}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.11822E-02 ppm1      2.077 ppm2      5.574 CV     1
 ASSI { 1036}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      4.200     2.200     1.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.36759E-03 ppm1      2.128 ppm2      5.573 CV     1
 ASSI { 1038}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
      3.300     1.300     1.300 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.45764E-02 ppm1      2.086 ppm2      3.615 CV     1
 ASSI { 1039}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD1 ))
      3.500     1.500     1.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.12935E-02 ppm1      2.037 ppm2      3.614 CV     1
 ASSI { 1046}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HD1 ))
      2.300     0.600     0.600 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.61686E-02 ppm1      1.885 ppm2      3.212 CV     1
 ASSI { 1050}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.500     2.500     3.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.10070E-01 ppm1      1.666 ppm2      2.961 CV     1
 ASSI { 1057}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.000     2.000     4.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.39276E-02 ppm1      1.794 ppm2      2.998 CV     1
 OR { 1057}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1065}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.80793E-03 ppm1      2.020 ppm2      7.737 CV     1
 ASSI { 1067}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.29681E-02 ppm1      1.942 ppm2      4.778 CV     1
 ASSI { 1071}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.19139E-02 ppm1      1.876 ppm2      3.664 CV     1
 ASSI { 1075}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.500     1.500 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.15054E-02 ppm1      1.886 ppm2      9.164 CV     1
 ASSI { 1080}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.300     1.300 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.79517E-03 ppm1      1.736 ppm2      8.854 CV     1
 ASSI { 1084}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.10737E-02 ppm1      1.745 ppm2      4.732 CV     1
 ASSI { 1109}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.100     2.100     3.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.38179E-02 ppm1      1.425 ppm2      4.340 CV     1
 ASSI { 1116}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     2.500     3.500 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.54065E-02 ppm1      1.459 ppm2      5.404 CV     1
 ASSI { 1117}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.34281E-02 ppm1      1.453 ppm2      4.782 CV     1
 ASSI { 1120}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      1.449 ppm2      5.577 CV     1
 ASSI { 1126}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     3.300     2.700 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11072E-02 ppm1      1.466 ppm2      8.284 CV     1
 ASSI { 1147}
   (( segid "    " and resid 29   and name HG11))
   (  segid "    " and resid 29   and name HG2%)
      3.000     1.100     1.100 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.18214E-02 ppm1      1.372 ppm2      0.390 CV     1
 OR { 1147}
   (( segid "    " and resid 29   and name HG12))
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1149}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.600     1.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.81193E-03 ppm1      1.287 ppm2      4.282 CV     1
 OR { 1149}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1150}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.800     1.800     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.10968E-02 ppm1      1.330 ppm2      9.128 CV     1
 ASSI { 1159}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.52866E-03 ppm1      1.153 ppm2      5.397 CV     1
 ASSI { 1166}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.70463E-03 ppm1      0.942 ppm2      8.413 CV     1
 ASSI { 1173}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.82550E-03 ppm1      1.050 ppm2      8.172 CV     1
 OR { 1173}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1188}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.17408E-02 ppm1      0.951 ppm2      4.139 CV     1
 ASSI { 1196}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA1 ))
      4.000     2.000     2.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.32913E-03 ppm1      0.911 ppm2      4.019 CV     1
 ASSI { 1197}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      4.200     2.200     1.800 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.36958E-03 ppm1      0.951 ppm2      3.936 CV     1
 ASSI { 1198}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      5.600     3.900     0.400 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.88414E-04 ppm1      0.861 ppm2      4.083 CV     1
 ASSI { 1204}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.33471E-02 ppm1      0.942 ppm2      3.614 CV     1
 ASSI { 1211}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 30   and name HA  ))
      2.300     2.300     3.700 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.17276E-02 ppm1      0.754 ppm2      4.879 CV     1
 ASSI { 1219}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      0.826 ppm2      9.115 CV     1
 ASSI { 1232}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      4.000     2.000     2.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.74172E-03 ppm1      0.817 ppm2      3.813 CV     1
 ASSI { 1244}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      4.800     2.800     1.200 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.46282E-03 ppm1      0.735 ppm2      4.197 CV     1
 ASSI { 1258}
   (  segid "    " and resid 64   and name HD1%)
   (  segid "    " and resid 27   and name HB% )
      4.100     2.100     1.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.72058E-03 ppm1      0.628 ppm2      1.150 CV     1
 ASSI { 1262}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 61   and name HB% )
      4.300     2.300     1.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.40019E-03 ppm1      0.402 ppm2      1.436 CV     1
 ASSI { 1264}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.800     1.000     1.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.19881E-02 ppm1      0.481 ppm2      1.443 CV     1
 OR { 1264}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 1280}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.49833E-03 ppm1      9.161 ppm2      8.875 CV     1
 ASSI { 1281}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     3.200     2.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.15457E-02 ppm1      8.758 ppm2      9.095 CV     1
 ASSI { 1282}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.500     1.500 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.18330E-02 ppm1      8.452 ppm2      8.013 CV     1
 ASSI { 1287}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     2.300     3.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.20268E-02 ppm1      4.071 ppm2      3.540 CV     1
 ASSI { 1288}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.700     0.900     0.900 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.30271E-02 ppm1      4.282 ppm2      3.616 CV     1
 ASSI { 1290}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.300     3.300     2.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.23353E-02 ppm1      4.074 ppm2      3.623 CV     1
 ASSI { 1291}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.800     1.000     1.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.27786E-02 ppm1      4.022 ppm2      3.611 CV     1
 ASSI { 1293}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      3.200     1.200     1.200 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.18952E-02 ppm1      4.214 ppm2      3.628 CV     1
 ASSI { 1300}
   (( segid "    " and resid 12   and name HG11))
   (  segid "    " and resid 12   and name HD1%)
      2.400     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.55898E-02 ppm1      1.181 ppm2      0.864 CV     1
 OR { 1300}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 12   and name HD1%)
 ASSI { 1304}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.800     1.000     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.21286E-02 ppm1      1.055 ppm2      2.050 CV     1
 OR { 1304}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 21   and name HB  ))
 ASSI { 1307}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      3.300     1.300     1.300 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      0.695 ppm2      1.268 CV     1
 OR { 1307}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 1308}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.18337E-02 ppm1      9.065 ppm2      9.407 CV     1
 ASSI { 1310}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.200     1.200 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.23967E-02 ppm1      8.509 ppm2      8.864 CV     1
 ASSI { 1314}
   (( segid "    " and resid 50   and name HA2 ))
   (( segid "    " and resid 50   and name HA1 ))
      2.000     0.500     0.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.49315E-02 ppm1      4.456 ppm2      3.805 CV     1
 ASSI { 1318}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 70   and name HD1 ))
      3.300     3.300     2.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.22942E-02 ppm1      3.534 ppm2      3.222 CV     1
 ASSI { 1326}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HG1 ))
      1.900     0.400     0.400 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.17551E-01 ppm1      2.207 ppm2      1.647 CV     1
 OR { 1326}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI { 1328}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
      2.300     0.700     0.700 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.62281E-02 ppm1      2.244 ppm2      1.044 CV     1
 OR { 1328}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1329}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 65   and name HG2%)
      3.400     1.500     1.500 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.13115E-02 ppm1      2.242 ppm2      0.963 CV     1
 ASSI { 1332}
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 64   and name HB  ))
      2.500     0.800     0.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.31776E-02 ppm1      1.058 ppm2      1.870 CV     1
 OR { 1332}
   (( segid "    " and resid 64   and name HG11))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1333}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 29   and name HG2%)
      2.200     2.200     3.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.26373E-02 ppm1      1.058 ppm2      0.394 CV     1
 OR { 1333}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 29   and name HG2%)
 ASSI { 1335}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.18382E-02 ppm1      8.222 ppm2      7.649 CV     1
 ASSI { 1336}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     0.900     0.900 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.23341E-02 ppm1      7.907 ppm2      7.646 CV     1
 ASSI { 1337}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.600 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.18840E-02 ppm1      8.036 ppm2      7.648 CV     1
 ASSI { 1351}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HD2 ))
      1.800     0.400     0.400 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.64837E-02 ppm1      3.079 ppm2      3.525 CV     1
 ASSI { 1355}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      2.500     0.800     0.800 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.38151E-02 ppm1      1.720 ppm2      0.394 CV     1
 ASSI { 1357}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      2.500     0.800     0.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.62043E-02 ppm1      1.775 ppm2      0.455 CV     1
 OR { 1357}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1357}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
 OR { 1357}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1358}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HB  ))
      2.400     0.700     0.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.50671E-02 ppm1      1.180 ppm2      1.874 CV     1
 OR { 1358}
   (( segid "    " and resid 12   and name HG11))
   (( segid "    " and resid 12   and name HB  ))
 ASSI { 1360}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HG12))
      2.500     0.800     0.800 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.32043E-02 ppm1      0.631 ppm2      1.044 CV     1
 OR { 1360}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HG11))
 ASSI { 1363}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.31265E-02 ppm1      9.251 ppm2      9.065 CV     1
 ASSI { 1366}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      2.100     0.500     0.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.54779E-02 ppm1      2.041 ppm2      0.863 CV     1
 ASSI { 1372}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.38726E-02 ppm1      0.947 ppm2      2.123 CV     1
 OR { 1372}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1374}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG11))
      2.700     0.900     0.900 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.33806E-02 ppm1      0.924 ppm2      1.190 CV     1
 OR { 1374}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG12))
 ASSI { 1379}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.300     0.700     0.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.77404E-02 ppm1      8.180 ppm2      7.807 CV     1
 ASSI { 1414}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 13   and name HA2 ))
      2.000     2.000     4.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.44050E-02 ppm1      3.889 ppm2      4.303 CV     1
 OR { 1414}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 13   and name HA2 ))
 ASSI { 1416}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 13   and name HA2 ))
      2.500     0.800     0.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.49315E-02 ppm1      3.781 ppm2      4.279 CV     1
 ASSI { 1418}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.600     0.300     0.600 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.15748E-01 ppm1      3.219 ppm2      2.729 CV     1
 ASSI { 1420}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.100     0.500     0.500 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.96835E-02 ppm1      1.786 ppm2      2.220 CV     1
 OR { 1420}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HG1 ))
 OR { 1420}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HG2 ))
 OR { 1420}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI { 1425}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
      2.200     2.200     3.800 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.13023E-01 ppm1      0.823 ppm2      2.120 CV     1
 OR { 1425}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1429}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HA1 ))
      1.600     0.300     0.600 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.20404E-01 ppm1      4.297 ppm2      4.025 CV     1
 ASSI { 1432}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      1.900     0.500     0.500 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.15293E-01 ppm1      1.948 ppm2      0.742 CV     1
 OR { 1432}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1437}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 54   and name HB2 ))
      1.900     1.900     4.100 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.21968E-01 ppm1      0.744 ppm2      1.532 CV     1
 ASSI { 1439}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
      2.000     0.500     0.500 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.10134E-01 ppm1      0.835 ppm2      1.844 CV     1
 ASSI { 1441}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 61   and name HB% )
      2.100     0.600     0.600 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.12145E-01 ppm1      0.814 ppm2      1.438 CV     1
 ASSI { 1442}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.69383E-02 ppm1      0.867 ppm2      1.782 CV     1
 OR { 1442}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1446}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      2.400     0.700     0.700 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.43488E-02 ppm1      0.731 ppm2      1.719 CV     1
 ASSI { 1450}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      1.600     0.300     0.600 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.18202E-01 ppm1      3.946 ppm2      4.111 CV     1
 ASSI { 1451}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HD2 ))
      1.600     0.300     0.600 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.12161E-01 ppm1      3.666 ppm2      3.872 CV     1
 ASSI { 1453}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.700     0.400     0.500 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.16027E-01 ppm1      3.129 ppm2      2.863 CV     1
 ASSI { 1456}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HG1 ))
      1.700     0.400     0.500 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.13223E-01 ppm1      2.523 ppm2      2.354 CV     1
 ASSI { 1458}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 12   and name HG2%)
      2.300     2.300     3.700 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.15349E-01 ppm1      1.776 ppm2      0.925 CV     1
 OR { 1458}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI { 1459}
   (( segid "    " and resid 39   and name HG12))
   (  segid "    " and resid 39   and name HG2%)
      2.200     0.600     0.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.14404E-01 ppm1      1.665 ppm2      0.735 CV     1
 OR { 1459}
   (( segid "    " and resid 39   and name HG11))
   (  segid "    " and resid 39   and name HG2%)
 ASSI { 1461}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 43   and name HD1%)
      1.800     1.800     4.200 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.25012E-01 ppm1      1.540 ppm2      0.740 CV     1
 ASSI { 1465}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      1.500     0.300     0.700 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.24434E-01 ppm1      2.981 ppm2      2.673 CV     1
 ASSI { 1466}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      1.600     0.300     0.600 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.27881E-01 ppm1      2.938 ppm2      2.718 CV     1
 ASSI { 1470}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.500     0.300     0.700 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.39029E-01 ppm1      2.563 ppm2      2.746 CV     1
 ASSI { 1482}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.900     1.900     1.900 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.65713E-03 ppm1      9.250 ppm2      0.800 CV     1
 ASSI { 1489}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.900     1.900     1.900 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.69545E-03 ppm1      9.172 ppm2      1.837 CV     1
 ASSI { 1499}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.200     2.200     1.800 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.39444E-03 ppm1      8.827 ppm2      2.265 CV     1
 ASSI { 1515}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.86662E-03 ppm1      8.870 ppm2      1.458 CV     1
 ASSI { 1521}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.28005E-03 ppm1      8.754 ppm2      4.524 CV     1
 ASSI { 1522}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.200     2.200     1.800 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.46644E-03 ppm1      8.754 ppm2      0.807 CV     1
 ASSI { 1534}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
      3.500     1.500     1.500 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.97472E-03 ppm1      8.492 ppm2      0.834 CV     1
 ASSI { 1536}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HD2%)
      2.800     2.800     3.200 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.50471E-03 ppm1      8.420 ppm2      0.910 CV     1
 OR { 1536}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 1540}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.500     1.600     1.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.59810E-03 ppm1      8.177 ppm2      4.307 CV     1
 ASSI { 1547}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.400     1.500     1.500 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      8.276 ppm2      3.778 CV     1
 ASSI { 1561}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      3.800     1.800     1.800 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.40298E-03 ppm1      8.420 ppm2      1.871 CV     1
 ASSI { 1566}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.300     2.300     1.700 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.69383E-03 ppm1      8.374 ppm2      2.123 CV     1
 OR { 1566}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1591}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.11076E-02 ppm1      8.276 ppm2      2.052 CV     1
 OR { 1591}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI { 1597}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      4.300     2.300     1.700 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.31300E-03 ppm1      8.177 ppm2      0.938 CV     1
 ASSI { 1601}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.75290E-03 ppm1      8.092 ppm2      4.707 CV     1
 ASSI { 1610}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.700     1.700 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.35754E-03 ppm1      8.039 ppm2      3.614 CV     1
 ASSI { 1611}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      4.100     2.100     1.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.44726E-03 ppm1      8.039 ppm2      0.938 CV     1
 ASSI { 1618}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.500     1.600     1.600 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.27462E-03 ppm1      7.748 ppm2      1.282 CV     1
 ASSI { 1621}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG1 ))
      4.600     2.600     1.400 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.33950E-03 ppm1      7.748 ppm2      2.227 CV     1
 OR { 1621}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 1650}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.56816E-03 ppm1      7.260 ppm2      2.863 CV     1
 ASSI { 1656}
   (  segid "    " and resid 31   and name HD% )
   (( segid "    " and resid 32   and name HD1 ))
      4.900     3.000     1.100 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.34429E-03 ppm1      7.215 ppm2      3.663 CV     1
 ASSI { 1682}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.300     2.300     1.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.56578E-03 ppm1      5.410 ppm2      1.512 CV     1
 ASSI { 1693}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      4.100     2.100     1.900 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.67946E-03 ppm1      4.246 ppm2      0.862 CV     1
 ASSI { 1695}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      4.783 ppm2      1.663 CV     1
 ASSI { 1698}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 65   and name HG2%)
      3.800     3.800     2.200 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.82392E-03 ppm1      4.172 ppm2      0.938 CV     1
 ASSI { 1700}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.900     1.100     1.100 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.15593E-02 ppm1      4.783 ppm2      1.957 CV     1
 ASSI { 1703}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 12   and name HG2%)
      2.200     2.200     3.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.21988E-02 ppm1      4.275 ppm2      0.938 CV     1
 ASSI { 1705}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.400     1.400 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.57654E-03 ppm1      4.997 ppm2      4.405 CV     1
 ASSI { 1707}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.20675E-02 ppm1      4.757 ppm2      9.167 CV     1
 ASSI { 1709}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.15696E-02 ppm1      4.739 ppm2      8.792 CV     1
 ASSI { 1723}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      3.200     1.300     1.300 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.89533E-03 ppm1      4.142 ppm2      8.159 CV     1
 ASSI { 1724}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.16466E-02 ppm1      4.118 ppm2      8.018 CV     1
 ASSI { 1742}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      2.600     0.900     0.900 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.32737E-02 ppm1      4.235 ppm2      1.871 CV     1
 ASSI { 1743}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.200     0.600     0.600 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.72815E-02 ppm1      4.214 ppm2      1.797 CV     1
 ASSI { 1757}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.900     3.000     1.100 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.60206E-03 ppm1      4.246 ppm2      2.698 CV     1
 ASSI { 1759}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      3.878 ppm2      2.720 CV     1
 ASSI { 1763}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.43331E-03 ppm1      4.018 ppm2      7.737 CV     1
 ASSI { 1764}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 38   and name HG1 ))
      3.400     1.400     1.400 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.87181E-03 ppm1      3.997 ppm2      1.351 CV     1
 OR { 1764}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 38   and name HG1 ))
 ASSI { 1769}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.100     1.200     1.200 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.10761E-02 ppm1      3.815 ppm2      2.036 CV     1
 ASSI { 1770}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG1 ))
      3.400     1.500     1.500 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      3.781 ppm2      2.123 CV     1
 OR { 1770}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1790}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.900     1.900     1.900 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.38574E-03 ppm1      3.587 ppm2      3.152 CV     1
 ASSI { 1793}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.41535E-03 ppm1      3.620 ppm2      8.822 CV     1
 ASSI { 1806}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HB  ))
      4.000     2.000     2.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.59249E-03 ppm1      3.149 ppm2      1.871 CV     1
 ASSI { 1807}
   (( segid "    " and resid 52   and name HD1 ))
   (  segid "    " and resid 16   and name HG2%)
      4.100     2.100     1.900 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.35961E-03 ppm1      3.075 ppm2      1.044 CV     1
 ASSI { 1827}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.11774E-02 ppm1      2.872 ppm2      4.734 CV     1
 ASSI { 1831}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      4.200     2.200     1.800 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.45007E-03 ppm1      2.950 ppm2      0.746 CV     1
 ASSI { 1845}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.16742E-02 ppm1      2.683 ppm2      4.734 CV     1
 ASSI { 1863}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.23784E-02 ppm1      1.831 ppm2      4.241 CV     1
 OR { 1863}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 1873}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      3.100     1.200     1.200 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.42293E-02 ppm1      2.086 ppm2      3.778 CV     1
 ASSI { 1885}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.700     1.700 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.70183E-03 ppm1      2.139 ppm2      3.614 CV     1
 OR { 1885}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1891}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.10629E-02 ppm1      1.904 ppm2      8.626 CV     1
 ASSI { 1896}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.31293E-02 ppm1      1.639 ppm2      8.008 CV     1
 OR { 1896}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1900}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.94759E-03 ppm1      1.965 ppm2      8.365 CV     1
 ASSI { 1919}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     2.500     3.500 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.11303E-02 ppm1      1.831 ppm2      7.903 CV     1
 ASSI { 1930}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HD1 ))
      3.300     1.400     1.400 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.11822E-02 ppm1      1.432 ppm2      3.060 CV     1
 ASSI { 1933}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HD1 ))
      2.800     0.900     0.900 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.25703E-02 ppm1      1.931 ppm2      3.218 CV     1
 ASSI { 1936}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.23868E-02 ppm1      1.393 ppm2      3.009 CV     1
 ASSI { 1942}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.400     1.400 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.17484E-02 ppm1      1.766 ppm2      3.614 CV     1
 OR { 1942}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1944}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     1.600     1.600 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.13206E-02 ppm1      1.766 ppm2      8.861 CV     1
 OR { 1944}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1951}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.88376E-03 ppm1      1.546 ppm2      8.645 CV     1
 ASSI { 1961}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
      4.100     2.100     1.900 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.57374E-03 ppm1      1.467 ppm2      8.538 CV     1
 ASSI { 1963}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      2.900     2.900     3.100 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.47601E-03 ppm1      1.419 ppm2      9.408 CV     1
 ASSI { 1971}
   (( segid "    " and resid 29   and name HG12))
   (( segid "    " and resid 31   and name HB1 ))
      3.600     1.600     1.600 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      1.373 ppm2      2.741 CV     1
 OR { 1971}
   (( segid "    " and resid 29   and name HG11))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1973}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      4.200     2.200     1.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.35119E-03 ppm1      1.332 ppm2      4.307 CV     1
 ASSI { 1985}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HA2 ))
      4.600     2.700     1.400 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.28384E-03 ppm1      0.860 ppm2      4.270 CV     1
 ASSI { 1988}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.13318E-02 ppm1      0.825 ppm2      4.307 CV     1
 ASSI { 2005}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.700     2.800     1.300 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.39400E-03 ppm1      0.868 ppm2      5.404 CV     1
 ASSI { 2010}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      4.300     2.400     1.700 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.36707E-03 ppm1      0.868 ppm2      5.221 CV     1
 ASSI { 2011}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.76566E-03 ppm1      0.804 ppm2      8.414 CV     1
 ASSI { 2017}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 28   and name HN  ))
      4.100     2.100     1.900 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.40258E-03 ppm1      0.766 ppm2      8.852 CV     1
 ASSI { 2020}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 61   and name HA  ))
      4.500     2.600     1.500 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.33826E-03 ppm1      0.766 ppm2      3.810 CV     1
 ASSI { 2021}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.60925E-03 ppm1      0.732 ppm2      3.810 CV     1
 ASSI { 2030}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      4.500     2.500     1.500 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.21358E-03 ppm1      0.390 ppm2      7.211 CV     1
 ASSI { 2035}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.500     1.500 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.54141E-03 ppm1      9.414 ppm2      9.167 CV     1
 ASSI { 2036}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.81355E-03 ppm1      7.575 ppm2      8.018 CV     1
 ASSI { 2050}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      8.242 ppm2      8.645 CV     1
 ASSI { 2054}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 52   and name HG2 ))
      3.300     1.400     1.400 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.19886E-02 ppm1      2.208 ppm2      1.607 CV     1
 OR { 2054}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 2057}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.400     1.400 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.16163E-02 ppm1      8.192 ppm2      7.636 CV     1
 ASSI { 2058}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.92284E-03 ppm1      7.811 ppm2      8.414 CV     1
 ASSI { 2075}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.100     0.500     0.500 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.89494E-02 ppm1      1.944 ppm2      0.688 CV     1
 ASSI { 2076}
   (  segid "    " and resid 65   and name HG2%)
   (( segid "    " and resid 65   and name HB  ))
      2.000     0.500     0.500 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.13578E-01 ppm1      0.950 ppm2      1.837 CV     1
 ASSI { 2080}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 52   and name HG2 ))
      3.000     3.000     3.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.76247E-02 ppm1      0.766 ppm2      1.586 CV     1
 ASSI { 2081}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 52   and name HG2 ))
      2.600     0.800     0.800 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.68507E-02 ppm1      0.732 ppm2      1.586 CV     1
 ASSI { 2083}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.68426E-02 ppm1      0.732 ppm2      1.871 CV     1
 ASSI { 2085}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB  ))
      2.400     0.700     0.700 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.64118E-02 ppm1      0.868 ppm2      1.871 CV     1
 ASSI { 2093}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 43   and name HG2%)
      2.900     2.900     3.100 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.71497E-02 ppm1      0.398 ppm2      0.862 CV     1
! strongcutoff: 1.500 medcutoff: 0.750
! pseudo atoms: 
! 15 HA# 1.0
! 16 HG2# 1.0
! 16 HG1# 1.0
! 17 HB# 1.0
! 18 HB# 1.0
! 19 HG1# 1.0
! 20 HB# 1.0
! 20 HG# 1.0
! 21 HG## 3.0
! 22 HB# 1.0
! 24 HG## 3.0
! 24 HD## 3.0
! 25 HG# 1.0
! 25 HB# 1.0
! 29 HG2# 1.0
! 30 HB# 1.0
! 31 HD# 1.0
! 32 HB# 1.0
! 41 HG2# 1.0
! 61 HB# 1.0
! 63 HD2# 1.0
! 67 HB# 1.0
! intra: 0 seq: 112 med: 34 long: 42 or: 0 
! Intra 
! Sequential 
assign (resid  11 and name  HB1) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:    6 intensity:    0.37 order:1 {?}
assign (resid  11 and name  HB1) (resid  12 and name   HN) 5.0 3.2 0.0 ! peak:    6 intensity:    0.37 order:1 {?}
assign (resid  12 and name   HA) (resid  13 and name   HN) 5.0 3.2 0.0 ! peak:    8 intensity:    0.66 order:1 {?}
assign (resid  13 and name  HA2) (resid  14 and name  HD1) 3.4 1.6 0.0 ! peak:    9 intensity:    1.37 order:0 {?}
assign (resid  13 and name  HA1) (resid  14 and name  HD1) 2.8 1.0 0.0 ! peak:   10 intensity:    2.31 order:0 {?}
assign (resid  13 and name  HA1) (resid  14 and name  HD2) 2.8 1.0 0.0 ! peak:   11 intensity:    2.86 order:0 {?}
assign (resid  14 and name   HA) (resid  15 and name   HN) 2.8 1.0 0.0 ! peak:   12 intensity:    3.84 order:0 {?}
assign (resid  14 and name  HD1) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:   13 intensity:    0.46 order:1 {?}
assign (resid  14 and name  HD2) (resid  15 and name   HN) 5.0 3.2 0.0 ! peak:   14 intensity:    0.60 order:1 {?}
assign (resid  14 and name  HD1) (resid  15 and name  HA%) 2.8 1.0 1.0 ! peak:   18 intensity:    1.80 order:1 {?}
assign (resid  15 and name  HA%) (resid  16 and name   HN) 3.4 1.6 1.0 ! peak:   17 intensity:    0.87 order:0 {?}
assign (resid  15 and name  HA%) (resid  16 and name   HN) 3.4 1.6 1.0 ! peak:   17 intensity:    0.87 order:0 {?}
assign (resid  16 and name   HB) (resid  17 and name   HN) 3.4 1.6 0.0 ! peak:   21 intensity:    1.32 order:1 {?}
assign (resid  16 and name HG2%) (resid  17 and name   HN) 5.0 3.2 1.0 ! peak:   22 intensity:    0.39 order:1 {?}
assign (resid  16 and name HG1%) (resid  17 and name   HN) 2.8 1.0 1.0 ! peak:   23 intensity:    1.91 order:1 {?}
assign (resid  17 and name   HA) (resid  18 and name   HN) 5.0 3.2 0.0 ! peak:   26 intensity:    0.71 order:1 {?}
assign (resid  17 and name  HB%) (resid  18 and name   HN) 5.0 3.2 1.0 ! peak:   28 intensity:    0.46 order:1 {?}
assign (resid  17 and name   HN) (resid  18 and name   HN) 3.4 1.6 0.0 ! peak:   31 intensity:    0.76 order:1 {?}
assign (resid  17 and name   HA) (resid  18 and name  HB%) 3.4 1.6 1.0 ! peak:   37 intensity:    0.80 order:1 {?}
assign (resid  18 and name   HN) (resid  19 and name HG1%) 5.0 3.2 1.0 ! peak:   43 intensity:    0.44 order:0 {?}
assign (resid  18 and name  HB%) (resid  19 and name   HN) 3.4 1.6 1.0 ! peak:   45 intensity:    1.27 order:1 {?}
assign (resid  19 and name   HA) (resid  20 and name   HN) 2.8 1.0 0.0 ! peak:   46 intensity:    4.47 order:1 {?}
assign (resid  19 and name   HN) (resid  20 and name   HN) 5.0 3.2 0.0 ! peak:   47 intensity:    0.17 order:1 {?}
assign (resid  20 and name   HA) (resid  21 and name   HN) 2.8 1.0 0.0 ! peak:   58 intensity:    5.61 order:1 {?}
assign (resid  20 and name  HB%) (resid  21 and name   HN) 3.4 1.6 1.0 ! peak:   59 intensity:    1.40 order:1 {?}
assign (resid  20 and name  HG%) (resid  21 and name   HN) 5.0 3.2 1.0 ! peak:   60 intensity:    0.40 order:1 {?}
assign (resid  21 and name   HN) (resid  22 and name   HN) 2.8 1.0 0.0 ! peak:   72 intensity:    2.27 order:1 {?}
assign (resid  21 and name   HA) (resid  22 and name   HN) 5.0 3.2 0.0 ! peak:   74 intensity:    0.72 order:1 {?}
assign (resid  21 and name HG%%) (resid  22 and name   HN) 5.0 3.2 3.0 ! peak:   75 intensity:    0.58 order:1 {?}
assign (resid  22 and name   HN) (resid  23 and name   HN) 2.8 1.0 0.0 ! peak:   81 intensity:    1.77 order:1 {?}
assign (resid  22 and name   HA) (resid  23 and name   HN) 5.0 3.2 0.0 ! peak:   83 intensity:    0.54 order:1 {?}
assign (resid  22 and name  HB%) (resid  23 and name   HN) 2.8 1.0 1.0 ! peak:   86 intensity:    1.53 order:1 {?}
assign (resid  23 and name  HB1) (resid  24 and name   HN) 5.0 3.2 0.0 ! peak:   92 intensity:    0.25 order:1 {?}
assign (resid  23 and name  HB2) (resid  24 and name   HN) 5.0 3.2 0.0 ! peak:   93 intensity:    0.25 order:1 {?}
assign (resid  24 and name   HA) (resid  25 and name   HN) 2.8 1.0 0.0 ! peak:  101 intensity:    3.30 order:1 {?}
assign (resid  24 and name   HB) (resid  25 and name   HN) 5.0 3.2 0.0 ! peak:  114 intensity:    0.29 order:1 {?}
assign (resid  24 and name HG%%) (resid  25 and name   HN) 3.4 1.6 3.0 ! peak:  115 intensity:    0.93 order:1 {?}
assign (resid  25 and name   HA) (resid  26 and name   HN) 5.0 3.2 0.0 ! peak:  122 intensity:    0.29 order:1 {?}
assign (resid  25 and name   HN) (resid  26 and name   HN) 2.8 1.0 0.0 ! peak:  123 intensity:    2.18 order:1 {?}
assign (resid  25 and name  HB%) (resid  26 and name   HN) 2.8 1.0 1.0 ! peak:  125 intensity:    2.02 order:1 {?}
assign (resid  25 and name  HG%) (resid  26 and name   HN) 5.0 3.2 1.0 ! peak:  126 intensity:    0.45 order:1 {?}
assign (resid  26 and name   HN) (resid  27 and name   HN) 3.4 1.6 0.0 ! peak:  130 intensity:    1.00 order:1 {?}
assign (resid  27 and name   HA) (resid  28 and name   HN) 2.8 1.0 0.0 ! peak:  132 intensity:    2.54 order:0 {?}
assign (resid  27 and name   HA) (resid  28 and name   HN) 2.8 1.0 0.0 ! peak:  132 intensity:    2.54 order:0 {?}
assign (resid  27 and name  HB1) (resid  28 and name   HN) 3.4 1.6 0.0 ! peak:  143 intensity:    1.00 order:1 {?}
assign (resid  28 and name   HA) (resid  29 and name   HN) 5.0 3.2 0.0 ! peak:  149 intensity:    0.69 order:1 {?}
assign (resid  28 and name  HB1) (resid  29 and name   HN) 5.0 3.2 0.0 ! peak:  150 intensity:    0.33 order:1 {?}
assign (resid  28 and name  HB2) (resid  29 and name   HN) 5.0 3.2 0.0 ! peak:  151 intensity:    0.50 order:1 {?}
assign (resid  28 and name  HB1) (resid  29 and name   HB) 3.4 1.6 0.0 ! peak:  243 intensity:    0.77 order:1 {?}
assign (resid  28 and name  HB2) (resid  29 and name   HB) 5.0 3.2 0.0 ! peak:  244 intensity:    0.57 order:1 {?}
assign (resid  29 and name   HN) (resid  30 and name   HN) 5.0 3.2 0.0 ! peak:  154 intensity:    0.63 order:1 {?}
assign (resid  29 and name   HN) (resid  30 and name   HN) 5.0 3.2 0.0 ! peak:  154 intensity:    0.63 order:1 {?}
assign (resid  29 and name HG2%) (resid  30 and name   HN) 5.0 3.2 1.0 ! peak:  155 intensity:    0.75 order:1 {?}
assign (resid  30 and name   HA) (resid  31 and name   HN) 3.4 1.6 0.0 ! peak:  158 intensity:    1.12 order:1 {?}
assign (resid  30 and name  HB%) (resid  31 and name   HN) 5.0 3.2 1.0 ! peak:  159 intensity:    0.56 order:1 {?}
assign (resid  31 and name  HB2) (resid  32 and name  HD2) 3.4 1.6 0.0 ! peak:  161 intensity:    1.19 order:0 {?}
assign (resid  31 and name  HD%) (resid  32 and name  HD2) 5.0 3.2 1.0 ! peak:  169 intensity:    0.36 order:1 {?}
assign (resid  31 and name  HB2) (resid  32 and name  HD1) 5.0 3.2 0.0 ! peak:  170 intensity:    0.33 order:1 {?}
assign (resid  32 and name   HA) (resid  33 and name   HN) 5.0 3.2 0.0 ! peak:  175 intensity:    0.63 order:1 {?}
assign (resid  32 and name  HB%) (resid  33 and name   HN) 5.0 3.2 1.0 ! peak:  177 intensity:    0.39 order:1 {?}
assign (resid  34 and name   HN) (resid  35 and name   HN) 3.4 1.6 0.0 ! peak:  182 intensity:    1.07 order:0 {?}
assign (resid  34 and name   HN) (resid  35 and name   HN) 3.4 1.6 0.0 ! peak:  182 intensity:    1.07 order:0 {?}
assign (resid  35 and name   HN) (resid  36 and name  HB2) 2.8 1.0 0.0 ! peak:  187 intensity:    1.54 order:0 {?}
assign (resid  35 and name   HN) (resid  36 and name  HB2) 2.8 1.0 0.0 ! peak:  187 intensity:    1.54 order:0 {?}
assign (resid  36 and name   HN) (resid  37 and name   HN) 5.0 3.2 0.0 ! peak:  190 intensity:    0.50 order:0 {?}
assign (resid  37 and name   HN) (resid  38 and name   HN) 5.0 3.2 0.0 ! peak:  194 intensity:    0.38 order:1 {?}
assign (resid  37 and name   HA) (resid  38 and name   HN) 5.0 3.2 0.0 ! peak:  196 intensity:    0.50 order:1 {?}
assign (resid  38 and name   HN) (resid  39 and name   HN) 5.0 3.2 0.0 ! peak:  198 intensity:    0.48 order:0 {?}
assign (resid  38 and name   HA) (resid  39 and name   HN) 3.4 1.6 0.0 ! peak:  206 intensity:    1.26 order:1 {?}
assign (resid  38 and name  HG2) (resid  39 and name   HN) 3.4 1.6 0.0 ! peak:  210 intensity:    1.43 order:1 {?}
assign (resid  39 and name   HA) (resid  40 and name   HN) 2.8 1.0 0.0 ! peak:  212 intensity:    2.70 order:0 {?}
assign (resid  40 and name   HA) (resid  41 and name   HN) 3.4 1.6 0.0 ! peak:  226 intensity:    1.16 order:1 {?}
assign (resid  41 and name   HA) (resid  42 and name   HN) 5.0 3.2 0.0 ! peak:  241 intensity:    0.21 order:1 {?}
assign (resid  43 and name   HN) (resid  44 and name   HN) 5.0 3.2 0.0 ! peak:  245 intensity:    0.60 order:0 {?}
assign (resid  43 and name   HA) (resid  44 and name   HN) 2.8 1.0 0.0 ! peak:  251 intensity:    2.03 order:0 {?}
assign (resid  43 and name   HN) (resid  44 and name   HB) 5.0 3.2 0.0 ! peak:  253 intensity:    0.32 order:0 {?}
assign (resid  43 and name   HB) (resid  44 and name   HN) 5.0 3.2 0.0 ! peak:  264 intensity:    0.21 order:1 {?}
assign (resid  44 and name   HB) (resid  45 and name   HN) 5.0 3.2 0.0 ! peak:  271 intensity:    0.29 order:1 {?}
assign (resid  44 and name   HB) (resid  45 and name   HN) 5.0 3.2 0.0 ! peak:  271 intensity:    0.29 order:1 {?}
assign (resid  44 and name  HG1) (resid  45 and name   HN) 3.4 1.6 0.0 ! peak:  272 intensity:    1.25 order:1 {?}
assign (resid  44 and name  HG1) (resid  45 and name   HA) 5.0 3.2 0.0 ! peak:  278 intensity:    0.33 order:1 {?}
assign (resid  49 and name   HA) (resid  50 and name   HN) 5.0 3.2 0.0 ! peak:  296 intensity:    0.66 order:0 {?}
assign (resid  50 and name  HA1) (resid  51 and name   HA) 5.0 3.2 0.0 ! peak:  293 intensity:    0.49 order:0 {?}
assign (resid  53 and name  HB2) (resid  54 and name   HN) 5.0 3.2 0.0 ! peak:  299 intensity:    0.46 order:1 {?}
assign (resid  53 and name   HN) (resid  54 and name   HN) 5.0 3.2 0.0 ! peak:  304 intensity:    0.34 order:1 {?}
assign (resid  53 and name   HA) (resid  54 and name   HN) 2.8 1.0 0.0 ! peak:  305 intensity:    2.60 order:1 {?}
assign (resid  60 and name   HN) (resid  61 and name   HN) 3.4 1.6 0.0 ! peak:  306 intensity:    1.11 order:0 {?}
assign (resid  60 and name   HA) (resid  61 and name   HN) 5.0 3.2 0.0 ! peak:  307 intensity:    0.47 order:0 {?}
assign (resid  61 and name   HA) (resid  62 and name   HN) 5.0 3.2 0.0 ! peak:  315 intensity:    0.43 order:1 {?}
assign (resid  61 and name   HN) (resid  62 and name   HN) 2.8 1.0 0.0 ! peak:  318 intensity:    1.87 order:1 {?}
assign (resid  61 and name  HB%) (resid  62 and name   HN) 2.8 1.0 1.0 ! peak:  322 intensity:    2.29 order:1 {?}
assign (resid  61 and name  HB%) (resid  62 and name   HA) 5.0 3.2 1.0 ! peak:  323 intensity:    0.31 order:1 {?}
assign (resid  61 and name   HN) (resid  62 and name   HA) 5.0 3.2 0.0 ! peak:  326 intensity:    0.20 order:1 {?}
assign (resid  62 and name   HN) (resid  63 and name   HN) 2.8 1.0 0.0 ! peak:  331 intensity:    2.45 order:1 {?}
assign (resid  62 and name   HA) (resid  63 and name   HN) 5.0 3.2 0.0 ! peak:  333 intensity:    0.66 order:1 {?}
assign (resid  63 and name   HA) (resid  64 and name   HN) 5.0 3.2 0.0 ! peak:  340 intensity:    0.72 order:1 {?}
assign (resid  63 and name   HA) (resid  64 and name   HN) 5.0 3.2 0.0 ! peak:  340 intensity:    0.72 order:1 {?}
assign (resid  63 and name HD2%) (resid  64 and name   HN) 5.0 3.2 1.0 ! peak:  341 intensity:    0.29 order:1 {?}
assign (resid  64 and name   HN) (resid  65 and name   HN) 2.8 1.0 0.0 ! peak:  346 intensity:    1.90 order:1 {?}
assign (resid  64 and name   HA) (resid  65 and name   HN) 5.0 3.2 0.0 ! peak:  347 intensity:    0.64 order:1 {?}
assign (resid  65 and name   HN) (resid  66 and name   HN) 3.4 1.6 0.0 ! peak:  335 intensity:    1.37 order:1 {?}
assign (resid  65 and name   HN) (resid  66 and name   HN) 3.4 1.6 0.0 ! peak:  335 intensity:    1.37 order:1 {?}
assign (resid  65 and name   HN) (resid  66 and name   HN) 3.4 1.6 0.0 ! peak:  335 intensity:    1.37 order:1 {?}
assign (resid  65 and name   HA) (resid  66 and name   HN) 5.0 3.2 0.0 ! peak:  349 intensity:    0.69 order:1 {?}
assign (resid  67 and name   HN) (resid  68 and name   HN) 2.8 1.0 0.0 ! peak:  357 intensity:    2.53 order:0 {?}
assign (resid  67 and name   HN) (resid  68 and name   HN) 2.8 1.0 0.0 ! peak:  357 intensity:    2.53 order:0 {?}
assign (resid  67 and name   HN) (resid  68 and name   HN) 2.8 1.0 0.0 ! peak:  357 intensity:    2.53 order:0 {?}
assign (resid  67 and name  HB%) (resid  68 and name   HN) 2.8 1.0 1.0 ! peak:  364 intensity:    1.70 order:1 {?}
assign (resid  68 and name   HN) (resid  69 and name   HN) 2.8 1.0 0.0 ! peak:  370 intensity:    3.68 order:1 {?}
assign (resid  68 and name   HA) (resid  69 and name   HN) 3.4 1.6 0.0 ! peak:  372 intensity:    1.47 order:1 {?}
assign (resid  69 and name  HB1) (resid  70 and name   HN) 5.0 3.2 0.0 ! peak:  375 intensity:    0.65 order:1 {?}
assign (resid  69 and name   HN) (resid  70 and name   HN) 2.8 1.0 0.0 ! peak:  377 intensity:    2.30 order:1 {?}
! Medium 
assign (resid  16 and name   HB) (resid  18 and name   HN) 5.0 3.2 0.0 ! peak:   27 intensity:    0.74 order:1 {?}
assign (resid  16 and name HG2%) (resid  18 and name   HN) 5.0 3.2 1.0 ! peak:   29 intensity:    0.43 order:1 {?}
assign (resid  20 and name   HN) (resid  23 and name  HB1) 5.0 3.2 0.0 ! peak:   52 intensity:    0.23 order:0 {?}
assign (resid  20 and name   HN) (resid  23 and name  HB2) 5.0 3.2 0.0 ! peak:   53 intensity:    0.10 order:0 {?}
assign (resid  20 and name  HB%) (resid  22 and name   HN) 2.8 1.0 1.0 ! peak:   71 intensity:    1.90 order:1 {?}
assign (resid  21 and name   HA) (resid  24 and name HD%%) 5.0 3.2 3.0 ! peak:   70 intensity:    0.40 order:0 {?}
assign (resid  21 and name   HN) (resid  23 and name   HN) 5.0 3.2 0.0 ! peak:   80 intensity:    0.30 order:1 {?}
assign (resid  21 and name   HA) (resid  23 and name   HN) 5.0 3.2 0.0 ! peak:   84 intensity:    0.36 order:1 {?}
assign (resid  21 and name   HA) (resid  24 and name   HN) 5.0 3.2 0.0 ! peak:   90 intensity:    0.42 order:1 {?}
assign (resid  22 and name   HA) (resid  24 and name   HN) 5.0 3.2 0.0 ! peak:   77 intensity:    0.28 order:0 {?}
assign (resid  22 and name   HA) (resid  24 and name   HN) 5.0 3.2 0.0 ! peak:   77 intensity:    0.28 order:0 {?}
assign (resid  22 and name  HB%) (resid  24 and name   HN) 5.0 3.2 1.0 ! peak:   79 intensity:    0.56 order:0 {?}
assign (resid  24 and name   HA) (resid  26 and name   HN) 5.0 3.2 0.0 ! peak:  121 intensity:    0.43 order:1 {?}
assign (resid  24 and name HG%%) (resid  26 and name   HN) 2.8 1.0 3.0 ! peak:  129 intensity:    1.62 order:1 {?}
assign (resid  34 and name   HN) (resid  36 and name   HN) 5.0 3.2 0.0 ! peak:  183 intensity:    0.57 order:0 {?}
assign (resid  34 and name   HA) (resid  36 and name   HN) 3.4 1.6 0.0 ! peak:  189 intensity:    0.83 order:1 {?}
assign (resid  60 and name   HA) (resid  63 and name   HN) 5.0 3.2 0.0 ! peak:  308 intensity:    0.43 order:0 {?}
assign (resid  60 and name   HA) (resid  62 and name   HN) 5.0 3.2 0.0 ! peak:  316 intensity:    0.39 order:1 {?}
assign (resid  60 and name   HN) (resid  62 and name   HN) 5.0 3.2 0.0 ! peak:  321 intensity:    0.15 order:1 {?}
assign (resid  61 and name   HA) (resid  64 and name   HB) 2.8 1.0 0.0 ! peak:  314 intensity:    1.77 order:0 {?}
assign (resid  61 and name   HA) (resid  63 and name   HN) 5.0 3.2 0.0 ! peak:  330 intensity:    0.13 order:1 {?}
assign (resid  61 and name   HA) (resid  64 and name   HN) 5.0 3.2 0.0 ! peak:  336 intensity:    0.57 order:1 {?}
assign (resid  62 and name   HA) (resid  64 and name   HN) 5.0 3.2 0.0 ! peak:  328 intensity:    0.37 order:0 {?}
assign (resid  62 and name   HA) (resid  64 and name   HN) 5.0 3.2 0.0 ! peak:  328 intensity:    0.37 order:0 {?}
assign (resid  62 and name   HA) (resid  65 and name   HN) 5.0 3.2 0.0 ! peak:  329 intensity:    0.64 order:0 {?}
assign (resid  63 and name   HA) (resid  65 and name   HN) 5.0 3.2 0.0 ! peak:  345 intensity:    0.72 order:1 {?}
assign (resid  64 and name   HA) (resid  67 and name   HN) 5.0 3.2 0.0 ! peak:  352 intensity:    0.56 order:1 {?}
assign (resid  64 and name   HA) (resid  68 and name   HN) 5.0 3.2 0.0 ! peak:  359 intensity:    0.26 order:1 {?}
assign (resid  65 and name   HN) (resid  67 and name   HN) 3.4 1.6 0.0 ! peak:  353 intensity:    0.82 order:1 {?}
assign (resid  65 and name   HA) (resid  67 and name   HN) 5.0 3.2 0.0 ! peak:  354 intensity:    0.26 order:1 {?}
assign (resid  65 and name   HA) (resid  68 and name   HN) 5.0 3.2 0.0 ! peak:  360 intensity:    0.25 order:1 {?}
assign (resid  65 and name   HA) (resid  69 and name   HN) 5.0 3.2 0.0 ! peak:  365 intensity:    0.30 order:1 {?}
assign (resid  66 and name   HA) (resid  69 and name   HN) 3.4 1.6 0.0 ! peak:  366 intensity:    0.90 order:1 {?}
assign (resid  67 and name   HN) (resid  69 and name   HN) 2.8 1.0 0.0 ! peak:  368 intensity:    2.45 order:1 {?}
! Long 
assign (resid  20 and name  HB%) (resid  46 and name   HN) 5.0 3.2 1.0 ! peak:  119 intensity:    0.69 order:0 {?}
assign (resid  24 and name   HA) (resid  45 and name   HA) 5.0 3.2 0.0 ! peak:   99 intensity:    0.60 order:0 {?}
assign (resid  24 and name   HA) (resid  44 and name   HN) 5.0 3.2 0.0 ! peak:  258 intensity:    0.34 order:1 {?}
assign (resid  24 and name   HA) (resid  46 and name   HN) 5.0 3.2 0.0 ! peak:  279 intensity:    0.73 order:1 {?}
assign (resid  25 and name   HN) (resid  44 and name   HB) 5.0 3.2 0.0 ! peak:  109 intensity:    0.33 order:0 {?}
assign (resid  25 and name   HN) (resid  44 and name   HB) 5.0 3.2 0.0 ! peak:  109 intensity:    0.33 order:0 {?}
assign (resid  25 and name   HN) (resid  44 and name   HN) 2.8 1.0 0.0 ! peak:  111 intensity:    1.93 order:0 {?}
assign (resid  25 and name   HN) (resid  46 and name   HN) 3.4 1.6 0.0 ! peak:  113 intensity:    1.21 order:0 {?}
assign (resid  25 and name  HB%) (resid  44 and name   HB) 3.4 1.6 1.0 ! peak:  116 intensity:    0.93 order:0 {?}
assign (resid  25 and name  HB%) (resid  46 and name   HN) 2.8 1.0 1.0 ! peak:  118 intensity:    2.22 order:0 {?}
assign (resid  25 and name   HN) (resid  45 and name   HN) 5.0 3.2 0.0 ! peak:  270 intensity:    0.23 order:1 {?}
assign (resid  25 and name   HN) (resid  45 and name   HA) 5.0 3.2 0.0 ! peak:  273 intensity:    0.68 order:1 {?}
assign (resid  26 and name   HN) (resid  44 and name  HG1) 5.0 3.2 0.0 ! peak:  128 intensity:    0.36 order:0 {?}
assign (resid  26 and name   HN) (resid  44 and name  HG1) 5.0 3.2 0.0 ! peak:  128 intensity:    0.36 order:0 {?}
assign (resid  26 and name   HN) (resid  44 and name   HN) 5.0 3.2 0.0 ! peak:  260 intensity:    0.55 order:1 {?}
assign (resid  26 and name   HN) (resid  45 and name   HA) 5.0 3.2 0.0 ! peak:  274 intensity:    0.33 order:1 {?}
assign (resid  27 and name   HA) (resid  43 and name   HA) 3.4 1.6 0.0 ! peak:  135 intensity:    0.75 order:0 {?}
assign (resid  27 and name  HB3) (resid  41 and name HG2%) 3.4 1.6 1.0 ! peak:  235 intensity:    1.11 order:1 {?}
assign (resid  27 and name   HA) (resid  42 and name   HN) 5.0 3.2 0.0 ! peak:  237 intensity:    0.13 order:1 {?}
assign (resid  27 and name   HA) (resid  33 and name   HA) 3.4 1.6 0.0 ! peak:  249 intensity:    1.29 order:1 {?}
assign (resid  27 and name   HA) (resid  44 and name   HN) 5.0 3.2 0.0 ! peak:  261 intensity:    0.22 order:1 {?}
assign (resid  27 and name  HB1) (resid  44 and name   HN) 5.0 3.2 0.0 ! peak:  262 intensity:    0.14 order:1 {?}
assign (resid  28 and name  HB2) (resid  42 and name   HB) 5.0 3.2 0.0 ! peak:  147 intensity:    0.66 order:0 {?}
assign (resid  28 and name  HB2) (resid  42 and name   HB) 5.0 3.2 0.0 ! peak:  147 intensity:    0.66 order:0 {?}
assign (resid  28 and name  HB1) (resid  42 and name   HN) 5.0 3.2 0.0 ! peak:  238 intensity:    0.12 order:1 {?}
assign (resid  28 and name  HB2) (resid  42 and name   HN) 5.0 3.2 0.0 ! peak:  239 intensity:    0.14 order:1 {?}
assign (resid  28 and name   HN) (resid  43 and name   HA) 5.0 3.2 0.0 ! peak:  250 intensity:    0.64 order:1 {?}
assign (resid  29 and name HG2%) (resid  41 and name HG2%) 2.8 1.0 2.0 ! peak:  236 intensity:    3.55 order:1 {?}
assign (resid  32 and name   HA) (resid  38 and name   HN) 3.4 1.6 0.0 ! peak:  165 intensity:    0.90 order:0 {?}
assign (resid  32 and name   HA) (resid  38 and name   HN) 3.4 1.6 0.0 ! peak:  165 intensity:    0.90 order:0 {?}
assign (resid  32 and name  HB%) (resid  38 and name   HN) 5.0 3.2 1.0 ! peak:  193 intensity:    0.30 order:1 {?}
assign (resid  32 and name  HD1) (resid  39 and name   HA) 3.4 1.6 0.0 ! peak:  213 intensity:    1.02 order:1 {?}
assign (resid  32 and name  HD2) (resid  39 and name   HA) 5.0 3.2 0.0 ! peak:  214 intensity:    0.73 order:1 {?}
assign (resid  32 and name  HD2) (resid  39 and name   HB) 5.0 3.2 0.0 ! peak:  215 intensity:    0.56 order:1 {?}
assign (resid  41 and name   HN) (resid  53 and name   HA) 5.0 3.2 0.0 ! peak:  232 intensity:    0.32 order:0 {?}
assign (resid  41 and name   HN) (resid  54 and name   HN) 5.0 3.2 0.0 ! peak:  301 intensity:    0.24 order:1 {?}
assign (resid  41 and name   HB) (resid  54 and name   HN) 5.0 3.2 0.0 ! peak:  302 intensity:    0.51 order:1 {?}
assign (resid  42 and name HG21) (resid  53 and name   HA) 5.0 3.2 0.0 ! peak:  218 intensity:    0.28 order:0 {?}
assign (resid  42 and name HG21) (resid  53 and name   HA) 5.0 3.2 0.0 ! peak:  218 intensity:    0.28 order:0 {?}
assign (resid  43 and name   HN) (resid  52 and name   HN) 5.0 3.2 0.0 ! peak:  229 intensity:    0.54 order:1 {?}
assign (resid  43 and name   HN) (resid  53 and name   HA) 5.0 3.2 0.0 ! peak:  247 intensity:    0.23 order:0 {?}
assign (resid  43 and name   HN) (resid  54 and name   HN) 5.0 3.2 0.0 ! peak:  303 intensity:    0.13 order:1 {?}
! Or 
 ASSI {   11}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     1.400     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.23508E-02 ppm1      9.407 ppm2      0.721 CV     1
 OR {   11}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI {   14}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.600     3.600     2.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      9.407 ppm2      1.851 CV     1
 OR {   14}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI {   23}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.400     3.400     2.600 peak    23 spectrum    1 weight  0.10000E+01 volume  0.22463E-02 ppm1      9.250 ppm2      1.458 CV     1
 OR {   23}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
 ASSI {   34}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      4.700     2.700     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.76566E-03 ppm1      9.250 ppm2      0.745 CV     1
 OR {   34}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {   42}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.23337E-02 ppm1      9.170 ppm2      4.771 CV     1
 OR {   42}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {   43}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     0.700     0.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.36504E-02 ppm1      9.068 ppm2      4.831 CV     1
 OR {   43}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {   50}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.31217E-02 ppm1      9.169 ppm2      1.946 CV     1
 OR {   50}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {   53}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.12776E-02 ppm1      9.171 ppm2      1.865 CV     1
 OR {   53}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {   55}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.700     1.700     1.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.60168E-03 ppm1      9.166 ppm2      2.122 CV     1
 OR {   55}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR {   55}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {   60}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.500     1.500     1.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.95440E-03 ppm1      9.172 ppm2      1.515 CV     1
 OR {   60}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {   70}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      3.500     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      9.171 ppm2      0.735 CV     1
 OR {   70}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {   72}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      3.900     1.900     1.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.12269E-02 ppm1      9.070 ppm2      0.723 CV     1
 OR {   72}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 OR {   72}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
 OR {   72}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
 ASSI {   81}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.84344E-03 ppm1      9.059 ppm2      3.195 CV     1
 OR {   81}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   83}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.900     1.900     1.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.76128E-03 ppm1      9.068 ppm2      8.456 CV     1
 OR {   83}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {   84}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.900     1.900     1.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.72615E-03 ppm1      9.062 ppm2      1.778 CV     1
 OR {   84}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {   84}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {   84}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {   85}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      3.400     1.500     1.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      9.062 ppm2      1.866 CV     1
 OR {   85}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
 OR {   85}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  118}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      3.100     3.100     2.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.35458E-02 ppm1      8.866 ppm2      0.740 CV     1
 OR {  118}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  122}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      2.400     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.29665E-02 ppm1      8.866 ppm2      1.665 CV     1
 OR {  122}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI {  131}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.78161E-03 ppm1      8.827 ppm2      3.616 CV     1
 OR {  131}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  140}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.30854E-03 ppm1      8.771 ppm2      8.452 CV     1
 OR {  140}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  144}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      3.500     1.500     1.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.87338E-03 ppm1      8.750 ppm2      0.750 CV     1
 OR {  144}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  164}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.800     1.800     1.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.10466E-02 ppm1      8.653 ppm2      1.549 CV     1
 OR {  164}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  169}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.900     1.900     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.78280E-03 ppm1      8.630 ppm2      0.723 CV     1
 OR {  169}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR {  169}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
 ASSI {  184}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     3.300     2.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.14583E-02 ppm1      8.295 ppm2      0.740 CV     1
 OR {  184}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
 OR {  184}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  187}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.10102E-02 ppm1      8.445 ppm2      0.723 CV     1
 OR {  187}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
 ASSI {  189}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.700     1.700     1.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.23102E-02 ppm1      8.482 ppm2      0.805 CV     1
 OR {  189}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  191}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      3.500     1.500     1.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.98710E-03 ppm1      8.518 ppm2      0.742 CV     1
 OR {  191}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 OR {  191}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  195}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      3.700     1.700     1.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.98510E-03 ppm1      8.512 ppm2      1.654 CV     1
 OR {  195}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 OR {  195}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  197}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10888E-02 ppm1      8.505 ppm2      1.509 CV     1
 OR {  197}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
 OR {  197}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI {  208}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG12))
      4.700     2.800     1.300 peak   208 spectrum    1 weight  0.10000E+01 volume  0.32063E-03 ppm1      8.423 ppm2      1.048 CV     1
 OR {  208}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG11))
 OR {  208}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  222}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.25384E-02 ppm1      7.810 ppm2      4.157 CV     1
 OR {  222}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  229}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.76085E-03 ppm1      8.418 ppm2      4.144 CV     1
 OR {  229}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  233}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     2.300     3.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.57854E-02 ppm1      8.277 ppm2      4.404 CV     1
 OR {  233}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  233}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  245}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      8.036 ppm2      4.165 CV     1
 OR {  245}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  250}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak   250 spectrum    1 weight  0.10000E+01 volume  0.96954E-03 ppm1      8.305 ppm2      4.418 CV     1
 OR {  250}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  259}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.22028E-02 ppm1      7.749 ppm2      1.778 CV     1
 OR {  259}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  259}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  261}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.28556E-02 ppm1      8.294 ppm2      1.289 CV     1
 OR {  261}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  261}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI {  270}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.900     1.100     1.100 peak   270 spectrum    1 weight  0.10000E+01 volume  0.13143E-02 ppm1      7.742 ppm2      2.018 CV     1
 OR {  270}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
 ASSI {  271}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.300     0.600     0.600 peak   271 spectrum    1 weight  0.10000E+01 volume  0.50671E-02 ppm1      7.840 ppm2      1.871 CV     1
 OR {  271}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  273}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.700     0.900     0.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.51471E-02 ppm1      8.018 ppm2      1.879 CV     1
 OR {  273}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  279}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      1.700     1.700     4.300 peak   279 spectrum    1 weight  0.10000E+01 volume  0.15952E-01 ppm1      8.292 ppm2      1.800 CV     1
 OR {  279}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  279}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
 OR {  279}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
 ASSI {  284}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
      2.200     0.600     0.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.10809E-01 ppm1      8.021 ppm2      1.678 CV     1
 OR {  284}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
 OR {  284}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
 ASSI {  286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.85144E-02 ppm1      8.300 ppm2      1.950 CV     1
 OR {  286}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  290}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.25268E-02 ppm1      8.295 ppm2      1.661 CV     1
 OR {  290}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
 OR {  290}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 OR {  290}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  298}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.900     2.900     3.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.31440E-02 ppm1      8.292 ppm2      1.461 CV     1
 OR {  298}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 OR {  298}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  299}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      2.900     2.900     3.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.15437E-02 ppm1      8.280 ppm2      1.416 CV     1
 OR {  299}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 OR {  299}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  300}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.300     1.400     1.400 peak   300 spectrum    1 weight  0.10000E+01 volume  0.20600E-02 ppm1      8.195 ppm2      1.948 CV     1
 OR {  300}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  307}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.200     1.300     1.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.13713E-02 ppm1      8.445 ppm2      1.937 CV     1
 OR {  307}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.000     2.000     2.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.67669E-03 ppm1      7.801 ppm2      1.881 CV     1
 OR {  311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {  314}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak   314 spectrum    1 weight  0.10000E+01 volume  0.77604E-03 ppm1      7.749 ppm2      1.897 CV     1
 OR {  314}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 OR {  314}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  316}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.500     2.500     1.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.49196E-03 ppm1      8.451 ppm2      1.775 CV     1
 OR {  316}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  322}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.93245E-03 ppm1      8.452 ppm2      4.784 CV     1
 OR {  322}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  328}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      8.420 ppm2      7.634 CV     1
 OR {  328}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  330}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.79955E-03 ppm1      8.369 ppm2      9.168 CV     1
 OR {  330}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  336}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.12464E-02 ppm1      8.292 ppm2      8.857 CV     1
 OR {  336}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  342}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      8.269 ppm2      4.736 CV     1
 OR {  342}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  344}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.100     2.100     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.48838E-03 ppm1      8.244 ppm2      3.619 CV     1
 OR {  344}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  395}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      2.700     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.32613E-02 ppm1      7.665 ppm2      1.378 CV     1
 OR {  395}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {  399}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.500     2.500     1.500 peak   399 spectrum    1 weight  0.10000E+01 volume  0.35179E-03 ppm1      7.746 ppm2      4.109 CV     1
 OR {  399}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  401}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.13633E-02 ppm1      7.747 ppm2      3.997 CV     1
 OR {  401}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  416}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.25767E-02 ppm1      7.640 ppm2      4.137 CV     1
 OR {  416}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  419}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.54103E-02 ppm1      7.640 ppm2      1.953 CV     1
 OR {  419}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  423}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HG2%)
      3.200     1.300     1.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      7.642 ppm2      0.940 CV     1
 OR {  423}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI {  432}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.10932E-02 ppm1      7.575 ppm2      4.750 CV     1
 OR {  432}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  434}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.600     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.46401E-02 ppm1      7.573 ppm2      1.688 CV     1
 OR {  434}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI {  453}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.400     1.400     1.400 peak   453 spectrum    1 weight  0.10000E+01 volume  0.13973E-02 ppm1      7.367 ppm2      0.836 CV     1
 OR {  453}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI {  471}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.900     1.900     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.56259E-03 ppm1      7.267 ppm2      2.742 CV     1
 OR {  471}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  545}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HG2%)
      4.100     2.100     1.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.51228E-03 ppm1      3.940 ppm2      0.932 CV     1
 OR {  545}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI {  554}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 12   and name HD1%)
      1.800     1.800     4.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.93322E-02 ppm1      4.275 ppm2      0.856 CV     1
 OR {  554}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
 OR {  554}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI {  560}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     3.200     2.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.20073E-02 ppm1      4.837 ppm2      1.460 CV     1
 OR {  560}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
 ASSI {  592}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.800     1.000     1.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.37561E-02 ppm1      4.781 ppm2      2.724 CV     1
 OR {  592}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
 ASSI {  597}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.18210E-02 ppm1      4.755 ppm2      2.713 CV     1
 OR {  597}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  610}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     2.400     3.600 peak   610 spectrum    1 weight  0.10000E+01 volume  0.22124E-02 ppm1      4.529 ppm2      9.064 CV     1
 OR {  610}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  616}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.36488E-02 ppm1      4.309 ppm2      7.955 CV     1
 OR {  616}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  641}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.31596E-02 ppm1      4.278 ppm2      8.285 CV     1
 OR {  641}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  652}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14814E-02 ppm1      4.146 ppm2      7.812 CV     1
 OR {  652}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  655}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   655 spectrum    1 weight  0.10000E+01 volume  0.12508E-02 ppm1      3.778 ppm2      8.276 CV     1
 OR {  655}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  669}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     2.600     3.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.78242E-02 ppm1      4.143 ppm2      1.948 CV     1
 OR {  669}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  669}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 OR {  669}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  671}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      2.600     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.27734E-02 ppm1      4.410 ppm2      1.916 CV     1
 OR {  671}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  676}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.33467E-02 ppm1      4.172 ppm2      1.958 CV     1
 OR {  676}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 OR {  676}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  690}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HG1 ))
      2.600     2.600     3.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.63119E-02 ppm1      4.269 ppm2      1.449 CV     1
 OR {  690}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  690}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  706}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      2.400     0.700     0.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.66951E-02 ppm1      4.011 ppm2      2.729 CV     1
 OR {  706}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
 OR {  706}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  708}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.900     1.900     1.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.57892E-03 ppm1      3.958 ppm2      2.732 CV     1
 OR {  708}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  710}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.600     1.600     1.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.18876E-02 ppm1      3.999 ppm2      1.777 CV     1
 OR {  710}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 49   and name HB1 ))
 OR {  710}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  714}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.48838E-02 ppm1      3.998 ppm2      1.881 CV     1
 OR {  714}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 26   and name HB2 ))
 OR {  714}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR {  714}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 OR {  714}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  716}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.36384E-02 ppm1      3.997 ppm2      1.956 CV     1
 OR {  716}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 24   and name HB  ))
 OR {  716}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  716}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  729}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     2.800     3.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.68626E-03 ppm1      3.998 ppm2      3.206 CV     1
 OR {  729}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  729}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  729}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  735}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.600     1.600 peak   735 spectrum    1 weight  0.10000E+01 volume  0.17819E-02 ppm1      3.888 ppm2      8.795 CV     1
 OR {  735}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  745}
   (( segid "    " and resid 50   and name HA1 ))
   (( segid "    " and resid 51   and name HB2 ))
      3.300     1.300     1.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.17727E-02 ppm1      3.826 ppm2      1.982 CV     1
 OR {  745}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  745}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
 OR {  745}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  746}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.63000E-03 ppm1      3.818 ppm2      2.218 CV     1
 OR {  746}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  746}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  749}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      3.100     1.200     1.200 peak   749 spectrum    1 weight  0.10000E+01 volume  0.25368E-02 ppm1      3.814 ppm2      0.737 CV     1
 OR {  749}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 41   and name HG1%)
 ASSI {  752}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      3.500     1.500     1.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.18162E-02 ppm1      3.815 ppm2      0.812 CV     1
 OR {  752}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  771}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      3.500     1.500     1.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.11164E-02 ppm1      3.625 ppm2      2.228 CV     1
 OR {  771}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
 OR {  771}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  773}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.100     1.200     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.91927E-03 ppm1      3.671 ppm2      1.958 CV     1
 OR {  773}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  773}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  776}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 52   and name HG2 ))
      3.700     1.700     1.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.62643E-03 ppm1      3.619 ppm2      1.599 CV     1
 OR {  776}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI {  783}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      3.700     1.700     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.75448E-03 ppm1      3.546 ppm2      0.615 CV     1
 OR {  783}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  788}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      3.200     1.300     1.300 peak   788 spectrum    1 weight  0.10000E+01 volume  0.23891E-02 ppm1      3.626 ppm2      0.869 CV     1
 OR {  788}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  798}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.83949E-03 ppm1      3.629 ppm2      8.282 CV     1
 OR {  798}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  800}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.800     1.000     1.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.43250E-02 ppm1      3.621 ppm2      1.754 CV     1
 OR {  800}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  800}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HB  ))
 OR {  800}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  802}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.13135E-02 ppm1      3.613 ppm2      7.632 CV     1
 OR {  802}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  825}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 70   and name HB1 ))
      2.200     0.600     0.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.97034E-02 ppm1      3.212 ppm2      1.881 CV     1
 OR {  825}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI {  831}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.18134E-02 ppm1      3.219 ppm2      7.214 CV     1
 OR {  831}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 70   and name HE  ))
 ASSI {  835}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      3.207 ppm2      4.739 CV     1
 OR {  835}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  835}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 OR {  835}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  856}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      3.100     3.100     2.900 peak   856 spectrum    1 weight  0.10000E+01 volume  0.30411E-02 ppm1      2.933 ppm2      1.656 CV     1
 OR {  856}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI {  878}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.85305E-03 ppm1      2.755 ppm2      7.560 CV     1
 OR {  878}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  879}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.55698E-03 ppm1      2.730 ppm2      7.569 CV     1
 OR {  879}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  897}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.10593E-02 ppm1      2.724 ppm2      8.780 CV     1
 OR {  897}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  925}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     2.900     3.100 peak   925 spectrum    1 weight  0.10000E+01 volume  0.56378E-03 ppm1      2.338 ppm2      4.497 CV     1
 OR {  925}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 50   and name HA2 ))
 ASSI {  928}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.79598E-03 ppm1      2.327 ppm2      9.165 CV     1
 OR {  928}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  932}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 44   and name HB  ))
      4.000     2.000     2.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.11575E-02 ppm1      1.786 ppm2      3.995 CV     1
 OR {  932}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR {  932}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  949}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      2.000     2.000     4.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.14284E-01 ppm1      1.794 ppm2      4.271 CV     1
 OR {  949}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
 OR {  949}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  949}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  949}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  950}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.69821E-02 ppm1      1.972 ppm2      4.208 CV     1
 OR {  950}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  950}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI {  952}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.10146E-01 ppm1      1.861 ppm2      4.296 CV     1
 OR {  952}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  954}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.47082E-02 ppm1      1.961 ppm2      4.295 CV     1
 OR {  954}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
 OR {  954}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 OR {  954}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  960}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.27199E-02 ppm1      1.965 ppm2      3.993 CV     1
 OR {  960}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 44   and name HB  ))
 ASSI {  985}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.47720E-03 ppm1      2.135 ppm2      8.439 CV     1
 OR {  985}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
 OR {  985}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  988}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.59092E-03 ppm1      1.660 ppm2      8.507 CV     1
 OR {  988}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 OR {  988}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  997}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak   997 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      1.664 ppm2      8.288 CV     1
 OR {  997}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
 OR {  997}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1000}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.74172E-02 ppm1      1.803 ppm2      8.287 CV     1
 OR { 1000}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1000}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1000}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1008}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     2.300     3.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.33818E-02 ppm1      1.791 ppm2      7.647 CV     1
 OR { 1008}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1008}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
 OR { 1008}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 OR { 1008}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1010}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.35538E-02 ppm1      1.833 ppm2      8.414 CV     1
 OR { 1010}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1013}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     0.700     0.700 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.43488E-02 ppm1      1.904 ppm2      7.646 CV     1
 OR { 1013}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1015}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.25368E-02 ppm1      1.877 ppm2      8.416 CV     1
 OR { 1015}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1016}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.42213E-02 ppm1      1.879 ppm2      8.279 CV     1
 OR { 1016}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1018}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.45525E-02 ppm1      1.949 ppm2      8.178 CV     1
 OR { 1018}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
 OR { 1018}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1023}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.14886E-02 ppm1      1.947 ppm2      8.436 CV     1
 OR { 1023}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 OR { 1023}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1028}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.10486E-02 ppm1      2.040 ppm2      8.271 CV     1
 OR { 1028}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1064}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.92127E-03 ppm1      2.039 ppm2      9.167 CV     1
 OR { 1064}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1068}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.20911E-02 ppm1      1.867 ppm2      4.747 CV     1
 OR { 1068}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1072}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HD1 ))
      2.900     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.23453E-02 ppm1      1.934 ppm2      3.626 CV     1
 OR { 1072}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1077}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      2.300     2.300     3.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.19040E-02 ppm1      1.874 ppm2      9.055 CV     1
 OR { 1077}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 OR { 1077}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 1077}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 1079}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     2.800     3.200 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.56059E-02 ppm1      1.803 ppm2      8.861 CV     1
 OR { 1079}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 OR { 1079}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1085}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.14631E-02 ppm1      1.666 ppm2      4.776 CV     1
 OR { 1085}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 1095}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.100     2.100     1.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.85182E-03 ppm1      1.667 ppm2      8.796 CV     1
 OR { 1095}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1098}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 44   and name HB  ))
      2.900     2.900     3.100 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.47082E-03 ppm1      1.604 ppm2      3.995 CV     1
 OR { 1098}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 13   and name HA1 ))
 ASSI { 1106}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     2.400     3.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.37964E-02 ppm1      1.431 ppm2      4.091 CV     1
 OR { 1106}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1111}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.700     0.700 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.11288E-01 ppm1      1.463 ppm2      4.213 CV     1
 OR { 1111}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1133}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      4.400     2.500     1.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.49676E-03 ppm1      1.397 ppm2      7.479 CV     1
 OR { 1133}
   (  segid "    " and resid 22   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1140}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.82273E-03 ppm1      1.418 ppm2      8.272 CV     1
 OR { 1140}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1154}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 24   and name HG2%)
      3.100     1.200     1.200 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.22455E-02 ppm1      1.271 ppm2      0.692 CV     1
 OR { 1154}
   (( segid "    " and resid 44   and name HG1 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 1154}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 42   and name HG2%)
 OR { 1154}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1162}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.71459E-03 ppm1      1.058 ppm2      8.502 CV     1
 OR { 1162}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1167}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.700     1.700     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.64556E-03 ppm1      0.912 ppm2      8.279 CV     1
 OR { 1167}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1169}
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.55541E-03 ppm1      1.052 ppm2      7.824 CV     1
 OR { 1169}
   (( segid "    " and resid 64   and name HG11))
   (( segid "    " and resid 64   and name HN  ))
 OR { 1169}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1176}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      4.100     2.100     1.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.45245E-03 ppm1      1.052 ppm2      4.155 CV     1
 OR { 1176}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
 OR { 1176}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
 OR { 1176}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
 OR { 1176}
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1176}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
 OR { 1176}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
 OR { 1176}
   (( segid "    " and resid 64   and name HG11))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1179}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.61167E-03 ppm1      1.051 ppm2      3.614 CV     1
 OR { 1179}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 OR { 1179}
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1195}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      4.000     2.000     2.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.72777E-03 ppm1      0.810 ppm2      4.269 CV     1
 OR { 1195}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
 OR { 1195}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1202}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 64   and name HA  ))
      2.700     2.700     3.300 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.71977E-03 ppm1      0.921 ppm2      3.678 CV     1
 OR { 1202}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 64   and name HA  ))
 OR { 1202}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 32   and name HD1 ))
 ASSI { 1206}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 14   and name HD1 ))
      3.700     1.700     1.700 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.14711E-02 ppm1      0.872 ppm2      3.624 CV     1
 OR { 1206}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1210}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      4.000     2.000     2.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      0.694 ppm2      4.827 CV     1
 OR { 1210}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 1210}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1217}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      4.400     2.400     1.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.58135E-03 ppm1      0.692 ppm2      9.066 CV     1
 OR { 1217}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 1222}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.32450E-02 ppm1      0.811 ppm2      8.491 CV     1
 OR { 1222}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1224}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.800     2.800     3.200 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.41854E-02 ppm1      0.749 ppm2      3.536 CV     1
 OR { 1224}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1227}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.14762E-02 ppm1      0.744 ppm2      3.621 CV     1
 OR { 1227}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 32   and name HD1 ))
 ASSI { 1228}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 52   and name HD2 ))
      4.300     2.300     1.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.44445E-03 ppm1      0.694 ppm2      3.538 CV     1
 OR { 1228}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
 OR { 1228}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1233}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
      4.100     2.100     1.900 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.73853E-03 ppm1      0.811 ppm2      4.090 CV     1
 OR { 1233}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1235}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14292E-02 ppm1      0.802 ppm2      3.936 CV     1
 OR { 1235}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 15   and name HA2 ))
 ASSI { 1250}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.64956E-03 ppm1      0.730 ppm2      8.430 CV     1
 OR { 1250}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 OR { 1250}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1254}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.94321E-03 ppm1      0.691 ppm2      7.744 CV     1
 OR { 1254}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1330}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 41   and name HG1%)
      2.600     0.800     0.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.34544E-02 ppm1      2.208 ppm2      0.749 CV     1
 OR { 1330}
   (( segid "    " and resid 25   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1330}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1330}
   (( segid "    " and resid 25   and name HG1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1334}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 68   and name HG1%)
      2.500     2.500     3.500 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.15110E-02 ppm1      0.398 ppm2      1.054 CV     1
 OR { 1334}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 68   and name HG2%)
 OR { 1334}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 64   and name HG11))
 ASSI { 1349}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     2.400     3.600 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.26082E-02 ppm1      3.228 ppm2      3.525 CV     1
 OR { 1349}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1367}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 39   and name HD1%)
      2.900     1.100     1.100 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.28384E-02 ppm1      2.128 ppm2      0.940 CV     1
 OR { 1367}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
 OR { 1367}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 65   and name HG2%)
 ASSI { 1369}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 65   and name HD1%)
      2.600     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.54184E-02 ppm1      2.126 ppm2      0.815 CV     1
 OR { 1369}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
 OR { 1369}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI { 1375}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 27   and name HB% )
      2.200     0.600     0.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.63038E-02 ppm1      0.868 ppm2      1.166 CV     1
 OR { 1375}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG11))
 OR { 1375}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG12))
 ASSI { 1377}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 19   and name HB  ))
      2.800     1.000     1.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.27534E-02 ppm1      0.628 ppm2      1.869 CV     1
 OR { 1377}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1393}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.46682E-02 ppm1      3.670 ppm2      4.163 CV     1
 OR { 1393}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1394}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      2.600     2.600     3.400 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.55579E-02 ppm1      3.616 ppm2      4.163 CV     1
 OR { 1394}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1394}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1422}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
      2.200     2.200     3.800 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.12700E-01 ppm1      1.720 ppm2      1.046 CV     1
 OR { 1422}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1422}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1424}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 41   and name HB  ))
      2.500     0.800     0.800 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.33934E-02 ppm1      0.756 ppm2      2.200 CV     1
 OR { 1424}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 1426}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      2.400     0.700     0.700 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.54703E-02 ppm1      0.814 ppm2      2.202 CV     1
 OR { 1426}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 25   and name HG1 ))
 ASSI { 1433}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
      2.300     2.300     3.700 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.17061E-01 ppm1      1.932 ppm2      0.612 CV     1
 OR { 1433}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
 OR { 1433}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI { 1434}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 29   and name HB  ))
      1.600     1.600     4.400 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.18673E-01 ppm1      1.051 ppm2      1.715 CV     1
 OR { 1434}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 42   and name HB  ))
 OR { 1434}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
 OR { 1434}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
 OR { 1434}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
 OR { 1434}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 1435}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.300     0.700     0.700 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.18581E-01 ppm1      0.868 ppm2      1.446 CV     1
 OR { 1435}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 61   and name HB% )
 ASSI { 1438}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      2.200     2.200     3.800 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.10090E-01 ppm1      0.744 ppm2      1.805 CV     1
 OR { 1438}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HB  ))
 OR { 1438}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
 OR { 1438}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 26   and name HB1 ))
 OR { 1438}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1438}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1440}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 10   and name HB1 ))
      1.700     1.700     4.300 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.18421E-01 ppm1      0.921 ppm2      1.766 CV     1
 OR { 1440}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1440}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 1445}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 17   and name HG2 ))
      2.400     2.400     3.600 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.14228E-01 ppm1      0.805 ppm2      1.743 CV     1
 OR { 1445}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
 OR { 1445}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
 ASSI { 1447}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 39   and name HB  ))
      2.200     0.600     0.600 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.71220E-02 ppm1      0.749 ppm2      1.942 CV     1
 OR { 1447}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1464}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      1.400     0.200     0.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.47801E-01 ppm1      3.622 ppm2      3.781 CV     1
 OR { 1464}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 1488}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.500     2.500     1.500 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.39795E-03 ppm1      9.066 ppm2      4.781 CV     1
 OR { 1488}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1496}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.000     2.000     2.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.81831E-03 ppm1      9.066 ppm2      1.928 CV     1
 OR { 1496}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
 ASSI { 1523}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.10238E-02 ppm1      8.654 ppm2      8.273 CV     1
 OR { 1523}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1527}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      2.200     0.600     0.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.32314E-02 ppm1      8.654 ppm2      1.837 CV     1
 OR { 1527}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1529}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.700     1.700 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.63000E-03 ppm1      8.630 ppm2      1.939 CV     1
 OR { 1529}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1529}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1530}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.300     2.300     1.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.64157E-03 ppm1      8.654 ppm2      0.834 CV     1
 OR { 1530}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 1533}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      3.600     1.700     1.700 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.60287E-03 ppm1      8.542 ppm2      0.738 CV     1
 OR { 1533}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1535}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.600     1.600     1.600 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.88657E-03 ppm1      8.454 ppm2      0.807 CV     1
 OR { 1535}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
 OR { 1535}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
 ASSI { 1553}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.52189E-03 ppm1      7.960 ppm2      4.160 CV     1
 OR { 1553}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1555}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.600     1.600     1.600 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.48715E-03 ppm1      8.177 ppm2      4.137 CV     1
 OR { 1555}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1575}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      3.700     1.700     1.700 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.79598E-03 ppm1      8.221 ppm2      1.969 CV     1
 OR { 1575}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1583}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.900     1.100     1.100 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      8.026 ppm2      1.939 CV     1
 OR { 1583}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1583}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
 ASSI { 1584}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      4.000     2.000     2.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.42651E-03 ppm1      8.371 ppm2      1.939 CV     1
 OR { 1584}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1584}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1587}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      4.000     2.000     2.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.49276E-03 ppm1      8.294 ppm2      1.512 CV     1
 OR { 1587}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1616}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      5.100     3.200     0.900 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.25356E-03 ppm1      7.811 ppm2      1.045 CV     1
 OR { 1616}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1616}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HG11))
 ASSI { 1624}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.92684E-03 ppm1      7.651 ppm2      4.137 CV     1
 OR { 1624}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1624}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1638}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.39029E-03 ppm1      7.368 ppm2      0.726 CV     1
 OR { 1638}
   (( segid "    " and resid 52   and name HE  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1678}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      4.100     2.100     1.900 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.67108E-03 ppm1      5.578 ppm2      2.052 CV     1
 OR { 1678}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI { 1683}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.68307E-03 ppm1      5.410 ppm2      1.427 CV     1
 OR { 1683}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
 ASSI { 1685}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      3.600     1.600     1.600 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.68588E-03 ppm1      5.410 ppm2      0.746 CV     1
 OR { 1685}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 41   and name HG1%)
 ASSI { 1691}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      2.900     2.900     3.100 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.95197E-03 ppm1      4.275 ppm2      0.807 CV     1
 OR { 1691}
   (( segid "    " and resid 13   and name HA2 ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 1692}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.600     1.600     1.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.15764E-02 ppm1      4.246 ppm2      0.834 CV     1
 OR { 1692}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 1696}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.500     2.500     3.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.93245E-02 ppm1      4.757 ppm2      1.776 CV     1
 OR { 1696}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR { 1696}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 1704}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG12))
      4.200     2.200     1.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.59849E-03 ppm1      4.142 ppm2      1.045 CV     1
 OR { 1704}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1704}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 OR { 1704}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG11))
 ASSI { 1708}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.100     1.100 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.10593E-02 ppm1      4.783 ppm2      8.792 CV     1
 OR { 1708}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1722}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.800     2.900     1.200 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.23704E-03 ppm1      3.795 ppm2      8.450 CV     1
 OR { 1722}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1731}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.93403E-03 ppm1      4.214 ppm2      8.289 CV     1
 OR { 1731}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1736}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      2.900     1.100     1.100 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.17109E-02 ppm1      4.417 ppm2      3.625 CV     1
 OR { 1736}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 32   and name HD1 ))
 ASSI { 1737}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.200     1.300     1.300 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.45802E-02 ppm1      4.316 ppm2      1.796 CV     1
 OR { 1737}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
 OR { 1737}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1738}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 12   and name HB  ))
      2.100     2.100     3.900 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.45564E-02 ppm1      4.275 ppm2      1.871 CV     1
 OR { 1738}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
 OR { 1738}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1739}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
      2.700     2.700     3.300 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.18868E-02 ppm1      4.346 ppm2      1.939 CV     1
 OR { 1739}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
 OR { 1739}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1744}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.500     1.600     1.600 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.65513E-03 ppm1      4.172 ppm2      1.776 CV     1
 OR { 1744}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
 OR { 1744}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1752}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.27853E-02 ppm1      4.246 ppm2      1.458 CV     1
 OR { 1752}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
 OR { 1752}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 1755}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.83068E-03 ppm1      4.246 ppm2      8.657 CV     1
 OR { 1755}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1760}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.400     1.500     1.500 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.11838E-02 ppm1      4.018 ppm2      1.899 CV     1
 OR { 1760}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 1760}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 OR { 1760}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1775}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      3.800     1.800     1.800 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.66151E-03 ppm1      3.815 ppm2      0.862 CV     1
 OR { 1775}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 43   and name HG2%)
 ASSI { 1783}
   (( segid "    " and resid 14   and name HD1 ))
   (  segid "    " and resid 12   and name HG2%)
      2.600     2.600     3.400 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.12305E-02 ppm1      3.620 ppm2      0.910 CV     1
 OR { 1783}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
 OR { 1783}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 1784}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      4.000     2.000     2.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.58330E-03 ppm1      3.543 ppm2      0.726 CV     1
 OR { 1784}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
 OR { 1784}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 1785}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      4.300     2.300     1.700 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.54622E-03 ppm1      3.543 ppm2      0.688 CV     1
 OR { 1785}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 1786}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      3.900     1.900     1.900 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.76923E-03 ppm1      3.669 ppm2      0.881 CV     1
 OR { 1786}
   (( segid "    " and resid 32   and name HD1 ))
   (  segid "    " and resid 39   and name HD1%)
 ASSI { 1797}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 29   and name HB  ))
      2.300     2.300     3.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.39133E-02 ppm1      3.219 ppm2      1.714 CV     1
 OR { 1797}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
 OR { 1797}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 42   and name HB  ))
 ASSI { 1798}
   (( segid "    " and resid 70   and name HD1 ))
   (( segid "    " and resid 70   and name HB2 ))
      2.800     0.900     0.900 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.25607E-02 ppm1      3.219 ppm2      1.939 CV     1
 OR { 1798}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
 ASSI { 1804}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.49914E-03 ppm1      3.149 ppm2      4.707 CV     1
 OR { 1804}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1821}
   (( segid "    " and resid 52   and name HD1 ))
   (  segid "    " and resid 43   and name HD1%)
      4.200     2.200     1.800 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.32119E-03 ppm1      3.075 ppm2      0.738 CV     1
 OR { 1821}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1822}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.33766E-03 ppm1      3.075 ppm2      4.793 CV     1
 OR { 1822}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1838}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.900     2.900     3.100 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.12392E-02 ppm1      2.716 ppm2      3.872 CV     1
 OR { 1838}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1860}
   (( segid "    " and resid 40   and name HG1 ))
   (  segid "    " and resid 41   and name HG2%)
      3.600     1.600     1.600 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.13450E-02 ppm1      2.331 ppm2      0.800 CV     1
 OR { 1860}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 16   and name HG1%)
 ASSI { 1864}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 63   and name HA  ))
      3.600     1.600     1.600 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.12241E-02 ppm1      1.831 ppm2      4.160 CV     1
 OR { 1864}
   (( segid "    " and resid 65   and name HB  ))
   (( segid "    " and resid 66   and name HA  ))
 OR { 1864}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1866}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     2.100     3.900 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.71939E-02 ppm1      1.778 ppm2      4.329 CV     1
 OR { 1866}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 1866}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
 OR { 1866}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1869}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.15313E-02 ppm1      1.944 ppm2      4.210 CV     1
 OR { 1869}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 OR { 1869}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 1869}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1871}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     2.600     3.400 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.89414E-03 ppm1      1.612 ppm2      4.405 CV     1
 OR { 1871}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1879}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
      3.200     1.300     1.300 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.12101E-02 ppm1      1.878 ppm2      3.938 CV     1
 OR { 1879}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 1880}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.30331E-02 ppm1      1.904 ppm2      4.006 CV     1
 OR { 1880}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
 OR { 1880}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1890}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.100     1.200     1.200 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.18896E-02 ppm1      1.904 ppm2      7.834 CV     1
 OR { 1890}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1898}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.600     1.600 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.89175E-03 ppm1      1.904 ppm2      8.437 CV     1
 OR { 1898}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1917}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.55898E-03 ppm1      2.079 ppm2      8.289 CV     1
 OR { 1917}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1932}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 70   and name HD1 ))
      3.400     3.400     2.600 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      1.965 ppm2      3.199 CV     1
 OR { 1932}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1932}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 70   and name HD1 ))
 ASSI { 1940}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.800     1.800     1.800 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.72496E-03 ppm1      2.038 ppm2      4.793 CV     1
 OR { 1940}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1954}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     2.500     3.500 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.16494E-02 ppm1      1.453 ppm2      4.307 CV     1
 OR { 1954}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1954}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1956}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     2.900     3.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.96673E-03 ppm1      1.432 ppm2      4.307 CV     1
 OR { 1956}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 13   and name HA2 ))
 OR { 1956}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1976}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 52   and name HE  ))
      4.100     2.100     1.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.29956E-03 ppm1      1.060 ppm2      7.362 CV     1
 OR { 1976}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1977}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.61762E-03 ppm1      0.921 ppm2      8.414 CV     1
 OR { 1977}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1980}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.400     1.700 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.27877E-03 ppm1      1.060 ppm2      8.216 CV     1
 OR { 1980}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
 OR { 1980}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
 OR { 1980}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1993}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 14   and name HD1 ))
      3.500     1.500     1.500 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.11515E-02 ppm1      0.921 ppm2      3.614 CV     1
 OR { 1993}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1998}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.50709E-03 ppm1      0.732 ppm2      4.793 CV     1
 OR { 1998}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1999}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.13067E-02 ppm1      0.825 ppm2      4.734 CV     1
 OR { 1999}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 2001}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.61205E-03 ppm1      0.756 ppm2      4.764 CV     1
 OR { 2001}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 2002}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.59810E-03 ppm1      0.732 ppm2      4.764 CV     1
 OR { 2002}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 2006}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.400     1.400 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.66113E-03 ppm1      0.813 ppm2      9.167 CV     1
 OR { 2006}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2009}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.41016E-03 ppm1      0.732 ppm2      9.167 CV     1
 OR { 2009}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
 OR { 2009}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2012}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.800     1.800 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.40657E-03 ppm1      0.766 ppm2      3.625 CV     1
 OR { 2012}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2019}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.77242E-03 ppm1      0.714 ppm2      4.270 CV     1
 OR { 2019}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 2038}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     3.200     2.800 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      4.302 ppm2      3.614 CV     1
 OR { 2038}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 2041}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.31636E-02 ppm1      4.142 ppm2      3.639 CV     1
 OR { 2041}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
 OR { 2041}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 2047}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.66712E-03 ppm1      1.052 ppm2      1.957 CV     1
 OR { 2047}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2047}
   (( segid "    " and resid 64   and name HG11))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 2047}
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 2047}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2047}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2047}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
 OR { 2047}
   (( segid "    " and resid 64   and name HG11))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2047}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 67   and name HB1 ))
 OR { 2047}
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 2047}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2070}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.22878E-02 ppm1      7.651 ppm2      7.834 CV     1
 OR { 2070}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 2082}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      2.400     2.400     3.600 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.82869E-02 ppm1      0.744 ppm2      1.837 CV     1
 OR { 2082}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HB  ))
 OR { 2082}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 70   and name HB1 ))
 ASSI { 2086}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
      1.900     1.900     4.100 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.93445E-02 ppm1      0.921 ppm2      1.447 CV     1
 OR { 2086}
   (  segid "    " and resid 39   and name HD1%)
   (  segid "    " and resid 61   and name HB% )
 ASSI { 2089}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      2.500     2.500     3.500 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.19435E-01 ppm1      1.799 ppm2      0.746 CV     1
 OR { 2089}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2089}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
 OR { 2089}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
! a-helix 
assign (resid 61 and name O ) (resid 65 and name HN ) 2.2 0.5 0.2
assign (resid 61 and name O ) (resid 65 and name N  ) 3.3 0.8 2.2
assign (resid 62 and name O ) (resid 66 and name HN ) 2.2 0.5 0.2
assign (resid 62 and name O ) (resid 66 and name N  ) 3.3 0.8 0.2
assign (resid 63 and name O ) (resid 67 and name HN ) 2.2 0.5 0.2
assign (resid 63 and name O ) (resid 67 and name N  ) 3.3 0.8 2.2
assign (resid 64 and name O ) (resid 68 and name HN ) 2.2 0.5 0.2
assign (resid 64 and name O ) (resid 68 and name N  ) 3.3 0.8 0.2
assign (resid 65 and name O ) (resid 69 and name HN ) 2.2 0.5 0.2
assign (resid 65 and name O ) (resid 69 and name N  ) 3.3 0.8 2.2 

!strand 1-2
assign (resid 26 and name O ) (resid 44 and name HN ) 2.2 0.5 0.2
assign (resid 26 and name O ) (resid 44 and name N  ) 3.3 0.8 0.2
assign (resid 42 and name O ) (resid 28 and name HN ) 2.2 0.5 0.2 
assign (resid 42 and name O ) (resid 28 and name N  ) 3.3 0.8 0.2 
assign (resid 28 and name O ) (resid 42 and name HN ) 2.2 0.5 0.2 
assign (resid 28 and name O ) (resid 42 and name N  ) 3.3 0.8 0.2 
assign (resid 40 and name O ) (resid 30 and name HN ) 2.2 0.5 0.2
assign (resid 40 and name O ) (resid 30 and name N  ) 3.3 0.8 0.2
assign (resid 30 and name O ) (resid 40 and name HN ) 2.2 0.5 0.2
assign (resid 30 and name O ) (resid 40 and name N  ) 3.3 0.8 0.2

!strand 2-3
assign (resid 54 and name O ) (resid 41 and name HN ) 2.2 0.5 0.2
assign (resid 54 and name O ) (resid 41 and name N  ) 3.3 0.8 0.2
assign (resid 43 and name O ) (resid 52 and name HN ) 2.2 0.5 0.2
assign (resid 43 and name O ) (resid 52 and name N  ) 3.3 0.8 0.2
assign (resid 52 and name O ) (resid 43 and name HN ) 2.2 0.5 0.2
assign (resid 52 and name O ) (resid 43 and name N  ) 3.3 0.8 0.2
!Phi (top) and psi (bottom) angles 
! what the 4 numbers at the end of the assign statement mean:
! 1:  energy constant
! 2:  dihedral angle
! 3:  allowed range around dihedral angle
! 4:  exponent of the restraining function
! For 8 < J < 9: phi=-120 +/- 40
! For J > 9: phi=-120 +/- 30
! for b: phi=-120 +/- 30 psi=120 +/- 40
! for a: phi=-60 +/- 30 psi=-40 +/- 40

!!strand 1:  residues 25-31
assign (resid  25 and name N  ) (resid  25 and name CA )
       (resid  25 and name C  ) (resid  26 and name N  )  1.0   120  40 2
assign (resid  25 and name C  ) (resid  26 and name N  )
       (resid  26 and name CA ) (resid  26 and name C  )  1.0  -120  30 2
assign (resid  26 and name N  ) (resid  26 and name CA )
       (resid  26 and name C  ) (resid  27 and name N  )  1.0   120  40 2
assign (resid  26 and name C  ) (resid  27 and name N  )
       (resid  27 and name CA ) (resid  27 and name C  )  1.0  -120  30 2
assign (resid  27 and name N  ) (resid  27 and name CA )
       (resid  27 and name C  ) (resid  28 and name N  )  1.0   120  40 2
assign (resid  27 and name C  ) (resid  28 and name N  )
       (resid  28 and name CA ) (resid  28 and name C  )  1.0  -120  30 2
assign (resid  28 and name N  ) (resid  28 and name CA )
       (resid  28 and name C  ) (resid  29 and name N  )  1.0   120  40 2
assign (resid  28 and name C  ) (resid  29 and name N  )
       (resid  29 and name CA ) (resid  29 and name C  )  1.0  -120  30 2
assign (resid  29 and name N  ) (resid  29 and name CA )
       (resid  29 and name C  ) (resid  30 and name N  )  1.0   120  40 2
assign (resid  29 and name C  ) (resid  30 and name N  )
       (resid  30 and name CA ) (resid  30 and name C  )  1.0  -120  30 2
assign (resid  30 and name N  ) (resid  30 and name CA )
       (resid  30 and name C  ) (resid  31 and name N  )  1.0   120  40 2
assign (resid  30 and name C  ) (resid  31 and name N  )
       (resid  31 and name CA ) (resid  31 and name C  )  1.0  -120  30 2
assign (resid  31 and name N  ) (resid  31 and name CA )
       (resid  31 and name C  ) (resid  32 and name N  )  1.0   120  40 2
!
!!strand 2:  residues 39-46
assign (resid  37 and name C  ) (resid  38 and name N  )
       (resid  38 and name CA ) (resid  38 and name C  )  1.0  -120  30 2
assign (resid  38 and name N  ) (resid  38 and name CA )
       (resid  38 and name C  ) (resid  39 and name N  )  1.0   120  40 2
assign (resid  38 and name C  ) (resid  39 and name N  )
       (resid  39 and name CA ) (resid  39 and name C  )  1.0  -120  30 2
assign (resid  39 and name N  ) (resid  39 and name CA )
       (resid  39 and name C  ) (resid  40 and name N  )  1.0   120  40 2
assign (resid  39 and name C  ) (resid  40 and name N  )
       (resid  40 and name CA ) (resid  40 and name C  )  1.0  -120  30 2
assign (resid  40 and name N  ) (resid  40 and name CA )
       (resid  40 and name C  ) (resid  41 and name N  )  1.0   120  40 2
assign (resid  40 and name C  ) (resid  41 and name N  )
       (resid  41 and name CA ) (resid  41 and name C  )  1.0  -120  30 2
assign (resid  41 and name N  ) (resid  41 and name CA )
       (resid  41 and name C  ) (resid  42 and name N  )  1.0   120  40 2
assign (resid  41 and name C  ) (resid  42 and name N  )
       (resid  42 and name CA ) (resid  42 and name C  )  1.0  -120  30 2
assign (resid  42 and name N  ) (resid  42 and name CA )
       (resid  42 and name C  ) (resid  43 and name N  )  1.0   120  40 2
assign (resid  42 and name C  ) (resid  43 and name N  )
       (resid  43 and name CA ) (resid  43 and name C  )  1.0  -120  30 2
assign (resid  43 and name N  ) (resid  43 and name CA )
       (resid  43 and name C  ) (resid  44 and name N  )  1.0   120  40 2
assign (resid  43 and name C  ) (resid  44 and name N  )
       (resid  44 and name CA ) (resid  44 and name C  )  1.0  -120  30 2
assign (resid  44 and name N  ) (resid  44 and name CA )
       (resid  44 and name C  ) (resid  45 and name N  )  1.0   120  40 2
assign (resid  44 and name C  ) (resid  45 and name N  )
       (resid  45 and name CA ) (resid  45 and name C  )  1.0  -120  30 2
assign (resid  45 and name N  ) (resid  45 and name CA )
       (resid  45 and name C  ) (resid  46 and name N  )  1.0   120  40 2
assign (resid  45 and name C  ) (resid  46 and name N  )
       (resid  46 and name CA ) (resid  46 and name C  )  1.0  -120  30 2

!!strand 3:  residues 51-54
assign (resid  50 and name C  ) (resid  51 and name N  )
       (resid  51 and name CA ) (resid  51 and name C  )  1.0  -120  30 2
assign (resid  51 and name N  ) (resid  51 and name CA )
       (resid  51 and name C  ) (resid  52 and name N  )  1.0   120  40 2
assign (resid  51 and name C  ) (resid  52 and name N  )
       (resid  52 and name CA ) (resid  52 and name C  )  1.0  -120  30 2
assign (resid  52 and name N  ) (resid  52 and name CA )
       (resid  52 and name C  ) (resid  53 and name N  )  1.0   120  40 2
assign (resid  52 and name C  ) (resid  53 and name N  )
       (resid  53 and name CA ) (resid  53 and name C  )  1.0  -120  30 2
assign (resid  53 and name N  ) (resid  53 and name CA )
       (resid  53 and name C  ) (resid  54 and name N  )  1.0   120  40 2
assign (resid  53 and name C  ) (resid  54 and name N  )
       (resid  54 and name CA ) (resid  54 and name C  )  1.0  -120  30 2
!
!Phi (top) and psi (bottom) angles for a-helix
!helix 61-70
assign (resid  60 and name C  ) (resid  61 and name N  )
       (resid  61 and name CA ) (resid  61 and name C  )  1.0  -60  30 2
assign (resid  61 and name N  ) (resid  61 and name CA )
       (resid  61 and name C  ) (resid  62 and name N  )  1.0  -40  40 2
assign (resid  61 and name C  ) (resid  62 and name N  )
       (resid  62 and name CA ) (resid  62 and name C  )  1.0  -60  30 2
assign (resid  62 and name N  ) (resid  62 and name CA )
       (resid  62 and name C  ) (resid  63 and name N  )  1.0  -40  40 2
assign (resid  62 and name C  ) (resid  63 and name N  )
       (resid  63 and name CA ) (resid  63 and name C  )  1.0  -60  30 2
assign (resid  63 and name N  ) (resid  63 and name CA )
       (resid  63 and name C  ) (resid  64 and name N  )  1.0  -40  40 2
assign (resid  63 and name C  ) (resid  64 and name N  )
       (resid  64 and name CA ) (resid  64 and name C  )  1.0  -60  30 2
assign (resid  64 and name N  ) (resid  64 and name CA )
       (resid  64 and name C  ) (resid  65 and name N  )  1.0  -40  40 2
assign (resid  64 and name C  ) (resid  65 and name N  )
       (resid  65 and name CA ) (resid  65 and name C  )  1.0  -60  30 2
assign (resid  65 and name N  ) (resid  65 and name CA )
       (resid  65 and name C  ) (resid  66 and name N  )  1.0  -40  40 2
assign (resid  65 and name C  ) (resid  66 and name N  )
       (resid  66 and name CA ) (resid  66 and name C  )  1.0  -60  30 2
assign (resid  66 and name N  ) (resid  66 and name CA )
       (resid  66 and name C  ) (resid  67 and name N  )  1.0  -40  40 2
assign (resid  66 and name C  ) (resid  67 and name N  )
       (resid  67 and name CA ) (resid  67 and name C  )  1.0  -60  30 2
assign (resid  67 and name N  ) (resid  67 and name CA )
       (resid  67 and name C  ) (resid  68 and name N  )  1.0  -40  40 2
assign (resid  67 and name C  ) (resid  68 and name N  )
       (resid  68 and name CA ) (resid  68 and name C  )  1.0  -60  30 2
assign (resid  68 and name N  ) (resid  68 and name CA )
       (resid  68 and name C  ) (resid  69 and name N  )  1.0  -40  40 2
assign (resid  68 and name C  ) (resid  69 and name N  )
       (resid  69 and name CA ) (resid  69 and name C  )  1.0  -60  30 2
assign (resid  69 and name N  ) (resid  69 and name CA )
       (resid  69 and name C  ) (resid  70 and name N  )  1.0  -40  40 2
assign (resid  69 and name C  ) (resid  70 and name N  )
       (resid  70 and name CA ) (resid  70 and name C  )  1.0  -60  30


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1HT       PHE   1  27.463  -5.654  -4.708
    2   2H    PHE   1          2HT       PHE   1  25.773  -5.696  -4.613
    3   3H    PHE   1          3HT       PHE   1  26.618  -7.042  -5.190
    4    HA   PHE   1           HA       PHE   1  27.638  -7.375  -3.045
    5   1HB   PHE   1          2HB       PHE   1  25.993  -4.941  -2.346
    6   2HB   PHE   1          1HB       PHE   1  26.533  -6.077  -1.117
    7    HD1  PHE   1           1HD      PHE   1  28.861  -6.229  -0.502
    8    HD2  PHE   1           2HD      PHE   1  27.562  -3.490  -3.483
    9    HE1  PHE   1           1HE      PHE   1  31.004  -5.039  -0.332
   10    HE2  PHE   1           2HE      PHE   1  29.709  -2.299  -3.322
   11    HZ   PHE   1           HZ       PHE   1  31.433  -3.069  -1.744
   12    HA   PRO   2           HA       PRO   2  23.988  -9.833  -2.477
   13   1HB   PRO   2          2HB       PRO   2  25.097 -11.404  -0.448
   14   2HB   PRO   2          1HB       PRO   2  25.230 -11.699  -2.181
   15   1HG   PRO   2          2HG       PRO   2  27.314 -10.995  -0.399
   16   2HG   PRO   2          1HG       PRO   2  27.408 -11.116  -2.163
   17   1HD   PRO   2          2HD       PRO   2  27.114  -8.720  -0.442
   18   2HD   PRO   2          1HD       PRO   2  27.847  -8.875  -2.052
   19    H    MET   3           H        MET   3  22.791  -8.000  -1.521
   20    HA   MET   3           HA       MET   3  22.683  -7.844   1.359
   21   1HB   MET   3          2HB       MET   3  20.946  -6.625  -0.794
   22   2HB   MET   3          1HB       MET   3  20.652  -6.396   0.922
   23   1HG   MET   3          2HG       MET   3  21.794  -4.484   0.228
   24   2HG   MET   3          1HG       MET   3  22.999  -5.463   1.061
   25   1HE   MET   3          1HE       MET   3  21.728  -4.080  -2.375
   26   2HE   MET   3          2HE       MET   3  21.490  -5.817  -2.568
   27   3HE   MET   3          3HE       MET   3  22.720  -4.986  -3.521
   28    H    PHE   4           H        PHE   4  20.366  -8.743  -1.167
   29    HA   PHE   4           HA       PHE   4  18.742 -10.293  -1.304
   30   1HB   PHE   4          2HB       PHE   4  20.513 -11.892  -0.924
   31   2HB   PHE   4          1HB       PHE   4  20.406 -11.660   0.817
   32    HD1  PHE   4           1HD      PHE   4  18.316 -12.705  -2.088
   33    HD2  PHE   4           2HD      PHE   4  19.154 -13.129   2.063
   34    HE1  PHE   4           1HE      PHE   4  16.682 -14.538  -1.945
   35    HE2  PHE   4           2HE      PHE   4  17.522 -14.960   2.210
   36    HZ   PHE   4           HZ       PHE   4  16.282 -15.668   0.206
   37    H    LYS   5           H        LYS   5  16.946  -9.195  -0.665
   38    HA   LYS   5           HA       LYS   5  16.170  -8.927   2.068
   39   1HB   LYS   5          2HB       LYS   5  14.410  -8.939  -0.400
   40   2HB   LYS   5          1HB       LYS   5  13.962  -8.344   1.191
   41   1HG   LYS   5          2HG       LYS   5  15.690  -6.591   0.992
   42   2HG   LYS   5          1HG       LYS   5  16.048  -7.166  -0.638
   43   1HD   LYS   5          2HD       LYS   5  13.678  -6.738  -1.250
   44   2HD   LYS   5          1HD       LYS   5  13.428  -6.046   0.352
   45   1HE   LYS   5          2HE       LYS   5  15.357  -5.036  -1.738
   46   2HE   LYS   5          1HE       LYS   5  13.807  -4.310  -1.325
   47   1HZ   LYS   5          1HZ       LYS   5  15.438  -3.077  -0.196
   48   2HZ   LYS   5          2HZ       LYS   5  16.249  -4.462   0.345
   49   3HZ   LYS   5          3HZ       LYS   5  14.733  -4.062   0.994
   50    H    ARG   6           H        ARG   6  15.729 -10.629   3.344
   51    HA   ARG   6           HA       ARG   6  15.483 -13.244   2.261
   52   1HB   ARG   6          2HB       ARG   6  14.843 -12.369   5.079
   53   2HB   ARG   6          1HB       ARG   6  15.222 -14.000   4.545
   54   1HG   ARG   6          2HG       ARG   6  17.486 -13.155   3.881
   55   2HG   ARG   6          1HG       ARG   6  17.072 -11.632   4.672
   56   1HD   ARG   6          2HD       ARG   6  17.387 -14.356   5.904
   57   2HD   ARG   6          1HD       ARG   6  18.277 -12.881   6.271
   58    HE   ARG   6           HE       ARG   6  15.400 -13.062   6.853
   59   1HH1  ARG   6          1HH1      ARG   6  18.704 -12.628   7.957
   60   2HH1  ARG   6          2HH1      ARG   6  18.221 -12.186   9.570
   61   1HH2  ARG   6          1HH2      ARG   6  14.792 -12.513   8.980
   62   2HH2  ARG   6          2HH2      ARG   6  16.024 -12.129  10.147
   63    H    GLY   7           H        GLY   7  13.166 -10.881   3.388
   64   1HA   GLY   7          2HA       GLY   7  10.957 -12.744   3.343
   65   2HA   GLY   7          1HA       GLY   7  10.856 -11.006   3.603
   66    H    ARG   8           H        ARG   8  10.004 -13.406   1.529
   67    HA   ARG   8           HA       ARG   8  10.414 -11.990  -0.954
   68   1HB   ARG   8          2HB       ARG   8  10.054 -14.609  -0.408
   69   2HB   ARG   8          1HB       ARG   8   8.401 -14.169  -0.812
   70   1HG   ARG   8          2HG       ARG   8  10.261 -13.105  -2.744
   71   2HG   ARG   8          1HG       ARG   8  10.445 -14.849  -2.573
   72   1HD   ARG   8          2HD       ARG   8   8.852 -14.453  -4.301
   73   2HD   ARG   8          1HD       ARG   8   7.974 -15.057  -2.896
   74    HE   ARG   8           HE       ARG   8   7.813 -12.355  -2.633
   75   1HH1  ARG   8          1HH1      ARG   8   7.024 -14.602  -5.205
   76   2HH1  ARG   8          2HH1      ARG   8   5.804 -13.573  -5.899
   77   1HH2  ARG   8          1HH2      ARG   8   6.191 -11.026  -3.520
   78   2HH2  ARG   8          2HH2      ARG   8   5.306 -11.554  -4.919
   79    H    CYS   9           H        CYS   9   8.085 -12.125   1.557
   80    HA   CYS   9           HA       CYS   9   6.317 -10.371  -0.007
   81   1HB   CYS   9          2HB       CYS   9   5.682 -11.893   2.551
   82   2HB   CYS   9          1HB       CYS   9   4.558 -10.898   1.616
   83    H    LEU  10           H        LEU  10   8.367  -9.060   0.494
   84    HA   LEU  10           HA       LEU  10   7.897  -7.493   2.944
   85   1HB   LEU  10          2HB       LEU  10  10.050  -8.761   2.937
   86   2HB   LEU  10          1HB       LEU  10  10.513  -7.899   1.482
   87    HG   LEU  10           HG       LEU  10  10.416  -5.767   2.765
   88   1HD1  LEU  10          1HD1      LEU  10   8.863  -6.433   4.507
   89   2HD1  LEU  10          2HD1      LEU  10  10.382  -5.887   5.218
   90   3HD1  LEU  10          3HD1      LEU  10  10.024  -7.613   5.117
   91   1HD2  LEU  10          1HD2      LEU  10  12.256  -7.892   3.857
   92   2HD2  LEU  10          2HD2      LEU  10  12.494  -6.150   4.001
   93   3HD2  LEU  10          3HD2      LEU  10  12.530  -6.916   2.414
   94    H    CYS  11           H        CYS  11   8.168  -5.207   2.719
   95    HA   CYS  11           HA       CYS  11   8.381  -4.106   0.061
   96   1HB   CYS  11          2HB       CYS  11   5.815  -3.932   1.655
   97   2HB   CYS  11          1HB       CYS  11   6.182  -2.919   0.265
   98    H    ILE  12           H        ILE  12   8.648  -1.842   0.095
   99    HA   ILE  12           HA       ILE  12   9.109  -0.733   2.785
  100    HB   ILE  12           HB       ILE  12  11.230  -1.345   1.730
  101   1HG1  ILE  12          2HG1      ILE  12  12.352   0.882   1.858
  102   2HG1  ILE  12          1HG1      ILE  12  10.766   1.644   1.899
  103   1HG2  ILE  12          1HG2      ILE  12  10.349   0.516  -0.470
  104   2HG2  ILE  12          2HG2      ILE  12  10.659  -1.217  -0.589
  105   3HG2  ILE  12          3HG2      ILE  12  11.992  -0.100  -0.287
  106   1HD1  ILE  12          1HD1      ILE  12  11.773   1.458   4.120
  107   2HD1  ILE  12          2HD1      ILE  12  11.817  -0.296   3.947
  108   3HD1  ILE  12          3HD1      ILE  12  10.269   0.546   3.999
  109    H    GLY  13           H        GLY  13   7.940  -0.367  -0.404
  110   1HA   GLY  13          2HA       GLY  13   5.934   1.088  -0.473
  111   2HA   GLY  13          1HA       GLY  13   6.928   2.318   0.250
  112    HA   PRO  14           HA       PRO  14   8.119   1.833  -4.374
  113   1HB   PRO  14          2HB       PRO  14   6.363   0.310  -5.817
  114   2HB   PRO  14          1HB       PRO  14   7.787  -0.350  -5.003
  115   1HG   PRO  14          2HG       PRO  14   4.947  -0.611  -4.317
  116   2HG   PRO  14          1HG       PRO  14   6.321  -1.610  -3.820
  117   1HD   PRO  14          2HD       PRO  14   4.996   0.450  -2.319
  118   2HD   PRO  14          1HD       PRO  14   6.369  -0.545  -1.828
  119    H    GLY  15           H        GLY  15   6.283   3.597  -3.037
  120   1HA   GLY  15          2HA       GLY  15   4.711   4.578  -5.307
  121   2HA   GLY  15          1HA       GLY  15   3.865   4.214  -3.809
  122    H    VAL  16           H        VAL  16   3.221   6.295  -3.293
  123    HA   VAL  16           HA       VAL  16   5.415   8.217  -2.828
  124    HB   VAL  16           HB       VAL  16   2.651   9.134  -3.600
  125   1HG1  VAL  16          1HG1      VAL  16   4.250  10.748  -2.603
  126   2HG1  VAL  16          2HG1      VAL  16   3.800  11.160  -4.258
  127   3HG1  VAL  16          3HG1      VAL  16   5.365  10.417  -3.930
  128   1HG2  VAL  16          1HG2      VAL  16   3.431   9.355  -5.921
  129   2HG2  VAL  16          2HG2      VAL  16   3.347   7.671  -5.399
  130   3HG2  VAL  16          3HG2      VAL  16   4.907   8.489  -5.492
  131    H    LYS  17           H        LYS  17   2.593   9.729  -1.995
  132    HA   LYS  17           HA       LYS  17   1.892   8.643   0.485
  133   1HB   LYS  17          2HB       LYS  17   4.286   9.319   0.981
  134   2HB   LYS  17          1HB       LYS  17   3.794  10.986   0.709
  135   1HG   LYS  17          2HG       LYS  17   1.985  10.455   2.506
  136   2HG   LYS  17          1HG       LYS  17   3.076   9.137   2.936
  137   1HD   LYS  17          2HD       LYS  17   3.689  10.949   4.320
  138   2HD   LYS  17          1HD       LYS  17   4.914  10.881   3.052
  139   1HE   LYS  17          2HE       LYS  17   3.757  12.658   1.834
  140   2HE   LYS  17          1HE       LYS  17   2.525  12.726   3.093
  141   1HZ   LYS  17          1HZ       LYS  17   3.994  14.454   3.586
  142   2HZ   LYS  17          2HZ       LYS  17   5.368  13.520   3.257
  143   3HZ   LYS  17          3HZ       LYS  17   4.458  13.215   4.653
  144    H    ALA  18           H        ALA  18  -0.155   9.327   0.296
  145    HA   ALA  18           HA       ALA  18  -1.938  10.710   0.462
  146   1HB   ALA  18          1HB       ALA  18  -0.536  11.983   2.083
  147   2HB   ALA  18          2HB       ALA  18  -1.724  12.962   1.223
  148   3HB   ALA  18          3HB       ALA  18  -0.026  13.020   0.750
  149    H    VAL  19           H        VAL  19  -2.789  10.469  -1.479
  150    HA   VAL  19           HA       VAL  19  -2.074  12.398  -3.587
  151    HB   VAL  19           HB       VAL  19  -2.574  10.518  -5.224
  152   1HG1  VAL  19          1HG1      VAL  19  -0.176  10.195  -3.426
  153   2HG1  VAL  19          2HG1      VAL  19  -0.301  11.318  -4.779
  154   3HG1  VAL  19          3HG1      VAL  19  -0.330   9.580  -5.069
  155   1HG2  VAL  19          1HG2      VAL  19  -3.681   9.023  -3.632
  156   2HG2  VAL  19          2HG2      VAL  19  -2.165   8.844  -2.749
  157   3HG2  VAL  19          3HG2      VAL  19  -2.299   8.239  -4.400
  158    H    LYS  20           H        LYS  20  -4.005  11.342  -5.447
  159    HA   LYS  20           HA       LYS  20  -6.435  12.453  -4.457
  160   1HB   LYS  20          2HB       LYS  20  -5.891  12.428  -6.858
  161   2HB   LYS  20          1HB       LYS  20  -5.920  10.670  -6.844
  162   1HG   LYS  20          2HG       LYS  20  -7.952  11.415  -7.800
  163   2HG   LYS  20          1HG       LYS  20  -8.321  10.781  -6.197
  164   1HD   LYS  20          2HD       LYS  20  -8.390  13.065  -5.316
  165   2HD   LYS  20          1HD       LYS  20  -8.018  13.694  -6.924
  166   1HE   LYS  20          2HE       LYS  20 -10.458  12.100  -6.145
  167   2HE   LYS  20          1HE       LYS  20 -10.407  13.829  -6.489
  168   1HZ   LYS  20          1HZ       LYS  20  -9.833  13.373  -8.757
  169   2HZ   LYS  20          2HZ       LYS  20 -11.216  12.476  -8.371
  170   3HZ   LYS  20          3HZ       LYS  20  -9.709  11.706  -8.454
  171    H    VAL  21           H        VAL  21  -7.104  11.412  -2.634
  172    HA   VAL  21           HA       VAL  21  -6.842   8.605  -2.273
  173    HB   VAL  21           HB       VAL  21  -8.193   9.054  -0.149
  174   1HG1  VAL  21          1HG1      VAL  21  -5.772   8.896  -0.173
  175   2HG1  VAL  21          2HG1      VAL  21  -6.293  10.166   0.935
  176   3HG1  VAL  21          3HG1      VAL  21  -5.649  10.590  -0.652
  177   1HG2  VAL  21          1HG2      VAL  21  -7.787  11.911  -1.045
  178   2HG2  VAL  21          2HG2      VAL  21  -8.376  11.397   0.536
  179   3HG2  VAL  21          3HG2      VAL  21  -9.336  11.081  -0.910
  180    H    ALA  22           H        ALA  22  -8.067   8.325  -4.321
  181    HA   ALA  22           HA       ALA  22 -10.488   6.994  -3.909
  182   1HB   ALA  22          1HB       ALA  22 -10.830   9.702  -5.214
  183   2HB   ALA  22          2HB       ALA  22 -11.476   9.221  -3.646
  184   3HB   ALA  22          3HB       ALA  22 -12.062   8.446  -5.117
  185    H    ASP  23           H        ASP  23  -8.261   8.646  -5.955
  186    HA   ASP  23           HA       ASP  23  -8.782   6.897  -8.234
  187   1HB   ASP  23          2HB       ASP  23  -7.333   9.442  -7.746
  188   2HB   ASP  23          1HB       ASP  23  -6.698   8.412  -9.017
  189    H    ILE  24           H        ILE  24  -6.135   7.912  -6.147
  190    HA   ILE  24           HA       ILE  24  -4.926   5.249  -6.324
  191    HB   ILE  24           HB       ILE  24  -2.699   6.579  -5.946
  192   1HG1  ILE  24          2HG1      ILE  24  -4.151   8.785  -5.923
  193   2HG1  ILE  24          1HG1      ILE  24  -2.552   8.780  -6.651
  194   1HG2  ILE  24          1HG2      ILE  24  -3.108   5.155  -7.848
  195   2HG2  ILE  24          2HG2      ILE  24  -2.306   6.634  -8.374
  196   3HG2  ILE  24          3HG2      ILE  24  -4.035   6.425  -8.647
  197   1HD1  ILE  24          1HD1      ILE  24  -4.143   9.999  -8.015
  198   2HD1  ILE  24          2HD1      ILE  24  -5.167   8.568  -8.128
  199   3HD1  ILE  24          3HD1      ILE  24  -3.564   8.565  -8.864
  200    H    GLU  25           H        GLU  25  -3.491   4.897  -4.513
  201    HA   GLU  25           HA       GLU  25  -3.228   4.594  -2.304
  202   1HB   GLU  25          2HB       GLU  25  -2.930   7.110  -2.381
  203   2HB   GLU  25          1HB       GLU  25  -4.626   7.240  -1.914
  204   1HG   GLU  25          2HG       GLU  25  -4.225   6.247   0.200
  205   2HG   GLU  25          1HG       GLU  25  -2.613   5.713  -0.277
  206    H    LYS  26           H        LYS  26  -4.647   3.006  -2.937
  207    HA   LYS  26           HA       LYS  26  -7.104   2.880  -1.427
  208   1HB   LYS  26          2HB       LYS  26  -6.980   2.700  -4.436
  209   2HB   LYS  26          1HB       LYS  26  -8.214   1.841  -3.529
  210   1HG   LYS  26          2HG       LYS  26  -9.126   3.881  -2.700
  211   2HG   LYS  26          1HG       LYS  26  -7.781   4.811  -3.364
  212   1HD   LYS  26          2HD       LYS  26  -9.810   4.985  -4.744
  213   2HD   LYS  26          1HD       LYS  26  -8.465   4.256  -5.620
  214   1HE   LYS  26          2HE       LYS  26 -10.464   3.027  -6.125
  215   2HE   LYS  26          1HE       LYS  26  -9.424   2.019  -5.120
  216   1HZ   LYS  26          1HZ       LYS  26 -11.811   3.545  -4.216
  217   2HZ   LYS  26          2HZ       LYS  26 -10.786   2.662  -3.199
  218   3HZ   LYS  26          3HZ       LYS  26 -11.693   1.862  -4.381
  219    H    ALA  27           H        ALA  27  -6.067   1.290  -0.224
  220    HA   ALA  27           HA       ALA  27  -4.975  -1.008  -1.609
  221   1HB   ALA  27          1HB       ALA  27  -3.974  -1.603   0.321
  222   2HB   ALA  27          2HB       ALA  27  -5.259  -0.956   1.344
  223   3HB   ALA  27          3HB       ALA  27  -4.099   0.135   0.581
  224    H    SER  28           H        SER  28  -6.261  -2.515  -2.280
  225    HA   SER  28           HA       SER  28  -8.518  -3.344  -0.575
  226   1HB   SER  28          2HB       SER  28  -8.311  -3.166  -3.569
  227   2HB   SER  28          1HB       SER  28  -9.681  -3.878  -2.709
  228    HG   SER  28           HG       SER  28  -9.543  -1.637  -1.589
  229    H    ILE  29           H        ILE  29  -6.483  -4.785   0.035
  230    HA   ILE  29           HA       ILE  29  -7.403  -7.315  -0.843
  231    HB   ILE  29           HB       ILE  29  -5.724  -6.818  -2.621
  232   1HG1  ILE  29          2HG1      ILE  29  -4.534  -8.970  -2.466
  233   2HG1  ILE  29          1HG1      ILE  29  -4.985  -9.095  -0.769
  234   1HG2  ILE  29          1HG2      ILE  29  -3.344  -6.887  -2.042
  235   2HG2  ILE  29          2HG2      ILE  29  -3.776  -6.883  -0.331
  236   3HG2  ILE  29          3HG2      ILE  29  -4.169  -5.492  -1.346
  237   1HD1  ILE  29          1HD1      ILE  29  -6.872  -9.088  -3.112
  238   2HD1  ILE  29          2HD1      ILE  29  -7.344  -9.182  -1.415
  239   3HD1  ILE  29          3HD1      ILE  29  -6.405 -10.486  -2.143
  240    H    MET  30           H        MET  30  -6.620  -9.007   0.589
  241    HA   MET  30           HA       MET  30  -4.745  -8.163   2.652
  242   1HB   MET  30          2HB       MET  30  -7.116  -7.848   3.503
  243   2HB   MET  30          1HB       MET  30  -7.320  -9.588   3.355
  244   1HG   MET  30          2HG       MET  30  -5.675 -10.004   5.014
  245   2HG   MET  30          1HG       MET  30  -5.176  -8.313   5.031
  246   1HE   MET  30          1HE       MET  30  -8.376  -6.587   6.540
  247   2HE   MET  30          2HE       MET  30  -8.068  -6.894   4.830
  248   3HE   MET  30          3HE       MET  30  -6.763  -6.328   5.874
  249    H    TYR  31           H        TYR  31  -3.275  -9.486   1.482
  250    HA   TYR  31           HA       TYR  31  -3.888 -12.357   1.533
  251   1HB   TYR  31          2HB       TYR  31  -4.630 -11.065  -0.652
  252   2HB   TYR  31          1HB       TYR  31  -2.924 -11.195  -1.042
  253    HD1  TYR  31           1HD      TYR  31  -2.023 -13.198  -1.887
  254    HD2  TYR  31           2HD      TYR  31  -5.960 -13.161  -0.275
  255    HE1  TYR  31           1HE      TYR  31  -2.405 -15.456  -2.781
  256    HE2  TYR  31           2HE      TYR  31  -6.353 -15.421  -1.162
  257    HH   TYR  31           HH       TYR  31  -3.870 -17.409  -2.271
  258    HA   PRO  32           HA       PRO  32   0.422 -12.981   2.445
  259   1HB   PRO  32          2HB       PRO  32   0.089 -15.320   0.663
  260   2HB   PRO  32          1HB       PRO  32   0.637 -15.245   2.338
  261   1HG   PRO  32          2HG       PRO  32  -1.803 -16.142   1.639
  262   2HG   PRO  32          1HG       PRO  32  -1.489 -15.310   3.171
  263   1HD   PRO  32          2HD       PRO  32  -2.896 -14.331   0.757
  264   2HD   PRO  32          1HD       PRO  32  -3.065 -13.845   2.446
  265    H    SER  33           H        SER  33  -0.307 -11.498  -0.203
  266    HA   SER  33           HA       SER  33   0.593 -10.990  -2.238
  267   1HB   SER  33          2HB       SER  33   2.479 -10.334  -0.759
  268   2HB   SER  33          1HB       SER  33   3.147 -11.959  -0.911
  269    HG   SER  33           HG       SER  33   3.008 -11.416  -3.307
  270    H    ASN  34           H        ASN  34  -0.163 -13.856  -1.474
  271    HA   ASN  34           HA       ASN  34  -0.252 -15.932  -2.321
  272   1HB   ASN  34          2HB       ASN  34  -1.030 -14.538  -4.302
  273   2HB   ASN  34          1HB       ASN  34   0.592 -14.715  -4.957
  274   1HD2  ASN  34          1HD2      ASN  34   1.199 -16.641  -5.860
  275   2HD2  ASN  34          2HD2      ASN  34   0.119 -17.976  -6.088
  276    H    ASN  35           H        ASN  35   2.048 -15.529  -0.945
  277    HA   ASN  35           HA       ASN  35   3.575 -17.694  -2.060
  278   1HB   ASN  35          2HB       ASN  35   4.584 -15.817  -3.292
  279   2HB   ASN  35          1HB       ASN  35   4.886 -14.971  -1.781
  280   1HD2  ASN  35          1HD2      ASN  35   6.651 -15.495  -0.573
  281   2HD2  ASN  35          2HD2      ASN  35   7.860 -16.630  -1.081
  282    H    CYS  36           H        CYS  36   2.072 -16.539   0.411
  283    HA   CYS  36           HA       CYS  36   4.172 -17.016   2.377
  284   1HB   CYS  36          2HB       CYS  36   2.898 -14.386   1.790
  285   2HB   CYS  36          1HB       CYS  36   3.492 -14.739   3.423
  286    H    ASP  37           H        ASP  37   3.183 -16.151   4.613
  287    HA   ASP  37           HA       ASP  37   0.547 -17.481   4.899
  288   1HB   ASP  37          2HB       ASP  37   2.738 -17.345   6.994
  289   2HB   ASP  37          1HB       ASP  37   1.227 -18.242   7.102
  290    H    LYS  38           H        LYS  38   2.165 -14.682   4.933
  291    HA   LYS  38           HA       LYS  38   0.748 -13.375   7.108
  292   1HB   LYS  38          2HB       LYS  38   2.118 -11.433   6.521
  293   2HB   LYS  38          1HB       LYS  38   3.109 -12.848   6.793
  294   1HG   LYS  38          2HG       LYS  38   3.149 -13.168   4.294
  295   2HG   LYS  38          1HG       LYS  38   2.392 -11.579   4.174
  296   1HD   LYS  38          2HD       LYS  38   5.070 -12.217   5.407
  297   2HD   LYS  38          1HD       LYS  38   4.775 -11.345   3.900
  298   1HE   LYS  38          2HE       LYS  38   3.544  -9.626   5.229
  299   2HE   LYS  38          1HE       LYS  38   4.059 -10.463   6.692
  300   1HZ   LYS  38          1HZ       LYS  38   6.378 -10.107   5.972
  301   2HZ   LYS  38          2HZ       LYS  38   5.538  -8.664   6.262
  302   3HZ   LYS  38          3HZ       LYS  38   5.808  -9.181   4.670
  303    H    ILE  39           H        ILE  39  -0.226 -11.175   6.429
  304    HA   ILE  39           HA       ILE  39  -1.441 -11.406   3.770
  305    HB   ILE  39           HB       ILE  39  -3.678 -10.801   4.653
  306   1HG1  ILE  39          2HG1      ILE  39  -2.423 -11.424   7.343
  307   2HG1  ILE  39          1HG1      ILE  39  -2.970  -9.837   6.814
  308   1HG2  ILE  39          1HG2      ILE  39  -4.244 -13.035   5.487
  309   2HG2  ILE  39          2HG2      ILE  39  -2.526 -13.378   5.691
  310   3HG2  ILE  39          3HG2      ILE  39  -3.181 -13.093   4.081
  311   1HD1  ILE  39          1HD1      ILE  39  -4.715 -12.250   7.250
  312   2HD1  ILE  39          2HD1      ILE  39  -5.266 -10.661   6.721
  313   3HD1  ILE  39          3HD1      ILE  39  -4.565 -10.863   8.327
  314    H    GLU  40           H        GLU  40  -1.122  -9.590   2.677
  315    HA   GLU  40           HA       GLU  40  -1.163  -7.062   4.174
  316   1HB   GLU  40          2HB       GLU  40   0.477  -6.253   2.360
  317   2HB   GLU  40          1HB       GLU  40   1.081  -7.131   3.754
  318   1HG   GLU  40          2HG       GLU  40   0.416  -8.595   1.259
  319   2HG   GLU  40          1HG       GLU  40   1.913  -7.667   1.343
  320    H    VAL  41           H        VAL  41  -1.372  -5.169   2.874
  321    HA   VAL  41           HA       VAL  41  -3.610  -5.396   1.018
  322    HB   VAL  41           HB       VAL  41  -3.718  -2.906   1.339
  323   1HG1  VAL  41          1HG1      VAL  41  -3.787  -4.557   3.862
  324   2HG1  VAL  41          2HG1      VAL  41  -5.095  -4.411   2.686
  325   3HG1  VAL  41          3HG1      VAL  41  -4.585  -3.005   3.622
  326   1HG2  VAL  41          1HG2      VAL  41  -2.376  -1.839   3.000
  327   2HG2  VAL  41          2HG2      VAL  41  -1.287  -2.697   1.905
  328   3HG2  VAL  41          3HG2      VAL  41  -1.660  -3.375   3.488
  329    H    ILE  42           H        ILE  42  -3.666  -4.058  -0.953
  330    HA   ILE  42           HA       ILE  42  -0.992  -3.261  -1.917
  331    HB   ILE  42           HB       ILE  42  -3.302  -4.317  -3.577
  332   1HG1  ILE  42          2HG1      ILE  42  -0.487  -5.384  -3.191
  333   2HG1  ILE  42          1HG1      ILE  42  -1.930  -6.045  -2.434
  334   1HG2  ILE  42          1HG2      ILE  42  -0.635  -3.204  -4.493
  335   2HG2  ILE  42          2HG2      ILE  42  -2.211  -2.450  -4.728
  336   3HG2  ILE  42          3HG2      ILE  42  -1.833  -3.975  -5.530
  337   1HD1  ILE  42          1HD1      ILE  42  -2.820  -6.597  -4.649
  338   2HD1  ILE  42          2HD1      ILE  42  -1.274  -7.385  -4.332
  339   3HD1  ILE  42          3HD1      ILE  42  -1.343  -5.972  -5.383
  340    H    ILE  43           H        ILE  43  -1.058  -1.118  -1.465
  341    HA   ILE  43           HA       ILE  43  -3.451   0.398  -2.162
  342    HB   ILE  43           HB       ILE  43  -0.846   1.669  -1.402
  343   1HG1  ILE  43          2HG1      ILE  43  -2.896   0.732   0.619
  344   2HG1  ILE  43          1HG1      ILE  43  -1.348  -0.064   0.342
  345   1HG2  ILE  43          1HG2      ILE  43  -2.294   3.427  -0.607
  346   2HG2  ILE  43          2HG2      ILE  43  -3.713   2.432  -0.928
  347   3HG2  ILE  43          3HG2      ILE  43  -2.719   3.003  -2.274
  348   1HD1  ILE  43          1HD1      ILE  43  -1.814   2.713   1.383
  349   2HD1  ILE  43          2HD1      ILE  43  -0.234   2.100   0.900
  350   3HD1  ILE  43          3HD1      ILE  43  -1.106   1.342   2.239
  351    H    THR  44           H        THR  44  -3.660   1.177  -4.200
  352    HA   THR  44           HA       THR  44  -1.174   1.540  -5.667
  353    HB   THR  44           HB       THR  44  -2.786   0.617  -7.082
  354    HG1  THR  44           1HG      THR  44  -2.285   3.361  -7.416
  355   1HG2  THR  44          1HG2      THR  44  -4.802   1.066  -5.792
  356   2HG2  THR  44          2HG2      THR  44  -5.024   1.600  -7.460
  357   3HG2  THR  44          3HG2      THR  44  -4.697   2.782  -6.191
  358    H    LEU  45           H        LEU  45  -0.400   3.173  -4.258
  359    HA   LEU  45           HA       LEU  45  -1.845   5.698  -4.364
  360   1HB   LEU  45          2HB       LEU  45  -1.559   5.730  -2.148
  361   2HB   LEU  45          1HB       LEU  45  -0.652   4.237  -2.215
  362    HG   LEU  45           HG       LEU  45   1.382   5.614  -2.687
  363   1HD1  LEU  45          1HD1      LEU  45  -0.475   7.848  -1.854
  364   2HD1  LEU  45          2HD1      LEU  45   0.321   7.670  -3.419
  365   3HD1  LEU  45          3HD1      LEU  45   1.279   7.988  -1.970
  366   1HD2  LEU  45          1HD2      LEU  45  -0.030   6.075  -0.057
  367   2HD2  LEU  45          2HD2      LEU  45   1.708   6.193  -0.335
  368   3HD2  LEU  45          3HD2      LEU  45   0.892   4.637  -0.490
  369    H    LYS  46           H        LYS  46  -1.133   6.724  -6.046
  370    HA   LYS  46           HA       LYS  46   1.691   7.042  -6.440
  371   1HB   LYS  46          2HB       LYS  46   0.828   4.807  -7.490
  372   2HB   LYS  46          1HB       LYS  46   0.231   5.868  -8.757
  373   1HG   LYS  46          2HG       LYS  46   2.310   5.103  -9.509
  374   2HG   LYS  46          1HG       LYS  46   2.602   6.748  -8.940
  375   1HD   LYS  46          2HD       LYS  46   3.513   5.900  -6.862
  376   2HD   LYS  46          1HD       LYS  46   3.137   4.243  -7.345
  377   1HE   LYS  46          2HE       LYS  46   5.441   4.543  -7.781
  378   2HE   LYS  46          1HE       LYS  46   4.634   4.619  -9.343
  379   1HZ   LYS  46          1HZ       LYS  46   5.889   6.778  -7.796
  380   2HZ   LYS  46          2HZ       LYS  46   4.633   7.157  -8.865
  381   3HZ   LYS  46          3HZ       LYS  46   6.045   6.413  -9.444
  382    H    GLU  47           H        GLU  47   2.022   8.209  -8.719
  383    HA   GLU  47           HA       GLU  47   0.307  10.493  -8.804
  384   1HB   GLU  47          2HB       GLU  47   2.315   9.590 -10.880
  385   2HB   GLU  47          1HB       GLU  47   1.632  11.201 -10.716
  386   1HG   GLU  47          2HG       GLU  47   3.606  11.576  -9.689
  387   2HG   GLU  47          1HG       GLU  47   2.711  10.975  -8.294
  388    H    ASN  48           H        ASN  48   0.592   7.484 -10.551
  389    HA   ASN  48           HA       ASN  48  -2.034   8.011 -11.762
  390   1HB   ASN  48          2HB       ASN  48  -0.324   8.276 -13.511
  391   2HB   ASN  48          1HB       ASN  48   0.306   6.673 -13.143
  392   1HD2  ASN  48          1HD2      ASN  48  -2.226   8.482 -14.647
  393   2HD2  ASN  48          2HD2      ASN  48  -2.987   7.145 -15.445
  394    H    LYS  49           H        LYS  49   0.387   5.439 -11.221
  395    HA   LYS  49           HA       LYS  49  -1.468   3.791  -9.795
  396   1HB   LYS  49          2HB       LYS  49  -2.204   3.434 -12.147
  397   2HB   LYS  49          1HB       LYS  49  -0.589   2.867 -12.532
  398   1HG   LYS  49          2HG       LYS  49  -0.957   1.116 -10.716
  399   2HG   LYS  49          1HG       LYS  49  -2.661   1.567 -10.809
  400   1HD   LYS  49          2HD       LYS  49  -0.971   0.586 -13.113
  401   2HD   LYS  49          1HD       LYS  49  -2.156  -0.369 -12.225
  402   1HE   LYS  49          2HE       LYS  49  -2.840   2.164 -13.705
  403   2HE   LYS  49          1HE       LYS  49  -2.935   0.559 -14.430
  404   1HZ   LYS  49          1HZ       LYS  49  -5.081   1.215 -13.625
  405   2HZ   LYS  49          2HZ       LYS  49  -4.468   1.522 -12.072
  406   3HZ   LYS  49          3HZ       LYS  49  -4.510  -0.062 -12.668
  407    H    GLY  50           H        GLY  50  -0.353   2.321  -8.531
  408   1HA   GLY  50          2HA       GLY  50   2.100   1.140  -9.162
  409   2HA   GLY  50          1HA       GLY  50   2.440   2.630  -8.283
  410    H    GLN  51           H        GLN  51   3.059   0.043  -7.259
  411    HA   GLN  51           HA       GLN  51   0.852  -0.642  -5.511
  412   1HB   GLN  51          2HB       GLN  51   3.549  -1.938  -5.800
  413   2HB   GLN  51          1HB       GLN  51   2.266  -2.512  -4.752
  414   1HG   GLN  51          2HG       GLN  51   0.838  -2.658  -6.854
  415   2HG   GLN  51          1HG       GLN  51   2.348  -2.466  -7.745
  416   1HE2  GLN  51          1HE2      GLN  51   3.910  -4.085  -7.643
  417   2HE2  GLN  51          2HE2      GLN  51   3.525  -5.686  -7.093
  418    H    ARG  52           H        ARG  52   0.952  -0.839  -3.350
  419    HA   ARG  52           HA       ARG  52   3.155   0.267  -1.845
  420   1HB   ARG  52          2HB       ARG  52   0.354   1.398  -1.795
  421   2HB   ARG  52          1HB       ARG  52   1.502   1.656  -0.502
  422   1HG   ARG  52          2HG       ARG  52   2.082   2.439  -3.331
  423   2HG   ARG  52          1HG       ARG  52   1.227   3.495  -2.200
  424   1HD   ARG  52          2HD       ARG  52   3.983   2.326  -1.807
  425   2HD   ARG  52          1HD       ARG  52   3.623   3.993  -2.260
  426    HE   ARG  52           HE       ARG  52   2.293   3.336   0.141
  427   1HH1  ARG  52          1HH1      ARG  52   5.461   4.083  -1.118
  428   2HH1  ARG  52          2HH1      ARG  52   6.095   4.628   0.406
  429   1HH2  ARG  52          1HH2      ARG  52   3.102   4.062   2.147
  430   2HH2  ARG  52          2HH2      ARG  52   4.746   4.604   2.272
  431    H    CYS  53           H        CYS  53   3.303  -1.965  -1.264
  432    HA   CYS  53           HA       CYS  53   1.066  -3.044   0.205
  433   1HB   CYS  53          2HB       CYS  53   2.974  -4.925   0.512
  434   2HB   CYS  53          1HB       CYS  53   1.954  -4.819  -0.919
  435    H    LEU  54           H        LEU  54   0.944  -1.726   1.986
  436    HA   LEU  54           HA       LEU  54   3.316  -1.473   3.671
  437   1HB   LEU  54          2HB       LEU  54   0.617  -0.133   3.819
  438   2HB   LEU  54          1HB       LEU  54   1.909   0.122   4.977
  439    HG   LEU  54           HG       LEU  54   1.978   0.831   2.046
  440   1HD1  LEU  54          1HD1      LEU  54   1.904   2.544   4.523
  441   2HD1  LEU  54          2HD1      LEU  54   0.584   2.314   3.376
  442   3HD1  LEU  54          3HD1      LEU  54   2.063   3.130   2.867
  443   1HD2  LEU  54          1HD2      LEU  54   4.172   0.117   2.808
  444   2HD2  LEU  54          2HD2      LEU  54   4.062   1.201   4.194
  445   3HD2  LEU  54          3HD2      LEU  54   4.146   1.862   2.561
  446    H    ASN  55           H        ASN  55   3.636  -2.855   5.210
  447    HA   ASN  55           HA       ASN  55   1.506  -3.905   6.818
  448   1HB   ASN  55          2HB       ASN  55   1.406  -5.349   4.794
  449   2HB   ASN  55          1HB       ASN  55   3.074  -5.829   5.086
  450   1HD2  ASN  55          1HD2      ASN  55   2.314  -8.004   5.186
  451   2HD2  ASN  55          2HD2      ASN  55   1.564  -8.588   6.638
  452    HA   PRO  56           HA       PRO  56   5.924  -5.502   8.361
  453   1HB   PRO  56          2HB       PRO  56   7.558  -3.503   6.882
  454   2HB   PRO  56          1HB       PRO  56   7.939  -5.174   7.315
  455   1HG   PRO  56          2HG       PRO  56   7.294  -4.543   4.815
  456   2HG   PRO  56          1HG       PRO  56   6.716  -6.050   5.551
  457   1HD   PRO  56          2HD       PRO  56   5.251  -3.494   5.056
  458   2HD   PRO  56          1HD       PRO  56   4.679  -5.169   4.911
  459    H    LYS  57           H        LYS  57   5.483  -4.706  10.293
  460    HA   LYS  57           HA       LYS  57   5.603  -3.386  12.137
  461   1HB   LYS  57          2HB       LYS  57   6.914  -1.283  10.407
  462   2HB   LYS  57          1HB       LYS  57   6.862  -1.309  12.162
  463   1HG   LYS  57          2HG       LYS  57   8.230  -3.335  12.174
  464   2HG   LYS  57          1HG       LYS  57   8.288  -3.303  10.410
  465   1HD   LYS  57          2HD       LYS  57   9.402  -1.243  12.310
  466   2HD   LYS  57          1HD       LYS  57  10.322  -2.347  11.287
  467   1HE   LYS  57          2HE       LYS  57   8.521  -0.113  10.355
  468   2HE   LYS  57          1HE       LYS  57  10.283  -0.117  10.326
  469   1HZ   LYS  57          1HZ       LYS  57   9.395  -0.618   8.158
  470   2HZ   LYS  57          2HZ       LYS  57   8.509  -1.921   8.777
  471   3HZ   LYS  57          3HZ       LYS  57  10.201  -1.982   8.769
  472    H    SER  58           H        SER  58   5.142  -0.968   9.560
  473    HA   SER  58           HA       SER  58   2.651  -0.184  10.915
  474   1HB   SER  58          2HB       SER  58   4.386   1.451   9.042
  475   2HB   SER  58          1HB       SER  58   2.950   2.021   9.891
  476    HG   SER  58           HG       SER  58   4.404   1.061  11.787
  477    H    LYS  59           H        LYS  59   0.768  -0.349   9.868
  478    HA   LYS  59           HA       LYS  59   0.830  -1.303   7.088
  479   1HB   LYS  59          2HB       LYS  59  -1.434  -1.332   9.104
  480   2HB   LYS  59          1HB       LYS  59  -1.523  -1.967   7.471
  481   1HG   LYS  59          2HG       LYS  59  -1.246  -3.834   8.857
  482   2HG   LYS  59          1HG       LYS  59   0.338  -3.557   8.134
  483   1HD   LYS  59          2HD       LYS  59   1.177  -2.592  10.139
  484   2HD   LYS  59          1HD       LYS  59  -0.436  -2.505  10.849
  485   1HE   LYS  59          2HE       LYS  59   0.867  -4.337  11.803
  486   2HE   LYS  59          1HE       LYS  59  -0.546  -4.934  10.938
  487   1HZ   LYS  59          1HZ       LYS  59   0.788  -5.660   9.155
  488   2HZ   LYS  59          2HZ       LYS  59   1.593  -6.166  10.556
  489   3HZ   LYS  59          3HZ       LYS  59   2.146  -4.812   9.705
  490    H    GLN  60           H        GLN  60  -1.057   0.848   9.181
  491    HA   GLN  60           HA       GLN  60  -2.080   2.833   8.889
  492   1HB   GLN  60          2HB       GLN  60   0.189   3.470   8.015
  493   2HB   GLN  60          1HB       GLN  60  -0.411   3.142   6.396
  494   1HG   GLN  60          2HG       GLN  60  -2.078   4.881   6.626
  495   2HG   GLN  60          1HG       GLN  60  -1.570   5.174   8.287
  496   1HE2  GLN  60          1HE2      GLN  60  -0.823   5.644   4.940
  497   2HE2  GLN  60          2HE2      GLN  60   0.459   6.778   5.178
  498    H    ALA  61           H        ALA  61  -2.302   0.406   6.554
  499    HA   ALA  61           HA       ALA  61  -4.160   1.531   4.766
  500   1HB   ALA  61          1HB       ALA  61  -4.690  -0.750   4.139
  501   2HB   ALA  61          2HB       ALA  61  -3.897  -1.361   5.592
  502   3HB   ALA  61          3HB       ALA  61  -2.946  -0.571   4.334
  503    H    ARG  62           H        ARG  62  -4.354   0.578   7.997
  504    HA   ARG  62           HA       ARG  62  -7.055   0.003   8.347
  505   1HB   ARG  62          2HB       ARG  62  -5.297  -0.255  10.072
  506   2HB   ARG  62          1HB       ARG  62  -5.163   1.497  10.184
  507   1HG   ARG  62          2HG       ARG  62  -6.460   0.671  12.029
  508   2HG   ARG  62          1HG       ARG  62  -7.518   1.578  10.945
  509   1HD   ARG  62          2HD       ARG  62  -8.602  -0.464  11.695
  510   2HD   ARG  62          1HD       ARG  62  -8.299  -0.518   9.958
  511    HE   ARG  62           HE       ARG  62  -6.457  -1.837  11.840
  512   1HH1  ARG  62          1HH1      ARG  62  -8.742  -1.996   9.186
  513   2HH1  ARG  62          2HH1      ARG  62  -8.308  -3.622   8.735
  514   1HH2  ARG  62          1HH2      ARG  62  -5.915  -3.994  11.291
  515   2HH2  ARG  62          2HH2      ARG  62  -6.691  -4.762   9.930
  516    H    LEU  63           H        LEU  63  -5.300   3.058   8.208
  517    HA   LEU  63           HA       LEU  63  -7.663   4.658   8.590
  518   1HB   LEU  63          2HB       LEU  63  -4.868   5.426   7.761
  519   2HB   LEU  63          1HB       LEU  63  -6.148   6.560   8.148
  520    HG   LEU  63           HG       LEU  63  -4.983   4.575  10.099
  521   1HD1  LEU  63          1HD1      LEU  63  -4.471   7.527   9.775
  522   2HD1  LEU  63          2HD1      LEU  63  -3.319   6.226   9.469
  523   3HD1  LEU  63          3HD1      LEU  63  -3.896   6.526  11.109
  524   1HD2  LEU  63          1HD2      LEU  63  -6.832   6.920  10.499
  525   2HD2  LEU  63          2HD2      LEU  63  -6.181   5.881  11.766
  526   3HD2  LEU  63          3HD2      LEU  63  -7.295   5.220  10.570
  527    H    ILE  64           H        ILE  64  -5.617   3.617   5.970
  528    HA   ILE  64           HA       ILE  64  -6.812   5.285   4.019
  529    HB   ILE  64           HB       ILE  64  -5.354   2.670   3.522
  530   1HG1  ILE  64          2HG1      ILE  64  -3.980   4.132   4.922
  531   2HG1  ILE  64          1HG1      ILE  64  -3.309   4.033   3.298
  532   1HG2  ILE  64          1HG2      ILE  64  -4.788   3.645   1.353
  533   2HG2  ILE  64          2HG2      ILE  64  -5.716   5.090   1.754
  534   3HG2  ILE  64          3HG2      ILE  64  -6.535   3.539   1.566
  535   1HD1  ILE  64          1HD1      ILE  64  -4.312   6.216   2.780
  536   2HD1  ILE  64          2HD1      ILE  64  -3.186   6.294   4.134
  537   3HD1  ILE  64          3HD1      ILE  64  -4.924   6.306   4.432
  538    H    ILE  65           H        ILE  65  -7.932   2.576   5.632
  539    HA   ILE  65           HA       ILE  65  -9.516   1.301   3.718
  540    HB   ILE  65           HB       ILE  65  -9.299   1.275   6.608
  541   1HG1  ILE  65          2HG1      ILE  65  -8.683  -0.584   5.158
  542   2HG1  ILE  65          1HG1      ILE  65  -9.948  -1.081   6.277
  543   1HG2  ILE  65          1HG2      ILE  65 -11.558   2.243   6.522
  544   2HG2  ILE  65          2HG2      ILE  65 -11.560   0.605   7.176
  545   3HG2  ILE  65          3HG2      ILE  65 -12.087   0.894   5.517
  546   1HD1  ILE  65          1HD1      ILE  65 -10.304  -0.364   3.378
  547   2HD1  ILE  65          2HD1      ILE  65 -11.610  -0.766   4.492
  548   3HD1  ILE  65          3HD1      ILE  65 -10.389  -1.977   4.088
  549    H    LYS  66           H        LYS  66 -10.079   4.164   5.681
  550    HA   LYS  66           HA       LYS  66 -12.770   4.422   4.723
  551   1HB   LYS  66          2HB       LYS  66 -11.757   5.293   6.968
  552   2HB   LYS  66          1HB       LYS  66 -11.226   6.665   6.002
  553   1HG   LYS  66          2HG       LYS  66 -13.277   7.298   6.971
  554   2HG   LYS  66          1HG       LYS  66 -13.632   6.927   5.282
  555   1HD   LYS  66          2HD       LYS  66 -14.273   4.609   6.064
  556   2HD   LYS  66          1HD       LYS  66 -14.182   5.234   7.710
  557   1HE   LYS  66          2HE       LYS  66 -16.458   5.349   7.060
  558   2HE   LYS  66          1HE       LYS  66 -15.837   7.000   7.016
  559   1HZ   LYS  66          1HZ       LYS  66 -15.631   6.864   4.640
  560   2HZ   LYS  66          2HZ       LYS  66 -17.211   6.423   5.072
  561   3HZ   LYS  66          3HZ       LYS  66 -16.088   5.230   4.646
  562    H    LYS  67           H        LYS  67  -9.832   4.856   3.362
  563    HA   LYS  67           HA       LYS  67 -10.571   7.181   1.765
  564   1HB   LYS  67          2HB       LYS  67  -7.997   5.664   2.067
  565   2HB   LYS  67          1HB       LYS  67  -8.258   6.726   0.692
  566   1HG   LYS  67          2HG       LYS  67  -7.055   7.955   2.317
  567   2HG   LYS  67          1HG       LYS  67  -8.705   8.576   2.316
  568   1HD   LYS  67          2HD       LYS  67  -9.202   7.163   4.277
  569   2HD   LYS  67          1HD       LYS  67  -7.518   6.634   4.293
  570   1HE   LYS  67          2HE       LYS  67  -7.852   8.394   5.922
  571   2HE   LYS  67          1HE       LYS  67  -6.809   8.965   4.621
  572   1HZ   LYS  67          1HZ       LYS  67  -8.608  10.171   3.672
  573   2HZ   LYS  67          2HZ       LYS  67  -8.552  10.569   5.318
  574   3HZ   LYS  67          3HZ       LYS  67  -9.727   9.489   4.743
  575    H    VAL  68           H        VAL  68  -9.694   3.788   1.450
  576    HA   VAL  68           HA       VAL  68 -10.255   3.599  -1.327
  577    HB   VAL  68           HB       VAL  68 -10.471   1.270   0.575
  578   1HG1  VAL  68          1HG1      VAL  68  -9.508   1.526  -2.257
  579   2HG1  VAL  68          2HG1      VAL  68 -11.040   0.832  -1.720
  580   3HG1  VAL  68          3HG1      VAL  68  -9.518   0.040  -1.310
  581   1HG2  VAL  68          1HG2      VAL  68  -8.048   0.960   0.383
  582   2HG2  VAL  68          2HG2      VAL  68  -8.468   2.444   1.241
  583   3HG2  VAL  68          3HG2      VAL  68  -7.929   2.517  -0.436
  584    H    GLU  69           H        GLU  69 -12.132   3.635   1.542
  585    HA   GLU  69           HA       GLU  69 -14.422   2.298   0.382
  586   1HB   GLU  69          2HB       GLU  69 -13.820   1.993   2.747
  587   2HB   GLU  69          1HB       GLU  69 -14.068   3.711   3.029
  588   1HG   GLU  69          2HG       GLU  69 -16.415   3.470   2.451
  589   2HG   GLU  69          1HG       GLU  69 -16.176   1.745   2.182
  590    H    ARG  70           H        ARG  70 -13.152   5.361   0.143
  591    HA   ARG  70           HA       ARG  70 -15.605   6.856   0.168
  592   1HB   ARG  70          2HB       ARG  70 -13.642   8.097   0.666
  593   2HB   ARG  70          1HB       ARG  70 -12.818   7.504  -0.771
  594   1HG   ARG  70          2HG       ARG  70 -14.303   8.783  -2.195
  595   2HG   ARG  70          1HG       ARG  70 -15.222   9.326  -0.789
  596   1HD   ARG  70          2HD       ARG  70 -12.284   9.857  -1.135
  597   2HD   ARG  70          1HD       ARG  70 -13.531  10.955  -1.725
  598    HE   ARG  70           HE       ARG  70 -14.278  11.126   0.624
  599   1HH1  ARG  70          1HH1      ARG  70 -11.019  10.063  -0.061
  600   2HH1  ARG  70          2HH1      ARG  70 -10.377  10.652   1.445
  601   1HH2  ARG  70          1HH2      ARG  70 -13.454  11.917   2.588
  602   2HH2  ARG  70          2HH2      ARG  70 -11.769  11.702   2.965
  603    H    LYS  71           H        LYS  71 -17.083   6.263  -1.246
  604    HA   LYS  71           HA       LYS  71 -18.193   5.964  -3.192
  605   1HB   LYS  71          2HB       LYS  71 -15.763   7.303  -4.392
  606   2HB   LYS  71          1HB       LYS  71 -17.236   6.940  -5.279
  607   1HG   LYS  71          2HG       LYS  71 -17.974   8.371  -2.951
  608   2HG   LYS  71          1HG       LYS  71 -16.620   9.220  -3.702
  609   1HD   LYS  71          2HD       LYS  71 -19.180   8.388  -5.071
  610   2HD   LYS  71          1HD       LYS  71 -18.756  10.027  -4.571
  611   1HE   LYS  71          2HE       LYS  71 -17.205   8.370  -6.557
  612   2HE   LYS  71          1HE       LYS  71 -18.390   9.601  -6.983
  613   1HZ   LYS  71          1HZ       LYS  71 -15.936  10.121  -5.390
  614   2HZ   LYS  71          2HZ       LYS  71 -17.029  11.280  -5.985
  615   3HZ   LYS  71          3HZ       LYS  71 -16.068  10.384  -7.059
  616    H    ASN  72           H        ASN  72 -17.729   5.084  -5.607
  617    HA   ASN  72           HA       ASN  72 -15.699   3.045  -5.724
  618   1HB   ASN  72          2HB       ASN  72 -17.383   1.849  -4.432
  619   2HB   ASN  72          1HB       ASN  72 -18.634   2.303  -5.584
  620   1HD2  ASN  72          1HD2      ASN  72 -18.820   1.199  -7.491
  621   2HD2  ASN  72          2HD2      ASN  72 -17.939  -0.248  -7.837
  622    H    PHE  73           H        PHE  73 -15.176   2.596  -7.800
  623    HA   PHE  73           HA       PHE  73 -16.640   4.038  -9.867
  624   1HB   PHE  73          2HB       PHE  73 -14.138   4.228  -9.676
  625   2HB   PHE  73          1HB       PHE  73 -14.031   2.525 -10.113
  626    HD1  PHE  73           1HD      PHE  73 -14.172   1.833 -12.367
  627    HD2  PHE  73           2HD      PHE  73 -15.068   5.855 -11.314
  628    HE1  PHE  73           1HE      PHE  73 -14.174   2.453 -14.747
  629    HE2  PHE  73           2HE      PHE  73 -15.074   6.484 -13.693
  630    HZ   PHE  73           HZ       PHE  73 -14.630   4.783 -15.414
  Start of MODEL    2
    1   1H    PHE   1          1HT       PHE   1  14.408 -19.026  -8.417
    2   2H    PHE   1          2HT       PHE   1  12.930 -18.327  -8.862
    3   3H    PHE   1          3HT       PHE   1  13.449 -19.752  -9.618
    4    HA   PHE   1           HA       PHE   1  11.765 -20.301  -8.058
    5   1HB   PHE   1          2HB       PHE   1  14.538 -20.999  -7.056
    6   2HB   PHE   1          1HB       PHE   1  13.062 -21.777  -6.497
    7    HD1  PHE   1           1HD      PHE   1  11.718 -23.137  -8.086
    8    HD2  PHE   1           2HD      PHE   1  15.570 -21.623  -9.086
    9    HE1  PHE   1           1HE      PHE   1  11.878 -24.764  -9.925
   10    HE2  PHE   1           2HE      PHE   1  15.733 -23.243 -10.930
   11    HZ   PHE   1           HZ       PHE   1  13.885 -24.817 -11.351
   12    HA   PRO   2           HA       PRO   2  11.320 -17.140  -4.935
   13   1HB   PRO   2          2HB       PRO   2   9.089 -18.880  -4.064
   14   2HB   PRO   2          1HB       PRO   2   9.070 -17.175  -4.529
   15   1HG   PRO   2          2HG       PRO   2   8.057 -19.063  -6.132
   16   2HG   PRO   2          1HG       PRO   2   8.915 -17.655  -6.787
   17   1HD   PRO   2          2HD       PRO   2   9.875 -20.468  -6.434
   18   2HD   PRO   2          1HD       PRO   2  10.162 -19.337  -7.774
   19    H    MET   3           H        MET   3  12.606 -17.127  -3.228
   20    HA   MET   3           HA       MET   3  13.540 -19.345  -1.817
   21   1HB   MET   3          2HB       MET   3  13.301 -16.474  -0.896
   22   2HB   MET   3          1HB       MET   3  14.258 -17.712  -0.093
   23   1HG   MET   3          2HG       MET   3  14.689 -16.739  -2.909
   24   2HG   MET   3          1HG       MET   3  15.614 -16.226  -1.499
   25   1HE   MET   3          1HE       MET   3  15.981 -18.786   0.174
   26   2HE   MET   3          2HE       MET   3  17.356 -17.755  -0.220
   27   3HE   MET   3          3HE       MET   3  17.456 -19.500  -0.473
   28    H    PHE   4           H        PHE   4  12.606 -20.629  -0.352
   29    HA   PHE   4           HA       PHE   4   9.873 -20.115   0.374
   30   1HB   PHE   4          2HB       PHE   4  10.945 -22.381  -0.251
   31   2HB   PHE   4          1HB       PHE   4  11.527 -22.406   1.409
   32    HD1  PHE   4           1HD      PHE   4   8.497 -22.314  -0.692
   33    HD2  PHE   4           2HD      PHE   4  10.092 -23.001   3.194
   34    HE1  PHE   4           1HE      PHE   4   6.336 -23.247   0.026
   35    HE2  PHE   4           2HE      PHE   4   7.936 -23.931   3.920
   36    HZ   PHE   4           HZ       PHE   4   6.055 -24.056   2.340
   37    H    LYS   5           H        LYS   5  10.736 -18.112   1.483
   38    HA   LYS   5           HA       LYS   5  10.695 -18.648   4.353
   39   1HB   LYS   5          2HB       LYS   5  12.718 -16.837   3.009
   40   2HB   LYS   5          1HB       LYS   5  12.394 -16.839   4.734
   41   1HG   LYS   5          2HG       LYS   5  13.409 -19.210   3.181
   42   2HG   LYS   5          1HG       LYS   5  14.418 -18.101   4.110
   43   1HD   LYS   5          2HD       LYS   5  13.289 -18.721   6.156
   44   2HD   LYS   5          1HD       LYS   5  12.155 -19.733   5.260
   45   1HE   LYS   5          2HE       LYS   5  15.134 -20.165   5.454
   46   2HE   LYS   5          1HE       LYS   5  13.902 -21.066   6.336
   47   1HZ   LYS   5          1HZ       LYS   5  14.596 -22.316   4.433
   48   2HZ   LYS   5          2HZ       LYS   5  14.287 -21.018   3.389
   49   3HZ   LYS   5          3HZ       LYS   5  13.004 -21.793   4.180
   50    H    ARG   6           H        ARG   6  11.297 -15.718   2.469
   51    HA   ARG   6           HA       ARG   6   8.560 -14.786   3.041
   52   1HB   ARG   6          2HB       ARG   6  10.969 -12.962   2.932
   53   2HB   ARG   6          1HB       ARG   6   9.346 -12.570   3.482
   54   1HG   ARG   6          2HG       ARG   6  11.227 -14.467   4.873
   55   2HG   ARG   6          1HG       ARG   6  10.976 -12.781   5.319
   56   1HD   ARG   6          2HD       ARG   6   8.768 -14.828   5.229
   57   2HD   ARG   6          1HD       ARG   6   9.699 -14.469   6.681
   58    HE   ARG   6           HE       ARG   6   8.741 -12.045   5.743
   59   1HH1  ARG   6          1HH1      ARG   6   7.398 -15.057   6.935
   60   2HH1  ARG   6          2HH1      ARG   6   5.983 -14.309   7.603
   61   1HH2  ARG   6          1HH2      ARG   6   6.881 -11.066   6.630
   62   2HH2  ARG   6          2HH2      ARG   6   5.679 -12.042   7.427
   63    H    GLY   7           H        GLY   7   7.714 -15.141   1.013
   64   1HA   GLY   7          2HA       GLY   7   9.447 -14.496  -1.271
   65   2HA   GLY   7          1HA       GLY   7   8.132 -15.654  -1.293
   66    H    ARG   8           H        ARG   8   5.909 -14.673  -0.975
   67    HA   ARG   8           HA       ARG   8   5.808 -12.531  -2.984
   68   1HB   ARG   8          2HB       ARG   8   4.791 -14.769  -3.457
   69   2HB   ARG   8          1HB       ARG   8   3.642 -14.473  -2.163
   70   1HG   ARG   8          2HG       ARG   8   2.587 -14.004  -4.249
   71   2HG   ARG   8          1HG       ARG   8   2.843 -12.477  -3.399
   72   1HD   ARG   8          2HD       ARG   8   4.852 -12.083  -4.752
   73   2HD   ARG   8          1HD       ARG   8   4.564 -13.597  -5.609
   74    HE   ARG   8           HE       ARG   8   2.352 -11.746  -5.695
   75   1HH1  ARG   8          1HH1      ARG   8   5.281 -12.857  -7.249
   76   2HH1  ARG   8          2HH1      ARG   8   4.928 -12.094  -8.765
   77   1HH2  ARG   8          1HH2      ARG   8   1.849 -10.768  -7.703
   78   2HH2  ARG   8          2HH2      ARG   8   2.967 -10.924  -9.036
   79    H    CYS   9           H        CYS   9   5.560 -12.736   0.278
   80    HA   CYS   9           HA       CYS   9   3.243 -10.937   0.454
   81   1HB   CYS   9          2HB       CYS   9   3.271 -11.590   2.897
   82   2HB   CYS   9          1HB       CYS   9   2.902 -12.885   1.762
   83    H    LEU  10           H        LEU  10   5.926  -9.998  -0.286
   84    HA   LEU  10           HA       LEU  10   6.016  -7.835   1.617
   85   1HB   LEU  10          2HB       LEU  10   7.540  -9.600   2.562
   86   2HB   LEU  10          1HB       LEU  10   8.536  -9.411   1.132
   87    HG   LEU  10           HG       LEU  10   8.826  -6.998   1.745
   88   1HD1  LEU  10          1HD1      LEU  10   6.874  -6.745   3.168
   89   2HD1  LEU  10          2HD1      LEU  10   8.346  -6.355   4.058
   90   3HD1  LEU  10          3HD1      LEU  10   7.542  -7.904   4.317
   91   1HD2  LEU  10          1HD2      LEU  10  10.469  -7.453   3.495
   92   2HD2  LEU  10          2HD2      LEU  10  10.544  -8.658   2.210
   93   3HD2  LEU  10          3HD2      LEU  10   9.765  -9.049   3.744
   94    H    CYS  11           H        CYS  11   6.080  -6.068   0.413
   95    HA   CYS  11           HA       CYS  11   7.742  -6.096  -2.006
   96   1HB   CYS  11          2HB       CYS  11   5.470  -4.291  -1.192
   97   2HB   CYS  11          1HB       CYS  11   6.542  -3.929  -2.541
   98    H    ILE  12           H        ILE  12   6.755  -3.489   0.222
   99    HA   ILE  12           HA       ILE  12   7.929  -1.910   1.329
  100    HB   ILE  12           HB       ILE  12  10.211  -3.842   0.931
  101   1HG1  ILE  12          2HG1      ILE  12   8.571  -3.058   3.352
  102   2HG1  ILE  12          1HG1      ILE  12   8.479  -4.587   2.480
  103   1HG2  ILE  12          1HG2      ILE  12  10.191  -1.261   2.472
  104   2HG2  ILE  12          2HG2      ILE  12  11.124  -1.607   1.017
  105   3HG2  ILE  12          3HG2      ILE  12  11.476  -2.467   2.516
  106   1HD1  ILE  12          1HD1      ILE  12   9.735  -4.812   4.547
  107   2HD1  ILE  12          2HD1      ILE  12  10.864  -3.570   4.002
  108   3HD1  ILE  12          3HD1      ILE  12  10.762  -5.107   3.141
  109    H    GLY  13           H        GLY  13   8.258   0.009   0.412
  110   1HA   GLY  13          2HA       GLY  13  10.144   0.843  -1.295
  111   2HA   GLY  13          1HA       GLY  13   9.055   0.024  -2.368
  112    HA   PRO  14           HA       PRO  14   6.426   3.500  -2.563
  113   1HB   PRO  14          2HB       PRO  14   3.961   2.424  -2.519
  114   2HB   PRO  14          1HB       PRO  14   5.082   2.073  -3.841
  115   1HG   PRO  14          2HG       PRO  14   4.334   0.407  -1.485
  116   2HG   PRO  14          1HG       PRO  14   4.680  -0.091  -3.152
  117   1HD   PRO  14          2HD       PRO  14   6.477  -0.224  -1.019
  118   2HD   PRO  14          1HD       PRO  14   6.925  -0.266  -2.732
  119    H    GLY  15           H        GLY  15   7.322   3.088   0.151
  120   1HA   GLY  15          2HA       GLY  15   5.030   3.102   1.883
  121   2HA   GLY  15          1HA       GLY  15   6.702   3.353   2.361
  122    H    VAL  16           H        VAL  16   4.133   5.007   0.505
  123    HA   VAL  16           HA       VAL  16   5.232   7.572   1.480
  124    HB   VAL  16           HB       VAL  16   4.296   8.580  -0.581
  125   1HG1  VAL  16          1HG1      VAL  16   5.927   7.651  -2.142
  126   2HG1  VAL  16          2HG1      VAL  16   6.155   6.262  -1.079
  127   3HG1  VAL  16          3HG1      VAL  16   6.624   7.874  -0.537
  128   1HG2  VAL  16          1HG2      VAL  16   3.522   7.141  -2.401
  129   2HG2  VAL  16          2HG2      VAL  16   2.490   6.976  -0.980
  130   3HG2  VAL  16          3HG2      VAL  16   3.679   5.728  -1.356
  131    H    LYS  17           H        LYS  17   3.058   9.117   0.477
  132    HA   LYS  17           HA       LYS  17   0.522   8.292   1.303
  133   1HB   LYS  17          2HB       LYS  17   1.505   8.360   3.567
  134   2HB   LYS  17          1HB       LYS  17   2.005  10.022   3.306
  135   1HG   LYS  17          2HG       LYS  17  -0.274  10.758   3.247
  136   2HG   LYS  17          1HG       LYS  17  -0.854   9.092   3.321
  137   1HD   LYS  17          2HD       LYS  17   0.027   8.817   5.534
  138   2HD   LYS  17          1HD       LYS  17   0.836  10.384   5.459
  139   1HE   LYS  17          2HE       LYS  17  -2.149   9.972   5.340
  140   2HE   LYS  17          1HE       LYS  17  -1.253  10.414   6.794
  141   1HZ   LYS  17          1HZ       LYS  17  -2.228  12.351   5.723
  142   2HZ   LYS  17          2HZ       LYS  17  -1.380  12.016   4.292
  143   3HZ   LYS  17          3HZ       LYS  17  -0.533  12.441   5.695
  144    H    ALA  18           H        ALA  18  -0.216   9.333  -0.518
  145    HA   ALA  18           HA       ALA  18  -0.250  12.217  -0.567
  146   1HB   ALA  18          1HB       ALA  18   2.053  11.665  -1.347
  147   2HB   ALA  18          2HB       ALA  18   1.096  12.549  -2.531
  148   3HB   ALA  18          3HB       ALA  18   1.337  10.811  -2.715
  149    H    VAL  19           H        VAL  19  -0.595  12.469  -3.387
  150    HA   VAL  19           HA       VAL  19  -2.146  12.401  -5.010
  151    HB   VAL  19           HB       VAL  19  -2.690  10.245  -5.966
  152   1HG1  VAL  19          1HG1      VAL  19  -0.396   9.440  -6.325
  153   2HG1  VAL  19          2HG1      VAL  19   0.152  10.449  -4.984
  154   3HG1  VAL  19          3HG1      VAL  19  -0.522  11.195  -6.434
  155   1HG2  VAL  19          1HG2      VAL  19  -1.476   9.068  -3.470
  156   2HG2  VAL  19          2HG2      VAL  19  -1.871   8.160  -4.931
  157   3HG2  VAL  19          3HG2      VAL  19  -3.154   8.930  -3.997
  158    H    LYS  20           H        LYS  20  -4.300  10.665  -5.528
  159    HA   LYS  20           HA       LYS  20  -6.239  12.024  -3.816
  160   1HB   LYS  20          2HB       LYS  20  -6.493  10.648  -6.483
  161   2HB   LYS  20          1HB       LYS  20  -7.832  11.402  -5.629
  162   1HG   LYS  20          2HG       LYS  20  -5.355  12.879  -6.482
  163   2HG   LYS  20          1HG       LYS  20  -6.820  12.768  -7.457
  164   1HD   LYS  20          2HD       LYS  20  -6.660  13.924  -4.674
  165   2HD   LYS  20          1HD       LYS  20  -6.705  14.863  -6.166
  166   1HE   LYS  20          2HE       LYS  20  -8.855  13.048  -5.085
  167   2HE   LYS  20          1HE       LYS  20  -8.911  14.805  -5.206
  168   1HZ   LYS  20          1HZ       LYS  20 -10.124  14.082  -7.024
  169   2HZ   LYS  20          2HZ       LYS  20  -9.077  12.789  -7.358
  170   3HZ   LYS  20          3HZ       LYS  20  -8.596  14.383  -7.706
  171    H    VAL  21           H        VAL  21  -6.962  10.879  -2.136
  172    HA   VAL  21           HA       VAL  21  -6.640   8.044  -1.923
  173    HB   VAL  21           HB       VAL  21  -7.754   8.369   0.320
  174   1HG1  VAL  21          1HG1      VAL  21  -5.346  10.067  -0.337
  175   2HG1  VAL  21          2HG1      VAL  21  -5.338   8.356   0.088
  176   3HG1  VAL  21          3HG1      VAL  21  -5.822   9.557   1.284
  177   1HG2  VAL  21          1HG2      VAL  21  -9.088  10.341  -0.231
  178   2HG2  VAL  21          2HG2      VAL  21  -7.615  11.277  -0.482
  179   3HG2  VAL  21          3HG2      VAL  21  -8.010  10.672   1.127
  180    H    ALA  22           H        ALA  22  -8.393   8.766  -3.968
  181    HA   ALA  22           HA       ALA  22 -10.483   6.864  -3.325
  182   1HB   ALA  22          1HB       ALA  22 -11.148   9.586  -4.463
  183   2HB   ALA  22          2HB       ALA  22 -11.601   8.990  -2.866
  184   3HB   ALA  22          3HB       ALA  22 -12.273   8.236  -4.311
  185    H    ASP  23           H        ASP  23  -8.989   9.019  -5.642
  186    HA   ASP  23           HA       ASP  23  -9.638   7.597  -7.998
  187   1HB   ASP  23          2HB       ASP  23  -7.436   9.561  -7.341
  188   2HB   ASP  23          1HB       ASP  23  -7.723   8.951  -8.960
  189    H    ILE  24           H        ILE  24  -6.531   7.870  -6.265
  190    HA   ILE  24           HA       ILE  24  -5.981   5.067  -6.663
  191    HB   ILE  24           HB       ILE  24  -3.545   5.960  -7.407
  192   1HG1  ILE  24          2HG1      ILE  24  -3.984   7.559  -9.345
  193   2HG1  ILE  24          1HG1      ILE  24  -5.561   7.866  -8.632
  194   1HG2  ILE  24          1HG2      ILE  24  -4.087   5.132  -9.618
  195   2HG2  ILE  24          2HG2      ILE  24  -5.811   5.328  -9.299
  196   3HG2  ILE  24          3HG2      ILE  24  -4.878   4.138  -8.390
  197   1HD1  ILE  24          1HD1      ILE  24  -2.908   8.392  -7.315
  198   2HD1  ILE  24          2HD1      ILE  24  -4.495   8.726  -6.624
  199   3HD1  ILE  24          3HD1      ILE  24  -3.956   9.600  -8.060
  200    H    GLU  25           H        GLU  25  -4.033   4.433  -5.513
  201    HA   GLU  25           HA       GLU  25  -3.288   4.069  -3.445
  202   1HB   GLU  25          2HB       GLU  25  -2.164   6.261  -3.766
  203   2HB   GLU  25          1HB       GLU  25  -3.533   7.028  -2.959
  204   1HG   GLU  25          2HG       GLU  25  -3.043   5.988  -0.905
  205   2HG   GLU  25          1HG       GLU  25  -1.954   4.826  -1.662
  206    H    LYS  26           H        LYS  26  -5.218   3.048  -3.458
  207    HA   LYS  26           HA       LYS  26  -6.572   3.496  -1.003
  208   1HB   LYS  26          2HB       LYS  26  -8.832   3.271  -1.838
  209   2HB   LYS  26          1HB       LYS  26  -8.084   4.646  -2.626
  210   1HG   LYS  26          2HG       LYS  26  -8.274   1.940  -3.916
  211   2HG   LYS  26          1HG       LYS  26  -9.535   3.164  -4.055
  212   1HD   LYS  26          2HD       LYS  26  -7.840   4.717  -4.996
  213   2HD   LYS  26          1HD       LYS  26  -6.670   3.394  -4.964
  214   1HE   LYS  26          2HE       LYS  26  -7.650   3.624  -7.179
  215   2HE   LYS  26          1HE       LYS  26  -8.108   2.087  -6.447
  216   1HZ   LYS  26          1HZ       LYS  26  -9.968   3.216  -7.560
  217   2HZ   LYS  26          2HZ       LYS  26  -9.823   4.513  -6.477
  218   3HZ   LYS  26          3HZ       LYS  26 -10.258   2.979  -5.905
  219    H    ALA  27           H        ALA  27  -6.252   1.641  -0.049
  220    HA   ALA  27           HA       ALA  27  -5.253  -0.554  -1.631
  221   1HB   ALA  27          1HB       ALA  27  -3.879  -0.664   0.065
  222   2HB   ALA  27          2HB       ALA  27  -5.202  -1.313   1.037
  223   3HB   ALA  27          3HB       ALA  27  -4.871   0.422   1.038
  224    H    SER  28           H        SER  28  -6.309  -2.231  -2.183
  225    HA   SER  28           HA       SER  28  -8.840  -2.869  -0.807
  226   1HB   SER  28          2HB       SER  28  -7.998  -2.969  -3.681
  227   2HB   SER  28          1HB       SER  28  -9.453  -3.775  -3.105
  228    HG   SER  28           HG       SER  28  -8.949  -1.019  -2.678
  229    H    ILE  29           H        ILE  29  -6.907  -4.218   0.362
  230    HA   ILE  29           HA       ILE  29  -8.002  -6.780  -0.120
  231    HB   ILE  29           HB       ILE  29  -5.986  -6.728  -1.711
  232   1HG1  ILE  29          2HG1      ILE  29  -6.140  -8.879   0.419
  233   2HG1  ILE  29          1HG1      ILE  29  -7.137  -8.791  -1.029
  234   1HG2  ILE  29          1HG2      ILE  29  -3.823  -7.227  -0.683
  235   2HG2  ILE  29          2HG2      ILE  29  -4.528  -6.963   0.912
  236   3HG2  ILE  29          3HG2      ILE  29  -4.418  -5.628  -0.237
  237   1HD1  ILE  29          1HD1      ILE  29  -5.130  -9.061  -2.407
  238   2HD1  ILE  29          2HD1      ILE  29  -5.379 -10.417  -1.307
  239   3HD1  ILE  29          3HD1      ILE  29  -4.159  -9.198  -0.941
  240    H    MET  30           H        MET  30  -7.612  -8.196   1.752
  241    HA   MET  30           HA       MET  30  -5.575  -7.260   3.578
  242   1HB   MET  30          2HB       MET  30  -7.067  -7.489   5.575
  243   2HB   MET  30          1HB       MET  30  -7.419  -6.111   4.537
  244   1HG   MET  30          2HG       MET  30  -9.292  -7.340   3.555
  245   2HG   MET  30          1HG       MET  30  -8.931  -8.717   4.594
  246   1HE   MET  30          1HE       MET  30  -9.093  -8.630   7.261
  247   2HE   MET  30          2HE       MET  30  -9.612  -7.202   8.159
  248   3HE   MET  30          3HE       MET  30  -8.078  -7.188   7.292
  249    H    TYR  31           H        TYR  31  -4.636  -9.063   2.587
  250    HA   TYR  31           HA       TYR  31  -5.094 -11.518   4.051
  251   1HB   TYR  31          2HB       TYR  31  -5.215 -11.447   1.023
  252   2HB   TYR  31          1HB       TYR  31  -5.074 -12.911   1.980
  253    HD1  TYR  31           1HD      TYR  31  -7.327 -10.656   0.434
  254    HD2  TYR  31           2HD      TYR  31  -6.960 -13.335   3.714
  255    HE1  TYR  31           1HE      TYR  31  -9.777 -10.777   0.601
  256    HE2  TYR  31           2HE      TYR  31  -9.408 -13.464   3.888
  257    HH   TYR  31           HH       TYR  31 -11.487 -12.430   1.493
  258    HA   PRO  32           HA       PRO  32  -0.694 -11.872   4.124
  259   1HB   PRO  32          2HB       PRO  32  -0.451 -14.554   3.430
  260   2HB   PRO  32          1HB       PRO  32  -0.760 -13.923   5.049
  261   1HG   PRO  32          2HG       PRO  32  -2.693 -14.970   3.021
  262   2HG   PRO  32          1HG       PRO  32  -2.649 -15.239   4.778
  263   1HD   PRO  32          2HD       PRO  32  -4.378 -13.503   3.752
  264   2HD   PRO  32          1HD       PRO  32  -3.494 -13.107   5.239
  265    H    SER  33           H        SER  33  -1.995 -11.412   1.276
  266    HA   SER  33           HA       SER  33  -1.448 -11.528  -0.927
  267   1HB   SER  33          2HB       SER  33   0.678 -10.487  -0.037
  268   2HB   SER  33          1HB       SER  33   1.373 -12.104   0.042
  269    HG   SER  33           HG       SER  33   1.962 -11.138  -1.897
  270    H    ASN  34           H        ASN  34  -1.884 -13.881   0.934
  271    HA   ASN  34           HA       ASN  34  -2.105 -16.124   0.906
  272   1HB   ASN  34          2HB       ASN  34  -2.019 -15.622  -2.076
  273   2HB   ASN  34          1HB       ASN  34  -2.436 -17.176  -1.360
  274   1HD2  ASN  34          1HD2      ASN  34  -4.498 -17.117  -2.262
  275   2HD2  ASN  34          2HD2      ASN  34  -5.744 -16.081  -1.653
  276    H    ASN  35           H        ASN  35   0.519 -15.201   1.342
  277    HA   ASN  35           HA       ASN  35   1.931 -17.648   0.623
  278   1HB   ASN  35          2HB       ASN  35   2.458 -16.041  -1.202
  279   2HB   ASN  35          1HB       ASN  35   3.040 -14.894  -0.005
  280   1HD2  ASN  35          1HD2      ASN  35   3.642 -17.993  -1.527
  281   2HD2  ASN  35          2HD2      ASN  35   5.328 -18.065  -1.137
  282    H    CYS  36           H        CYS  36   0.782 -16.120   3.001
  283    HA   CYS  36           HA       CYS  36   3.118 -16.142   4.712
  284   1HB   CYS  36          2HB       CYS  36   2.278 -13.779   3.368
  285   2HB   CYS  36          1HB       CYS  36   1.952 -13.580   5.089
  286    H    ASP  37           H        ASP  37   2.399 -14.885   6.869
  287    HA   ASP  37           HA       ASP  37  -0.294 -15.837   7.619
  288   1HB   ASP  37          2HB       ASP  37   0.511 -15.997   9.895
  289   2HB   ASP  37          1HB       ASP  37   1.611 -16.890   8.849
  290    H    LYS  38           H        LYS  38   1.302 -13.213   6.696
  291    HA   LYS  38           HA       LYS  38   0.340 -11.291   8.646
  292   1HB   LYS  38          2HB       LYS  38   1.443  -9.619   7.255
  293   2HB   LYS  38          1HB       LYS  38   2.545 -10.938   7.573
  294   1HG   LYS  38          2HG       LYS  38   2.200 -11.836   5.365
  295   2HG   LYS  38          1HG       LYS  38   0.931 -10.653   5.056
  296   1HD   LYS  38          2HD       LYS  38   3.818  -9.976   5.591
  297   2HD   LYS  38          1HD       LYS  38   3.092 -10.086   3.987
  298   1HE   LYS  38          2HE       LYS  38   1.444  -8.339   4.725
  299   2HE   LYS  38          1HE       LYS  38   2.410  -8.141   6.187
  300   1HZ   LYS  38          1HZ       LYS  38   4.327  -7.678   4.655
  301   2HZ   LYS  38          2HZ       LYS  38   3.117  -6.497   4.683
  302   3HZ   LYS  38          3HZ       LYS  38   3.210  -7.584   3.382
  303    H    ILE  39           H        ILE  39  -0.889  -9.392   7.737
  304    HA   ILE  39           HA       ILE  39  -2.513 -10.287   5.460
  305    HB   ILE  39           HB       ILE  39  -4.324  -8.788   6.194
  306   1HG1  ILE  39          2HG1      ILE  39  -2.757  -8.616   8.785
  307   2HG1  ILE  39          1HG1      ILE  39  -2.939  -7.293   7.640
  308   1HG2  ILE  39          1HG2      ILE  39  -3.517 -10.932   8.152
  309   2HG2  ILE  39          2HG2      ILE  39  -4.344 -11.186   6.613
  310   3HG2  ILE  39          3HG2      ILE  39  -5.151 -10.306   7.916
  311   1HD1  ILE  39          1HD1      ILE  39  -5.357  -7.322   8.006
  312   2HD1  ILE  39          2HD1      ILE  39  -4.460  -7.037   9.499
  313   3HD1  ILE  39          3HD1      ILE  39  -5.154  -8.625   9.174
  314    H    GLU  40           H        GLU  40  -1.888  -9.426   3.729
  315    HA   GLU  40           HA       GLU  40  -0.253  -7.030   3.710
  316   1HB   GLU  40          2HB       GLU  40   0.496  -9.106   2.607
  317   2HB   GLU  40          1HB       GLU  40  -0.928  -9.084   1.586
  318   1HG   GLU  40          2HG       GLU  40   1.002  -8.362   0.365
  319   2HG   GLU  40          1HG       GLU  40  -0.137  -7.026   0.540
  320    H    VAL  41           H        VAL  41  -0.634  -5.397   2.004
  321    HA   VAL  41           HA       VAL  41  -3.493  -5.130   1.374
  322    HB   VAL  41           HB       VAL  41  -2.004  -3.533   3.185
  323   1HG1  VAL  41          1HG1      VAL  41  -2.905  -1.965   0.770
  324   2HG1  VAL  41          2HG1      VAL  41  -1.235  -2.188   1.296
  325   3HG1  VAL  41          3HG1      VAL  41  -2.364  -1.280   2.303
  326   1HG2  VAL  41          1HG2      VAL  41  -4.157  -2.453   3.547
  327   2HG2  VAL  41          2HG2      VAL  41  -4.343  -4.204   3.412
  328   3HG2  VAL  41          3HG2      VAL  41  -4.770  -3.163   2.054
  329    H    ILE  42           H        ILE  42  -3.997  -4.219  -0.628
  330    HA   ILE  42           HA       ILE  42  -1.668  -3.801  -2.370
  331    HB   ILE  42           HB       ILE  42  -4.413  -4.808  -3.176
  332   1HG1  ILE  42          2HG1      ILE  42  -1.723  -6.217  -3.084
  333   2HG1  ILE  42          1HG1      ILE  42  -3.052  -6.485  -1.962
  334   1HG2  ILE  42          1HG2      ILE  42  -1.902  -4.263  -4.769
  335   2HG2  ILE  42          2HG2      ILE  42  -3.469  -3.470  -4.936
  336   3HG2  ILE  42          3HG2      ILE  42  -3.287  -5.166  -5.386
  337   1HD1  ILE  42          1HD1      ILE  42  -3.088  -7.055  -4.915
  338   2HD1  ILE  42          2HD1      ILE  42  -4.428  -7.317  -3.799
  339   3HD1  ILE  42          3HD1      ILE  42  -2.938  -8.245  -3.620
  340    H    ILE  43           H        ILE  43  -1.411  -1.703  -2.455
  341    HA   ILE  43           HA       ILE  43  -3.744  -0.030  -3.132
  342    HB   ILE  43           HB       ILE  43  -1.293   1.377  -2.372
  343   1HG1  ILE  43          2HG1      ILE  43  -2.843   0.079  -0.130
  344   2HG1  ILE  43          1HG1      ILE  43  -1.315  -0.561  -0.731
  345   1HG2  ILE  43          1HG2      ILE  43  -3.357   2.507  -2.836
  346   2HG2  ILE  43          2HG2      ILE  43  -2.890   2.765  -1.152
  347   3HG2  ILE  43          3HG2      ILE  43  -4.170   1.614  -1.546
  348   1HD1  ILE  43          1HD1      ILE  43  -0.239   1.597  -0.191
  349   2HD1  ILE  43          2HD1      ILE  43  -0.909   0.770   1.225
  350   3HD1  ILE  43          3HD1      ILE  43  -1.767   2.140   0.515
  351    H    THR  44           H        THR  44  -3.283   1.681  -4.556
  352    HA   THR  44           HA       THR  44  -0.853   1.363  -6.177
  353    HB   THR  44           HB       THR  44  -1.975   2.645  -7.901
  354    HG1  THR  44           1HG      THR  44  -3.499   3.844  -7.054
  355   1HG2  THR  44          1HG2      THR  44  -3.615   0.961  -8.647
  356   2HG2  THR  44          2HG2      THR  44  -3.603   0.253  -7.031
  357   3HG2  THR  44          3HG2      THR  44  -2.147   0.209  -8.025
  358    H    LEU  45           H        LEU  45   0.099   3.483  -6.799
  359    HA   LEU  45           HA       LEU  45  -1.329   5.774  -5.771
  360   1HB   LEU  45          2HB       LEU  45   0.613   6.923  -4.956
  361   2HB   LEU  45          1HB       LEU  45   0.532   5.372  -4.154
  362    HG   LEU  45           HG       LEU  45   2.286   5.750  -6.555
  363   1HD1  LEU  45          1HD1      LEU  45   2.973   6.391  -3.692
  364   2HD1  LEU  45          2HD1      LEU  45   2.873   7.541  -5.026
  365   3HD1  LEU  45          3HD1      LEU  45   4.125   6.298  -5.023
  366   1HD2  LEU  45          1HD2      LEU  45   2.460   3.945  -4.148
  367   2HD2  LEU  45          2HD2      LEU  45   3.569   3.958  -5.520
  368   3HD2  LEU  45          3HD2      LEU  45   1.887   3.476  -5.747
  369    H    LYS  46           H        LYS  46  -1.975   6.529  -7.744
  370    HA   LYS  46           HA       LYS  46  -0.154   6.107  -9.963
  371   1HB   LYS  46          2HB       LYS  46  -2.657   5.629 -10.074
  372   2HB   LYS  46          1HB       LYS  46  -2.861   7.368 -10.229
  373   1HG   LYS  46          2HG       LYS  46  -2.863   6.295 -12.405
  374   2HG   LYS  46          1HG       LYS  46  -1.458   7.352 -12.230
  375   1HD   LYS  46          2HD       LYS  46  -0.070   5.407 -11.681
  376   2HD   LYS  46          1HD       LYS  46  -1.473   4.354 -11.864
  377   1HE   LYS  46          2HE       LYS  46  -0.112   4.275 -13.862
  378   2HE   LYS  46          1HE       LYS  46  -1.660   5.041 -14.215
  379   1HZ   LYS  46          1HZ       LYS  46  -0.451   7.218 -13.868
  380   2HZ   LYS  46          2HZ       LYS  46  -0.052   6.352 -15.261
  381   3HZ   LYS  46          3HZ       LYS  46   0.994   6.332 -13.929
  382    H    GLU  47           H        GLU  47   1.229   7.637  -8.767
  383    HA   GLU  47           HA       GLU  47   0.796  10.414  -9.574
  384   1HB   GLU  47          2HB       GLU  47   1.581  10.029  -7.300
  385   2HB   GLU  47          1HB       GLU  47   2.913   9.049  -7.890
  386   1HG   GLU  47          2HG       GLU  47   3.869  11.040  -8.964
  387   2HG   GLU  47          1HG       GLU  47   2.546  12.003  -8.302
  388    H    ASN  48           H        ASN  48   3.858   8.708  -9.430
  389    HA   ASN  48           HA       ASN  48   3.928   8.500 -12.363
  390   1HB   ASN  48          2HB       ASN  48   6.252   9.113 -12.429
  391   2HB   ASN  48          1HB       ASN  48   5.413  10.366 -11.523
  392   1HD2  ASN  48          1HD2      ASN  48   8.230   9.500 -11.534
  393   2HD2  ASN  48          2HD2      ASN  48   8.606   9.142  -9.882
  394    H    LYS  49           H        LYS  49   3.462   6.875  -9.791
  395    HA   LYS  49           HA       LYS  49   5.329   4.671 -10.323
  396   1HB   LYS  49          2HB       LYS  49   3.855   5.299  -7.760
  397   2HB   LYS  49          1HB       LYS  49   5.020   4.003  -7.995
  398   1HG   LYS  49          2HG       LYS  49   6.808   5.543  -8.259
  399   2HG   LYS  49          1HG       LYS  49   5.694   6.902  -8.342
  400   1HD   LYS  49          2HD       LYS  49   5.018   6.422  -6.005
  401   2HD   LYS  49          1HD       LYS  49   6.260   5.171  -5.944
  402   1HE   LYS  49          2HE       LYS  49   7.060   7.246  -4.936
  403   2HE   LYS  49          1HE       LYS  49   7.981   6.849  -6.385
  404   1HZ   LYS  49          1HZ       LYS  49   6.588   8.447  -7.616
  405   2HZ   LYS  49          2HZ       LYS  49   7.475   9.179  -6.382
  406   3HZ   LYS  49          3HZ       LYS  49   5.819   8.889  -6.170
  407    H    GLY  50           H        GLY  50   3.836   2.730  -8.818
  408   1HA   GLY  50          2HA       GLY  50   1.378   2.563 -10.419
  409   2HA   GLY  50          1HA       GLY  50   2.568   1.280 -10.543
  410    H    GLN  51           H        GLN  51   3.296   1.048  -7.811
  411    HA   GLN  51           HA       GLN  51   0.749  -0.051  -6.832
  412   1HB   GLN  51          2HB       GLN  51   1.992  -2.130  -6.165
  413   2HB   GLN  51          1HB       GLN  51   1.713  -1.927  -7.886
  414   1HG   GLN  51          2HG       GLN  51   3.997  -1.231  -8.218
  415   2HG   GLN  51          1HG       GLN  51   4.281  -1.239  -6.478
  416   1HE2  GLN  51          1HE2      GLN  51   5.962  -2.711  -6.651
  417   2HE2  GLN  51          2HE2      GLN  51   5.681  -4.387  -6.996
  418    H    ARG  52           H        ARG  52   0.703  -0.803  -4.727
  419    HA   ARG  52           HA       ARG  52   2.657   0.298  -2.871
  420   1HB   ARG  52          2HB       ARG  52  -0.158   1.152  -3.232
  421   2HB   ARG  52          1HB       ARG  52   0.357   0.880  -1.579
  422   1HG   ARG  52          2HG       ARG  52   2.196   2.486  -3.114
  423   2HG   ARG  52          1HG       ARG  52   0.607   3.218  -2.948
  424   1HD   ARG  52          2HD       ARG  52   1.283   2.108  -0.451
  425   2HD   ARG  52          1HD       ARG  52   2.713   2.961  -1.023
  426    HE   ARG  52           HE       ARG  52   0.609   4.709  -1.404
  427   1HH1  ARG  52          1HH1      ARG  52   2.095   3.029   1.288
  428   2HH1  ARG  52          2HH1      ARG  52   1.692   4.253   2.446
  429   1HH2  ARG  52          1HH2      ARG  52   0.049   6.314   0.127
  430   2HH2  ARG  52          2HH2      ARG  52   0.525   6.117   1.787
  431    H    CYS  53           H        CYS  53   3.032  -2.142  -2.789
  432    HA   CYS  53           HA       CYS  53   1.145  -3.280  -0.866
  433   1HB   CYS  53          2HB       CYS  53   3.130  -5.168  -1.119
  434   2HB   CYS  53          1HB       CYS  53   1.626  -5.158  -2.032
  435    H    LEU  54           H        LEU  54   1.602  -3.131   1.300
  436    HA   LEU  54           HA       LEU  54   3.976  -1.442   1.715
  437   1HB   LEU  54          2HB       LEU  54   1.945  -0.157   1.494
  438   2HB   LEU  54          1HB       LEU  54   1.176  -1.101   2.754
  439    HG   LEU  54           HG       LEU  54   2.854  -0.206   4.367
  440   1HD1  LEU  54          1HD1      LEU  54   3.581   1.599   2.063
  441   2HD1  LEU  54          2HD1      LEU  54   4.613   0.364   2.784
  442   3HD1  LEU  54          3HD1      LEU  54   4.132   1.772   3.729
  443   1HD2  LEU  54          1HD2      LEU  54   0.608   0.730   4.162
  444   2HD2  LEU  54          2HD2      LEU  54   1.174   1.831   2.907
  445   3HD2  LEU  54          3HD2      LEU  54   1.789   1.979   4.554
  446    H    ASN  55           H        ASN  55   1.508  -2.685   3.973
  447    HA   ASN  55           HA       ASN  55   3.262  -2.131   6.085
  448   1HB   ASN  55          2HB       ASN  55   1.494  -3.236   7.508
  449   2HB   ASN  55          1HB       ASN  55   0.963  -1.893   6.510
  450   1HD2  ASN  55          1HD2      ASN  55   0.699  -5.278   7.137
  451   2HD2  ASN  55          2HD2      ASN  55  -0.584  -5.599   6.011
  452    HA   PRO  56           HA       PRO  56   5.130  -6.168   6.672
  453   1HB   PRO  56          2HB       PRO  56   7.499  -5.030   7.586
  454   2HB   PRO  56          1HB       PRO  56   7.195  -5.549   5.927
  455   1HG   PRO  56          2HG       PRO  56   7.571  -2.888   6.880
  456   2HG   PRO  56          1HG       PRO  56   7.193  -3.403   5.230
  457   1HD   PRO  56          2HD       PRO  56   5.406  -2.323   7.328
  458   2HD   PRO  56          1HD       PRO  56   5.219  -2.308   5.561
  459    H    LYS  57           H        LYS  57   4.855  -3.281   8.543
  460    HA   LYS  57           HA       LYS  57   4.317  -4.750  10.986
  461   1HB   LYS  57          2HB       LYS  57   6.605  -2.833  10.636
  462   2HB   LYS  57          1HB       LYS  57   5.795  -2.962  12.187
  463   1HG   LYS  57          2HG       LYS  57   7.060  -5.281  10.746
  464   2HG   LYS  57          1HG       LYS  57   7.865  -4.317  11.987
  465   1HD   LYS  57          2HD       LYS  57   5.849  -4.889  13.463
  466   2HD   LYS  57          1HD       LYS  57   5.490  -6.134  12.262
  467   1HE   LYS  57          2HE       LYS  57   6.797  -7.045  14.113
  468   2HE   LYS  57          1HE       LYS  57   7.707  -7.103  12.602
  469   1HZ   LYS  57          1HZ       LYS  57   8.932  -5.163  13.259
  470   2HZ   LYS  57          2HZ       LYS  57   9.041  -6.312  14.498
  471   3HZ   LYS  57          3HZ       LYS  57   8.000  -4.986  14.667
  472    H    SER  58           H        SER  58   5.115  -1.394  10.161
  473    HA   SER  58           HA       SER  58   2.719  -0.391  11.377
  474   1HB   SER  58          2HB       SER  58   3.602   1.809  10.401
  475   2HB   SER  58          1HB       SER  58   4.628   1.004  11.589
  476    HG   SER  58           HG       SER  58   6.088   1.206  10.081
  477    H    LYS  59           H        LYS  59   1.047   0.769  10.263
  478    HA   LYS  59           HA       LYS  59   0.827   0.169   7.412
  479   1HB   LYS  59          2HB       LYS  59  -1.506  -0.726   7.812
  480   2HB   LYS  59          1HB       LYS  59  -0.185  -1.772   8.317
  481   1HG   LYS  59          2HG       LYS  59  -0.500  -0.990  10.638
  482   2HG   LYS  59          1HG       LYS  59  -1.880  -0.031  10.099
  483   1HD   LYS  59          2HD       LYS  59  -2.651  -2.119  11.057
  484   2HD   LYS  59          1HD       LYS  59  -2.981  -2.097   9.324
  485   1HE   LYS  59          2HE       LYS  59  -1.088  -3.517   8.894
  486   2HE   LYS  59          1HE       LYS  59  -0.589  -3.434  10.584
  487   1HZ   LYS  59          1HZ       LYS  59  -2.609  -4.585  11.211
  488   2HZ   LYS  59          2HZ       LYS  59  -1.746  -5.506  10.083
  489   3HZ   LYS  59          3HZ       LYS  59  -3.123  -4.638   9.598
  490    H    GLN  60           H        GLN  60   0.730   2.261   6.756
  491    HA   GLN  60           HA       GLN  60  -1.076   4.157   7.940
  492   1HB   GLN  60          2HB       GLN  60   0.272   4.219   5.230
  493   2HB   GLN  60          1HB       GLN  60  -0.580   5.563   5.974
  494   1HG   GLN  60          2HG       GLN  60   1.663   6.030   6.347
  495   2HG   GLN  60          1HG       GLN  60   1.106   5.360   7.879
  496   1HE2  GLN  60          1HE2      GLN  60   3.132   4.694   8.523
  497   2HE2  GLN  60          2HE2      GLN  60   3.981   3.386   7.757
  498    H    ALA  61           H        ALA  61  -1.368   1.517   5.889
  499    HA   ALA  61           HA       ALA  61  -3.515   2.320   4.235
  500   1HB   ALA  61          1HB       ALA  61  -2.759  -0.455   5.135
  501   2HB   ALA  61          2HB       ALA  61  -2.103   0.388   3.732
  502   3HB   ALA  61          3HB       ALA  61  -3.810  -0.047   3.779
  503    H    ARG  62           H        ARG  62  -3.306   1.578   7.529
  504    HA   ARG  62           HA       ARG  62  -5.865   0.600   8.103
  505   1HB   ARG  62          2HB       ARG  62  -4.043   0.670   9.744
  506   2HB   ARG  62          1HB       ARG  62  -4.071   2.426   9.717
  507   1HG   ARG  62          2HG       ARG  62  -6.360   2.373  10.637
  508   2HG   ARG  62          1HG       ARG  62  -6.247   0.613  10.744
  509   1HD   ARG  62          2HD       ARG  62  -4.309   0.837  12.230
  510   2HD   ARG  62          1HD       ARG  62  -4.440   2.592  12.130
  511    HE   ARG  62           HE       ARG  62  -6.899   1.697  13.004
  512   1HH1  ARG  62          1HH1      ARG  62  -3.584   1.643  14.130
  513   2HH1  ARG  62          2HH1      ARG  62  -4.024   1.489  15.805
  514   1HH2  ARG  62          1HH2      ARG  62  -7.480   1.586  15.208
  515   2HH2  ARG  62          2HH2      ARG  62  -6.232   1.516  16.422
  516    H    LEU  63           H        LEU  63  -4.622   3.822   7.540
  517    HA   LEU  63           HA       LEU  63  -7.187   5.068   8.049
  518   1HB   LEU  63          2HB       LEU  63  -4.551   6.204   7.119
  519   2HB   LEU  63          1HB       LEU  63  -5.992   7.165   7.387
  520    HG   LEU  63           HG       LEU  63  -5.908   6.290   9.802
  521   1HD1  LEU  63          1HD1      LEU  63  -3.066   5.696   8.989
  522   2HD1  LEU  63          2HD1      LEU  63  -4.284   4.492   9.412
  523   3HD1  LEU  63          3HD1      LEU  63  -3.718   5.640  10.627
  524   1HD2  LEU  63          1HD2      LEU  63  -4.357   8.043  10.456
  525   2HD2  LEU  63          2HD2      LEU  63  -5.400   8.589   9.142
  526   3HD2  LEU  63          3HD2      LEU  63  -3.733   8.122   8.807
  527    H    ILE  64           H        ILE  64  -5.588   3.594   5.504
  528    HA   ILE  64           HA       ILE  64  -6.835   5.221   3.470
  529    HB   ILE  64           HB       ILE  64  -5.075   2.779   3.140
  530   1HG1  ILE  64          2HG1      ILE  64  -4.422   5.727   2.898
  531   2HG1  ILE  64          1HG1      ILE  64  -3.914   4.672   4.212
  532   1HG2  ILE  64          1HG2      ILE  64  -6.477   3.111   1.192
  533   2HG2  ILE  64          2HG2      ILE  64  -4.814   3.566   0.814
  534   3HG2  ILE  64          3HG2      ILE  64  -6.021   4.814   1.125
  535   1HD1  ILE  64          1HD1      ILE  64  -2.117   5.061   2.621
  536   2HD1  ILE  64          2HD1      ILE  64  -3.109   4.395   1.325
  537   3HD1  ILE  64          3HD1      ILE  64  -2.582   3.360   2.652
  538    H    ILE  65           H        ILE  65  -7.409   2.241   5.114
  539    HA   ILE  65           HA       ILE  65  -9.056   0.916   3.267
  540    HB   ILE  65           HB       ILE  65  -9.024   0.932   6.278
  541   1HG1  ILE  65          2HG1      ILE  65  -7.145  -0.171   5.160
  542   2HG1  ILE  65          1HG1      ILE  65  -8.152  -1.351   5.992
  543   1HG2  ILE  65          1HG2      ILE  65 -10.619  -0.906   6.277
  544   2HG2  ILE  65          2HG2      ILE  65 -10.781  -0.779   4.524
  545   3HG2  ILE  65          3HG2      ILE  65 -11.326   0.542   5.557
  546   1HD1  ILE  65          1HD1      ILE  65  -7.413  -2.140   3.805
  547   2HD1  ILE  65          2HD1      ILE  65  -8.218  -0.770   3.040
  548   3HD1  ILE  65          3HD1      ILE  65  -9.169  -1.992   3.885
  549    H    LYS  66           H        LYS  66  -9.862   3.289   5.757
  550    HA   LYS  66           HA       LYS  66 -12.607   3.362   4.980
  551   1HB   LYS  66          2HB       LYS  66 -12.738   5.316   6.524
  552   2HB   LYS  66          1HB       LYS  66 -12.037   3.885   7.268
  553   1HG   LYS  66          2HG       LYS  66  -9.777   4.866   6.792
  554   2HG   LYS  66          1HG       LYS  66 -10.602   6.349   6.309
  555   1HD   LYS  66          2HD       LYS  66 -11.647   6.459   8.541
  556   2HD   LYS  66          1HD       LYS  66 -10.739   5.020   9.014
  557   1HE   LYS  66          2HE       LYS  66  -9.544   6.900   9.840
  558   2HE   LYS  66          1HE       LYS  66  -8.644   6.282   8.456
  559   1HZ   LYS  66          1HZ       LYS  66  -8.761   8.660   8.333
  560   2HZ   LYS  66          2HZ       LYS  66 -10.448   8.641   8.490
  561   3HZ   LYS  66          3HZ       LYS  66  -9.724   8.017   7.092
  562    H    LYS  67           H        LYS  67  -9.953   4.319   3.431
  563    HA   LYS  67           HA       LYS  67 -11.109   6.732   2.262
  564   1HB   LYS  67          2HB       LYS  67  -8.403   5.448   1.840
  565   2HB   LYS  67          1HB       LYS  67  -8.969   6.856   0.957
  566   1HG   LYS  67          2HG       LYS  67  -8.662   6.756   3.946
  567   2HG   LYS  67          1HG       LYS  67  -7.433   7.368   2.839
  568   1HD   LYS  67          2HD       LYS  67  -9.081   9.030   2.015
  569   2HD   LYS  67          1HD       LYS  67 -10.219   8.453   3.234
  570   1HE   LYS  67          2HE       LYS  67  -8.692   9.087   5.006
  571   2HE   LYS  67          1HE       LYS  67  -7.485   9.585   3.822
  572   1HZ   LYS  67          1HZ       LYS  67  -8.748  11.451   4.770
  573   2HZ   LYS  67          2HZ       LYS  67 -10.174  10.814   4.106
  574   3HZ   LYS  67          3HZ       LYS  67  -8.929  11.341   3.089
  575    H    VAL  68           H        VAL  68  -9.900   3.535   1.416
  576    HA   VAL  68           HA       VAL  68 -10.714   3.466  -1.266
  577    HB   VAL  68           HB       VAL  68 -10.930   1.009   0.445
  578   1HG1  VAL  68          1HG1      VAL  68 -11.427   0.836  -1.922
  579   2HG1  VAL  68          2HG1      VAL  68  -9.974  -0.074  -1.509
  580   3HG1  VAL  68          3HG1      VAL  68  -9.836   1.489  -2.314
  581   1HG2  VAL  68          1HG2      VAL  68  -8.351   2.330  -0.340
  582   2HG2  VAL  68          2HG2      VAL  68  -8.501   0.682   0.265
  583   3HG2  VAL  68          3HG2      VAL  68  -8.944   2.042   1.296
  584    H    GLU  69           H        GLU  69 -12.359   2.985   1.763
  585    HA   GLU  69           HA       GLU  69 -14.649   1.738   0.566
  586   1HB   GLU  69          2HB       GLU  69 -13.712   1.484   2.987
  587   2HB   GLU  69          1HB       GLU  69 -14.702   2.901   3.318
  588   1HG   GLU  69          2HG       GLU  69 -16.685   1.760   2.628
  589   2HG   GLU  69          1HG       GLU  69 -15.743   0.382   2.065
  590    H    ARG  70           H        ARG  70 -13.602   4.805   0.447
  591    HA   ARG  70           HA       ARG  70 -16.019   6.279   0.931
  592   1HB   ARG  70          2HB       ARG  70 -13.400   6.960  -0.391
  593   2HB   ARG  70          1HB       ARG  70 -14.718   8.109  -0.303
  594   1HG   ARG  70          2HG       ARG  70 -14.643   8.077   2.102
  595   2HG   ARG  70          1HG       ARG  70 -13.390   6.827   2.065
  596   1HD   ARG  70          2HD       ARG  70 -12.289   8.916   2.385
  597   2HD   ARG  70          1HD       ARG  70 -11.997   8.391   0.728
  598    HE   ARG  70           HE       ARG  70 -14.146  10.314   1.262
  599   1HH1  ARG  70          1HH1      ARG  70 -11.106   9.493  -0.286
  600   2HH1  ARG  70          2HH1      ARG  70 -11.024  10.973  -1.193
  601   1HH2  ARG  70          1HH2      ARG  70 -14.035  12.256   0.071
  602   2HH2  ARG  70          2HH2      ARG  70 -12.682  12.545  -0.978
  603    H    LYS  71           H        LYS  71 -14.970   4.283  -1.582
  604    HA   LYS  71           HA       LYS  71 -17.016   5.430  -3.341
  605   1HB   LYS  71          2HB       LYS  71 -14.658   6.131  -4.025
  606   2HB   LYS  71          1HB       LYS  71 -14.372   4.439  -4.408
  607   1HG   LYS  71          2HG       LYS  71 -16.194   4.488  -6.030
  608   2HG   LYS  71          1HG       LYS  71 -16.497   6.182  -5.643
  609   1HD   LYS  71          2HD       LYS  71 -14.148   6.675  -6.356
  610   2HD   LYS  71          1HD       LYS  71 -14.032   5.003  -6.913
  611   1HE   LYS  71          2HE       LYS  71 -16.054   7.029  -7.869
  612   2HE   LYS  71          1HE       LYS  71 -14.595   6.555  -8.736
  613   1HZ   LYS  71          1HZ       LYS  71 -16.692   5.438  -9.459
  614   2HZ   LYS  71          2HZ       LYS  71 -16.714   4.624  -7.971
  615   3HZ   LYS  71          3HZ       LYS  71 -15.430   4.387  -9.053
  616    H    ASN  72           H        ASN  72 -17.553   3.883  -5.139
  617    HA   ASN  72           HA       ASN  72 -18.124   1.299  -4.018
  618   1HB   ASN  72          2HB       ASN  72 -19.416   0.949  -6.048
  619   2HB   ASN  72          1HB       ASN  72 -19.744   2.564  -5.423
  620   1HD2  ASN  72          1HD2      ASN  72 -18.582   0.722  -8.046
  621   2HD2  ASN  72          2HD2      ASN  72 -18.184   2.044  -9.095
  622    H    PHE  73           H        PHE  73 -17.451  -0.698  -4.834
  623    HA   PHE  73           HA       PHE  73 -15.307  -0.655  -6.845
  624   1HB   PHE  73          2HB       PHE  73 -14.366  -1.007  -4.561
  625   2HB   PHE  73          1HB       PHE  73 -15.390  -2.427  -4.386
  626    HD1  PHE  73           1HD      PHE  73 -12.672  -0.992  -6.471
  627    HD2  PHE  73           2HD      PHE  73 -14.646  -4.513  -5.112
  628    HE1  PHE  73           1HE      PHE  73 -10.922  -2.370  -7.510
  629    HE2  PHE  73           2HE      PHE  73 -12.894  -5.897  -6.151
  630    HZ   PHE  73           HZ       PHE  73 -11.033  -4.823  -7.352
  Start of MODEL    3
    1   1H    PHE   1          1HT       PHE   1  23.504 -24.515  -6.902
    2   2H    PHE   1          2HT       PHE   1  22.276 -25.463  -7.591
    3   3H    PHE   1          3HT       PHE   1  23.482 -26.194  -6.650
    4    HA   PHE   1           HA       PHE   1  21.481 -26.043  -5.370
    5   1HB   PHE   1          2HB       PHE   1  23.438 -23.906  -4.478
    6   2HB   PHE   1          1HB       PHE   1  22.331 -24.803  -3.449
    7    HD1  PHE   1           1HD      PHE   1  25.517 -24.850  -5.202
    8    HD2  PHE   1           2HD      PHE   1  22.763 -27.149  -2.915
    9    HE1  PHE   1           1HE      PHE   1  27.265 -26.536  -4.797
   10    HE2  PHE   1           2HE      PHE   1  24.505 -28.837  -2.504
   11    HZ   PHE   1           HZ       PHE   1  26.759 -28.531  -3.449
   12    HA   PRO   2           HA       PRO   2  18.661 -22.688  -6.210
   13   1HB   PRO   2          2HB       PRO   2  17.450 -22.539  -3.733
   14   2HB   PRO   2          1HB       PRO   2  17.003 -23.685  -4.999
   15   1HG   PRO   2          2HG       PRO   2  18.737 -24.093  -2.601
   16   2HG   PRO   2          1HG       PRO   2  17.538 -25.184  -3.320
   17   1HD   PRO   2          2HD       PRO   2  20.172 -25.532  -3.705
   18   2HD   PRO   2          1HD       PRO   2  18.986 -25.888  -4.978
   19    H    MET   3           H        MET   3  19.064 -20.567  -6.230
   20    HA   MET   3           HA       MET   3  20.939 -19.528  -4.246
   21   1HB   MET   3          2HB       MET   3  21.252 -17.644  -5.768
   22   2HB   MET   3          1HB       MET   3  21.497 -19.172  -6.600
   23   1HG   MET   3          2HG       MET   3  19.206 -18.998  -7.508
   24   2HG   MET   3          1HG       MET   3  19.064 -17.411  -6.751
   25   1HE   MET   3          1HE       MET   3  20.571 -15.294  -7.447
   26   2HE   MET   3          2HE       MET   3  21.868 -15.393  -8.639
   27   3HE   MET   3          3HE       MET   3  22.002 -16.266  -7.112
   28    H    PHE   4           H        PHE   4  17.634 -19.341  -5.181
   29    HA   PHE   4           HA       PHE   4  17.155 -16.965  -3.571
   30   1HB   PHE   4          2HB       PHE   4  15.318 -18.744  -5.182
   31   2HB   PHE   4          1HB       PHE   4  14.738 -17.405  -4.195
   32    HD1  PHE   4           1HD      PHE   4  15.475 -15.086  -4.736
   33    HD2  PHE   4           2HD      PHE   4  16.229 -18.374  -7.328
   34    HE1  PHE   4           1HE      PHE   4  15.888 -13.525  -6.591
   35    HE2  PHE   4           2HE      PHE   4  16.643 -16.819  -9.189
   36    HZ   PHE   4           HZ       PHE   4  16.472 -14.388  -8.820
   37    H    LYS   5           H        LYS   5  16.825 -17.063  -1.481
   38    HA   LYS   5           HA       LYS   5  16.575 -19.657  -0.207
   39   1HB   LYS   5          2HB       LYS   5  18.205 -18.205   0.748
   40   2HB   LYS   5          1HB       LYS   5  17.067 -16.869   0.836
   41   1HG   LYS   5          2HG       LYS   5  17.503 -17.829   3.029
   42   2HG   LYS   5          1HG       LYS   5  15.813 -18.020   2.565
   43   1HD   LYS   5          2HD       LYS   5  16.285 -20.339   1.882
   44   2HD   LYS   5          1HD       LYS   5  17.958 -20.135   2.411
   45   1HE   LYS   5          2HE       LYS   5  17.229 -19.754   4.688
   46   2HE   LYS   5          1HE       LYS   5  15.539 -19.826   4.187
   47   1HZ   LYS   5          1HZ       LYS   5  15.809 -22.127   3.601
   48   2HZ   LYS   5          2HZ       LYS   5  16.330 -21.904   5.198
   49   3HZ   LYS   5          3HZ       LYS   5  17.470 -22.068   3.949
   50    H    ARG   6           H        ARG   6  14.826 -16.555  -0.113
   51    HA   ARG   6           HA       ARG   6  12.326 -17.911   0.306
   52   1HB   ARG   6          2HB       ARG   6  13.306 -17.944   2.571
   53   2HB   ARG   6          1HB       ARG   6  13.487 -16.199   2.512
   54   1HG   ARG   6          2HG       ARG   6  11.161 -15.849   2.609
   55   2HG   ARG   6          1HG       ARG   6  10.815 -17.546   2.260
   56   1HD   ARG   6          2HD       ARG   6  12.253 -16.583   4.730
   57   2HD   ARG   6          1HD       ARG   6  10.519 -16.907   4.659
   58    HE   ARG   6           HE       ARG   6  11.327 -19.239   3.882
   59   1HH1  ARG   6          1HH1      ARG   6  12.960 -17.228   6.249
   60   2HH1  ARG   6          2HH1      ARG   6  13.591 -18.580   7.144
   61   1HH2  ARG   6          1HH2      ARG   6  12.144 -21.008   5.066
   62   2HH2  ARG   6          2HH2      ARG   6  13.118 -20.726   6.479
   63    H    GLY   7           H        GLY   7  10.652 -16.696  -0.384
   64   1HA   GLY   7          2HA       GLY   7  10.419 -13.924  -0.306
   65   2HA   GLY   7          1HA       GLY   7  11.203 -14.318  -1.830
   66    H    ARG   8           H        ARG   8   8.271 -14.003  -0.221
   67    HA   ARG   8           HA       ARG   8   6.819 -14.698  -2.616
   68   1HB   ARG   8          2HB       ARG   8   6.867 -16.864  -1.472
   69   2HB   ARG   8          1HB       ARG   8   6.237 -16.122  -0.006
   70   1HG   ARG   8          2HG       ARG   8   4.159 -15.577  -1.162
   71   2HG   ARG   8          1HG       ARG   8   4.793 -16.293  -2.644
   72   1HD   ARG   8          2HD       ARG   8   4.910 -18.467  -1.582
   73   2HD   ARG   8          1HD       ARG   8   4.384 -17.775  -0.049
   74    HE   ARG   8           HE       ARG   8   2.368 -17.122  -1.742
   75   1HH1  ARG   8          1HH1      ARG   8   4.001 -20.136  -1.032
   76   2HH1  ARG   8          2HH1      ARG   8   2.587 -21.117  -1.261
   77   1HH2  ARG   8          1HH2      ARG   8   0.489 -18.409  -2.052
   78   2HH2  ARG   8          2HH2      ARG   8   0.588 -20.134  -1.826
   79    H    CYS   9           H        CYS   9   6.373 -13.995   0.848
   80    HA   CYS   9           HA       CYS   9   4.541 -11.833   0.059
   81   1HB   CYS   9          2HB       CYS   9   4.527 -13.276   2.714
   82   2HB   CYS   9          1HB       CYS   9   3.331 -12.135   2.106
   83    H    LEU  10           H        LEU  10   6.193 -10.306  -0.089
   84    HA   LEU  10           HA       LEU  10   6.874  -9.206   2.513
   85   1HB   LEU  10          2HB       LEU  10   8.876 -10.473   1.885
   86   2HB   LEU  10          1HB       LEU  10   8.940  -9.624   0.351
   87    HG   LEU  10           HG       LEU  10   9.293  -7.491   1.572
   88   1HD1  LEU  10          1HD1      LEU  10   9.450  -9.286   3.993
   89   2HD1  LEU  10          2HD1      LEU  10   8.212  -8.073   3.665
   90   3HD1  LEU  10          3HD1      LEU  10   9.881  -7.576   3.950
   91   1HD2  LEU  10          1HD2      LEU  10  11.282  -9.663   2.250
   92   2HD2  LEU  10          2HD2      LEU  10  11.604  -7.930   2.201
   93   3HD2  LEU  10          3HD2      LEU  10  11.193  -8.792   0.718
   94    H    CYS  11           H        CYS  11   5.398  -7.625   2.129
   95    HA   CYS  11           HA       CYS  11   5.836  -5.883  -0.166
   96   1HB   CYS  11          2HB       CYS  11   3.636  -5.995   1.906
   97   2HB   CYS  11          1HB       CYS  11   3.734  -4.772   0.641
   98    H    ILE  12           H        ILE  12   6.193  -3.630   0.152
   99    HA   ILE  12           HA       ILE  12   6.982  -2.745   2.790
  100    HB   ILE  12           HB       ILE  12   8.930  -4.030   1.885
  101   1HG1  ILE  12          2HG1      ILE  12  10.623  -2.221   2.294
  102   2HG1  ILE  12          1HG1      ILE  12   9.304  -1.055   2.296
  103   1HG2  ILE  12          1HG2      ILE  12   8.647  -3.539  -0.477
  104   2HG2  ILE  12          2HG2      ILE  12  10.256  -3.061   0.064
  105   3HG2  ILE  12          3HG2      ILE  12   9.010  -1.837  -0.189
  106   1HD1  ILE  12          1HD1      ILE  12   9.968  -1.665   4.553
  107   2HD1  ILE  12          2HD1      ILE  12   9.615  -3.357   4.206
  108   3HD1  ILE  12          3HD1      ILE  12   8.312  -2.168   4.214
  109    H    GLY  13           H        GLY  13   7.490  -0.400   2.767
  110   1HA   GLY  13          2HA       GLY  13   5.587   0.971   1.191
  111   2HA   GLY  13          1HA       GLY  13   6.790   1.732   2.193
  112    HA   PRO  14           HA       PRO  14   8.307   1.529  -2.307
  113   1HB   PRO  14          2HB       PRO  14   6.340   1.167  -4.137
  114   2HB   PRO  14          1HB       PRO  14   7.043  -0.182  -3.231
  115   1HG   PRO  14          2HG       PRO  14   4.405   1.058  -2.983
  116   2HG   PRO  14          1HG       PRO  14   4.944  -0.527  -2.431
  117   1HD   PRO  14          2HD       PRO  14   4.677   1.938  -0.908
  118   2HD   PRO  14          1HD       PRO  14   5.044   0.303  -0.334
  119    H    GLY  15           H        GLY  15   6.780   3.764  -0.819
  120   1HA   GLY  15          2HA       GLY  15   7.270   5.893  -2.467
  121   2HA   GLY  15          1HA       GLY  15   5.655   5.370  -2.913
  122    H    VAL  16           H        VAL  16   4.328   4.866  -0.701
  123    HA   VAL  16           HA       VAL  16   3.107   5.876   0.921
  124    HB   VAL  16           HB       VAL  16   5.459   7.512   1.818
  125   1HG1  VAL  16          1HG1      VAL  16   3.498   5.856   3.397
  126   2HG1  VAL  16          2HG1      VAL  16   3.230   7.546   2.983
  127   3HG1  VAL  16          3HG1      VAL  16   4.595   7.096   4.006
  128   1HG2  VAL  16          1HG2      VAL  16   6.436   5.338   1.267
  129   2HG2  VAL  16          2HG2      VAL  16   5.209   4.532   2.243
  130   3HG2  VAL  16          3HG2      VAL  16   6.394   5.588   3.012
  131    H    LYS  17           H        LYS  17   3.962   8.736   1.833
  132    HA   LYS  17           HA       LYS  17   3.525  10.885   1.344
  133   1HB   LYS  17          2HB       LYS  17   5.003  10.672  -0.545
  134   2HB   LYS  17          1HB       LYS  17   3.727   9.955  -1.518
  135   1HG   LYS  17          2HG       LYS  17   2.570  11.991  -1.689
  136   2HG   LYS  17          1HG       LYS  17   3.510  12.725  -0.389
  137   1HD   LYS  17          2HD       LYS  17   4.712  11.830  -3.003
  138   2HD   LYS  17          1HD       LYS  17   4.117  13.468  -2.721
  139   1HE   LYS  17          2HE       LYS  17   5.680  13.704  -0.843
  140   2HE   LYS  17          1HE       LYS  17   6.277  12.071  -1.140
  141   1HZ   LYS  17          1HZ       LYS  17   7.664  13.905  -2.077
  142   2HZ   LYS  17          2HZ       LYS  17   6.401  14.240  -3.163
  143   3HZ   LYS  17          3HZ       LYS  17   7.182  12.740  -3.213
  144    H    ALA  18           H        ALA  18   1.601   8.685  -0.665
  145    HA   ALA  18           HA       ALA  18  -0.637   8.371  -0.832
  146   1HB   ALA  18          1HB       ALA  18  -0.779   8.817   1.580
  147   2HB   ALA  18          2HB       ALA  18  -2.199   9.389   0.706
  148   3HB   ALA  18          3HB       ALA  18  -0.971  10.537   1.239
  149    H    VAL  19           H        VAL  19  -2.010   8.974  -2.360
  150    HA   VAL  19           HA       VAL  19  -1.781  11.709  -3.431
  151    HB   VAL  19           HB       VAL  19  -2.498  10.705  -5.611
  152   1HG1  VAL  19          1HG1      VAL  19   0.053   9.632  -4.415
  153   2HG1  VAL  19          2HG1      VAL  19  -0.162  11.222  -5.147
  154   3HG1  VAL  19          3HG1      VAL  19  -0.301   9.769  -6.137
  155   1HG2  VAL  19          1HG2      VAL  19  -2.242   8.286  -5.912
  156   2HG2  VAL  19          2HG2      VAL  19  -3.527   8.660  -4.764
  157   3HG2  VAL  19          3HG2      VAL  19  -1.960   8.103  -4.180
  158    H    LYS  20           H        LYS  20  -4.099  10.901  -5.266
  159    HA   LYS  20           HA       LYS  20  -6.158  12.055  -3.662
  160   1HB   LYS  20          2HB       LYS  20  -6.050  12.392  -6.096
  161   2HB   LYS  20          1HB       LYS  20  -6.321  10.674  -6.344
  162   1HG   LYS  20          2HG       LYS  20  -8.346  11.958  -6.744
  163   2HG   LYS  20          1HG       LYS  20  -8.544  10.860  -5.379
  164   1HD   LYS  20          2HD       LYS  20  -9.528  13.033  -4.892
  165   2HD   LYS  20          1HD       LYS  20  -8.156  12.715  -3.829
  166   1HE   LYS  20          2HE       LYS  20  -6.740  14.123  -5.222
  167   2HE   LYS  20          1HE       LYS  20  -8.088  14.414  -6.321
  168   1HZ   LYS  20          1HZ       LYS  20  -8.084  15.158  -3.447
  169   2HZ   LYS  20          2HZ       LYS  20  -9.260  15.557  -4.599
  170   3HZ   LYS  20          3HZ       LYS  20  -7.707  16.225  -4.709
  171    H    VAL  21           H        VAL  21  -6.763  10.846  -1.943
  172    HA   VAL  21           HA       VAL  21  -6.843   8.020  -1.925
  173    HB   VAL  21           HB       VAL  21  -7.989   8.327   0.321
  174   1HG1  VAL  21          1HG1      VAL  21  -5.343   9.687  -0.173
  175   2HG1  VAL  21          2HG1      VAL  21  -5.599   7.965   0.106
  176   3HG1  VAL  21          3HG1      VAL  21  -5.929   9.124   1.392
  177   1HG2  VAL  21          1HG2      VAL  21  -8.991  10.525  -0.093
  178   2HG2  VAL  21          2HG2      VAL  21  -7.383  11.235  -0.247
  179   3HG2  VAL  21          3HG2      VAL  21  -7.909  10.574   1.300
  180    H    ALA  22           H        ALA  22  -8.215   8.098  -3.903
  181    HA   ALA  22           HA       ALA  22 -10.619   6.787  -3.329
  182   1HB   ALA  22          1HB       ALA  22 -11.002   9.539  -4.507
  183   2HB   ALA  22          2HB       ALA  22 -11.499   9.039  -2.891
  184   3HB   ALA  22          3HB       ALA  22 -12.255   8.315  -4.311
  185    H    ASP  23           H        ASP  23  -8.645   8.580  -5.562
  186    HA   ASP  23           HA       ASP  23  -9.615   7.109  -7.874
  187   1HB   ASP  23          2HB       ASP  23  -8.625   9.634  -7.585
  188   2HB   ASP  23          1HB       ASP  23  -7.180   8.771  -8.096
  189    H    ILE  24           H        ILE  24  -6.534   7.648  -6.230
  190    HA   ILE  24           HA       ILE  24  -5.789   4.866  -6.572
  191    HB   ILE  24           HB       ILE  24  -3.387   5.687  -7.124
  192   1HG1  ILE  24          2HG1      ILE  24  -4.277   8.162  -6.964
  193   2HG1  ILE  24          1HG1      ILE  24  -3.046   7.726  -8.141
  194   1HG2  ILE  24          1HG2      ILE  24  -3.836   5.430  -9.520
  195   2HG2  ILE  24          2HG2      ILE  24  -5.561   5.636  -9.215
  196   3HG2  ILE  24          3HG2      ILE  24  -4.708   4.246  -8.542
  197   1HD1  ILE  24          1HD1      ILE  24  -4.718   7.642  -9.890
  198   2HD1  ILE  24          2HD1      ILE  24  -4.761   9.203  -9.066
  199   3HD1  ILE  24          3HD1      ILE  24  -5.987   7.984  -8.715
  200    H    GLU  25           H        GLU  25  -3.595   4.609  -5.345
  201    HA   GLU  25           HA       GLU  25  -3.086   4.163  -3.188
  202   1HB   GLU  25          2HB       GLU  25  -2.268   6.513  -3.351
  203   2HB   GLU  25          1HB       GLU  25  -3.830   7.065  -2.755
  204   1HG   GLU  25          2HG       GLU  25  -2.516   7.105  -0.854
  205   2HG   GLU  25          1HG       GLU  25  -3.343   5.555  -0.720
  206    H    LYS  26           H        LYS  26  -4.881   2.885  -3.438
  207    HA   LYS  26           HA       LYS  26  -7.060   3.350  -1.615
  208   1HB   LYS  26          2HB       LYS  26  -7.884   4.351  -3.707
  209   2HB   LYS  26          1HB       LYS  26  -7.484   2.876  -4.583
  210   1HG   LYS  26          2HG       LYS  26  -9.176   1.654  -3.387
  211   2HG   LYS  26          1HG       LYS  26  -9.492   3.036  -2.338
  212   1HD   LYS  26          2HD       LYS  26 -11.208   2.874  -4.040
  213   2HD   LYS  26          1HD       LYS  26 -10.236   4.322  -4.298
  214   1HE   LYS  26          2HE       LYS  26  -8.970   3.179  -6.036
  215   2HE   LYS  26          1HE       LYS  26  -9.898   1.706  -5.758
  216   1HZ   LYS  26          1HZ       LYS  26 -11.906   2.949  -6.396
  217   2HZ   LYS  26          2HZ       LYS  26 -10.772   2.859  -7.652
  218   3HZ   LYS  26          3HZ       LYS  26 -10.945   4.294  -6.770
  219    H    ALA  27           H        ALA  27  -6.223   1.634  -0.492
  220    HA   ALA  27           HA       ALA  27  -5.530  -0.809  -1.869
  221   1HB   ALA  27          1HB       ALA  27  -4.032  -0.156  -0.204
  222   2HB   ALA  27          2HB       ALA  27  -4.915  -1.531   0.458
  223   3HB   ALA  27          3HB       ALA  27  -5.318   0.110   0.969
  224    H    SER  28           H        SER  28  -6.845  -2.442  -2.128
  225    HA   SER  28           HA       SER  28  -9.004  -2.813  -0.164
  226   1HB   SER  28          2HB       SER  28  -9.162  -3.100  -3.161
  227   2HB   SER  28          1HB       SER  28 -10.436  -3.592  -2.043
  228    HG   SER  28           HG       SER  28  -9.581  -1.036  -1.603
  229    H    ILE  29           H        ILE  29  -7.087  -4.191   0.570
  230    HA   ILE  29           HA       ILE  29  -8.146  -6.812   0.205
  231    HB   ILE  29           HB       ILE  29  -6.279  -6.560  -1.557
  232   1HG1  ILE  29          2HG1      ILE  29  -5.451  -8.872  -1.112
  233   2HG1  ILE  29          1HG1      ILE  29  -6.220  -8.803   0.470
  234   1HG2  ILE  29          1HG2      ILE  29  -4.007  -6.997  -0.734
  235   2HG2  ILE  29          2HG2      ILE  29  -4.589  -6.814   0.922
  236   3HG2  ILE  29          3HG2      ILE  29  -4.635  -5.443  -0.188
  237   1HD1  ILE  29          1HD1      ILE  29  -7.572 -10.018  -1.157
  238   2HD1  ILE  29          2HD1      ILE  29  -7.645  -8.575  -2.170
  239   3HD1  ILE  29          3HD1      ILE  29  -8.395  -8.572  -0.573
  240    H    MET  30           H        MET  30  -7.812  -8.049   2.099
  241    HA   MET  30           HA       MET  30  -5.710  -7.196   3.892
  242   1HB   MET  30          2HB       MET  30  -7.259  -7.123   5.867
  243   2HB   MET  30          1HB       MET  30  -7.422  -5.789   4.734
  244   1HG   MET  30          2HG       MET  30  -9.377  -6.951   3.739
  245   2HG   MET  30          1HG       MET  30  -9.247  -8.168   5.007
  246   1HE   MET  30          1HE       MET  30 -10.218  -3.719   5.772
  247   2HE   MET  30          2HE       MET  30 -10.036  -4.419   4.163
  248   3HE   MET  30          3HE       MET  30  -8.637  -4.286   5.229
  249    H    TYR  31           H        TYR  31  -4.938  -9.191   3.106
  250    HA   TYR  31           HA       TYR  31  -5.766 -11.408   4.792
  251   1HB   TYR  31          2HB       TYR  31  -5.586 -11.686   1.778
  252   2HB   TYR  31          1HB       TYR  31  -5.783 -13.013   2.907
  253    HD1  TYR  31           1HD      TYR  31  -7.919 -13.159   4.248
  254    HD2  TYR  31           2HD      TYR  31  -7.446 -10.476   0.981
  255    HE1  TYR  31           1HE      TYR  31 -10.364 -12.935   4.091
  256    HE2  TYR  31           2HE      TYR  31  -9.887 -10.238   0.813
  257    HH   TYR  31           HH       TYR  31 -12.030 -11.337   3.232
  258    HA   PRO  32           HA       PRO  32  -1.398 -11.949   4.961
  259   1HB   PRO  32          2HB       PRO  32  -1.219 -14.519   5.688
  260   2HB   PRO  32          1HB       PRO  32  -1.908 -13.294   6.763
  261   1HG   PRO  32          2HG       PRO  32  -3.307 -15.237   4.964
  262   2HG   PRO  32          1HG       PRO  32  -3.640 -14.864   6.670
  263   1HD   PRO  32          2HD       PRO  32  -5.065 -13.749   4.664
  264   2HD   PRO  32          1HD       PRO  32  -4.702 -12.870   6.162
  265    H    SER  33           H        SER  33  -2.481 -12.182   2.276
  266    HA   SER  33           HA       SER  33  -2.100 -13.032   0.208
  267   1HB   SER  33          2HB       SER  33   0.275 -12.455   0.985
  268   2HB   SER  33          1HB       SER  33   0.478 -14.180   1.287
  269    HG   SER  33           HG       SER  33   1.052 -13.145  -0.898
  270    H    ASN  34           H        ASN  34  -2.858 -14.793   2.722
  271    HA   ASN  34           HA       ASN  34  -3.946 -16.734   3.018
  272   1HB   ASN  34          2HB       ASN  34  -4.961 -16.143   0.811
  273   2HB   ASN  34          1HB       ASN  34  -3.712 -17.092   0.021
  274   1HD2  ASN  34          1HD2      ASN  34  -3.999 -19.223  -0.208
  275   2HD2  ASN  34          2HD2      ASN  34  -5.333 -20.118   0.430
  276    H    ASN  35           H        ASN  35  -0.877 -16.586   2.843
  277    HA   ASN  35           HA       ASN  35  -0.602 -19.409   3.416
  278   1HB   ASN  35          2HB       ASN  35  -0.337 -19.271   0.914
  279   2HB   ASN  35          1HB       ASN  35   1.065 -18.244   1.171
  280   1HD2  ASN  35          1HD2      ASN  35  -0.236 -21.464   1.532
  281   2HD2  ASN  35          2HD2      ASN  35   1.291 -22.265   1.733
  282    H    CYS  36           H        CYS  36  -0.163 -16.535   4.465
  283    HA   CYS  36           HA       CYS  36   2.678 -16.831   5.088
  284   1HB   CYS  36          2HB       CYS  36   1.363 -14.616   3.602
  285   2HB   CYS  36          1HB       CYS  36   2.873 -14.322   4.489
  286    H    ASP  37           H        ASP  37  -0.377 -15.919   6.241
  287    HA   ASP  37           HA       ASP  37  -1.076 -15.300   8.314
  288   1HB   ASP  37          2HB       ASP  37   1.814 -15.791   8.975
  289   2HB   ASP  37          1HB       ASP  37   0.686 -15.192  10.184
  290    H    LYS  38           H        LYS  38   1.251 -13.439   6.669
  291    HA   LYS  38           HA       LYS  38   0.764 -11.111   8.374
  292   1HB   LYS  38          2HB       LYS  38   2.498 -10.006   6.982
  293   2HB   LYS  38          1HB       LYS  38   3.090 -11.449   7.788
  294   1HG   LYS  38          2HG       LYS  38   2.961 -12.709   5.757
  295   2HG   LYS  38          1HG       LYS  38   2.158 -11.373   4.933
  296   1HD   LYS  38          2HD       LYS  38   4.370 -11.242   4.198
  297   2HD   LYS  38          1HD       LYS  38   4.280 -10.028   5.471
  298   1HE   LYS  38          2HE       LYS  38   5.280 -12.834   5.909
  299   2HE   LYS  38          1HE       LYS  38   6.332 -11.484   5.494
  300   1HZ   LYS  38          1HZ       LYS  38   6.406 -11.713   7.811
  301   2HZ   LYS  38          2HZ       LYS  38   4.723 -11.856   7.954
  302   3HZ   LYS  38          3HZ       LYS  38   5.415 -10.361   7.530
  303    H    ILE  39           H        ILE  39  -0.793  -9.737   7.815
  304    HA   ILE  39           HA       ILE  39  -2.227 -10.337   5.367
  305    HB   ILE  39           HB       ILE  39  -4.041  -8.941   6.253
  306   1HG1  ILE  39          2HG1      ILE  39  -2.344  -8.636   8.743
  307   2HG1  ILE  39          1HG1      ILE  39  -2.579  -7.358   7.556
  308   1HG2  ILE  39          1HG2      ILE  39  -3.963 -11.307   6.783
  309   2HG2  ILE  39          2HG2      ILE  39  -4.650 -10.391   8.124
  310   3HG2  ILE  39          3HG2      ILE  39  -2.987 -10.971   8.213
  311   1HD1  ILE  39          1HD1      ILE  39  -4.030  -7.064   9.483
  312   2HD1  ILE  39          2HD1      ILE  39  -4.743  -8.653   9.200
  313   3HD1  ILE  39          3HD1      ILE  39  -4.971  -7.362   8.020
  314    H    GLU  40           H        GLU  40  -1.552  -9.369   3.623
  315    HA   GLU  40           HA       GLU  40  -0.147  -6.838   3.783
  316   1HB   GLU  40          2HB       GLU  40  -0.593  -8.652   1.408
  317   2HB   GLU  40          1HB       GLU  40   0.542  -7.313   1.498
  318   1HG   GLU  40          2HG       GLU  40   0.683  -9.783   3.221
  319   2HG   GLU  40          1HG       GLU  40   1.578  -9.557   1.721
  320    H    VAL  41           H        VAL  41  -0.570  -5.169   2.157
  321    HA   VAL  41           HA       VAL  41  -3.420  -4.973   1.462
  322    HB   VAL  41           HB       VAL  41  -1.778  -3.215   3.156
  323   1HG1  VAL  41          1HG1      VAL  41  -1.815  -1.769   1.213
  324   2HG1  VAL  41          2HG1      VAL  41  -2.896  -1.137   2.457
  325   3HG1  VAL  41          3HG1      VAL  41  -3.559  -1.981   1.058
  326   1HG2  VAL  41          1HG2      VAL  41  -4.757  -3.500   2.752
  327   2HG2  VAL  41          2HG2      VAL  41  -3.967  -2.628   4.066
  328   3HG2  VAL  41          3HG2      VAL  41  -3.782  -4.377   3.934
  329    H    ILE  42           H        ILE  42  -3.889  -4.206  -0.573
  330    HA   ILE  42           HA       ILE  42  -1.563  -3.717  -2.312
  331    HB   ILE  42           HB       ILE  42  -4.331  -4.714  -3.035
  332   1HG1  ILE  42          2HG1      ILE  42  -1.649  -6.131  -3.041
  333   2HG1  ILE  42          1HG1      ILE  42  -2.925  -6.376  -1.855
  334   1HG2  ILE  42          1HG2      ILE  42  -1.896  -4.327  -4.781
  335   2HG2  ILE  42          2HG2      ILE  42  -3.359  -3.345  -4.814
  336   3HG2  ILE  42          3HG2      ILE  42  -3.428  -5.044  -5.285
  337   1HD1  ILE  42          1HD1      ILE  42  -4.389  -7.241  -3.601
  338   2HD1  ILE  42          2HD1      ILE  42  -2.886  -8.159  -3.501
  339   3HD1  ILE  42          3HD1      ILE  42  -3.116  -6.985  -4.796
  340    H    ILE  43           H        ILE  43  -1.262  -1.664  -2.774
  341    HA   ILE  43           HA       ILE  43  -3.602   0.079  -3.241
  342    HB   ILE  43           HB       ILE  43  -1.129   1.437  -2.459
  343   1HG1  ILE  43          2HG1      ILE  43  -2.677  -0.038  -0.308
  344   2HG1  ILE  43          1HG1      ILE  43  -1.085  -0.516  -0.889
  345   1HG2  ILE  43          1HG2      ILE  43  -3.994   1.661  -1.536
  346   2HG2  ILE  43          2HG2      ILE  43  -3.265   2.552  -2.878
  347   3HG2  ILE  43          3HG2      ILE  43  -2.704   2.826  -1.223
  348   1HD1  ILE  43          1HD1      ILE  43  -1.766   2.081   0.477
  349   2HD1  ILE  43          2HD1      ILE  43  -0.168   1.625  -0.120
  350   3HD1  ILE  43          3HD1      ILE  43  -0.915   0.714   1.195
  351    H    THR  44           H        THR  44  -3.156   1.859  -4.662
  352    HA   THR  44           HA       THR  44  -0.757   1.556  -6.330
  353    HB   THR  44           HB       THR  44  -2.120   2.320  -8.236
  354    HG1  THR  44           1HG      THR  44  -3.843   3.199  -7.087
  355   1HG2  THR  44          1HG2      THR  44  -3.204   0.156  -8.704
  356   2HG2  THR  44          2HG2      THR  44  -3.013  -0.284  -7.007
  357   3HG2  THR  44          3HG2      THR  44  -1.591  -0.052  -8.023
  358    H    LEU  45           H        LEU  45   0.252   3.395  -5.354
  359    HA   LEU  45           HA       LEU  45  -1.271   5.847  -5.303
  360   1HB   LEU  45          2HB       LEU  45   0.227   6.622  -3.809
  361   2HB   LEU  45          1HB       LEU  45   0.721   4.952  -3.684
  362    HG   LEU  45           HG       LEU  45   2.406   5.691  -5.613
  363   1HD1  LEU  45          1HD1      LEU  45   1.933   8.238  -4.068
  364   2HD1  LEU  45          2HD1      LEU  45   1.552   7.976  -5.769
  365   3HD1  LEU  45          3HD1      LEU  45   3.231   7.952  -5.229
  366   1HD2  LEU  45          1HD2      LEU  45   4.068   6.098  -3.859
  367   2HD2  LEU  45          2HD2      LEU  45   3.041   4.713  -3.491
  368   3HD2  LEU  45          3HD2      LEU  45   2.769   6.254  -2.676
  369    H    LYS  46           H        LYS  46  -1.755   6.319  -7.339
  370    HA   LYS  46           HA       LYS  46   0.295   6.007  -9.359
  371   1HB   LYS  46          2HB       LYS  46  -1.903   5.134  -9.884
  372   2HB   LYS  46          1HB       LYS  46  -2.622   6.718  -9.637
  373   1HG   LYS  46          2HG       LYS  46  -2.337   6.090 -12.019
  374   2HG   LYS  46          1HG       LYS  46  -1.526   7.592 -11.575
  375   1HD   LYS  46          2HD       LYS  46   0.596   6.391 -11.400
  376   2HD   LYS  46          1HD       LYS  46  -0.219   4.887 -11.838
  377   1HE   LYS  46          2HE       LYS  46  -0.717   5.708 -14.019
  378   2HE   LYS  46          1HE       LYS  46  -0.195   7.337 -13.588
  379   1HZ   LYS  46          1HZ       LYS  46   1.437   6.044 -14.918
  380   2HZ   LYS  46          2HZ       LYS  46   1.619   4.989 -13.601
  381   3HZ   LYS  46          3HZ       LYS  46   2.044   6.624 -13.444
  382    H    GLU  47           H        GLU  47   1.687   7.549  -9.441
  383    HA   GLU  47           HA       GLU  47   1.305  10.125 -10.318
  384   1HB   GLU  47          2HB       GLU  47   0.079  10.495  -8.191
  385   2HB   GLU  47          1HB       GLU  47   1.503   9.995  -7.294
  386   1HG   GLU  47          2HG       GLU  47   1.394  12.365  -7.246
  387   2HG   GLU  47          1HG       GLU  47   2.730  11.910  -8.298
  388    H    ASN  48           H        ASN  48   3.049   8.563  -7.661
  389    HA   ASN  48           HA       ASN  48   5.588   9.423  -8.866
  390   1HB   ASN  48          2HB       ASN  48   5.056  10.276  -6.577
  391   2HB   ASN  48          1HB       ASN  48   5.047   8.614  -6.001
  392   1HD2  ASN  48          1HD2      ASN  48   7.244  10.092  -8.334
  393   2HD2  ASN  48          2HD2      ASN  48   8.678   9.850  -7.395
  394    H    LYS  49           H        LYS  49   3.711   6.655  -7.944
  395    HA   LYS  49           HA       LYS  49   6.009   4.919  -8.526
  396   1HB   LYS  49          2HB       LYS  49   5.504   5.123  -6.059
  397   2HB   LYS  49          1HB       LYS  49   3.985   4.298  -6.409
  398   1HG   LYS  49          2HG       LYS  49   5.615   2.715  -5.625
  399   2HG   LYS  49          1HG       LYS  49   5.238   2.403  -7.319
  400   1HD   LYS  49          2HD       LYS  49   7.283   3.450  -8.024
  401   2HD   LYS  49          1HD       LYS  49   7.625   3.992  -6.380
  402   1HE   LYS  49          2HE       LYS  49   8.992   2.076  -6.854
  403   2HE   LYS  49          1HE       LYS  49   7.763   1.615  -5.679
  404   1HZ   LYS  49          1HZ       LYS  49   7.646   1.071  -8.601
  405   2HZ   LYS  49          2HZ       LYS  49   6.494   0.591  -7.457
  406   3HZ   LYS  49          3HZ       LYS  49   8.057  -0.059  -7.402
  407    H    GLY  50           H        GLY  50   2.525   4.721  -7.849
  408   1HA   GLY  50          2HA       GLY  50   0.921   3.841  -9.370
  409   2HA   GLY  50          1HA       GLY  50   2.221   3.003 -10.210
  410    H    GLN  51           H        GLN  51   3.308   2.240  -7.476
  411    HA   GLN  51           HA       GLN  51   1.417   0.054  -6.917
  412   1HB   GLN  51          2HB       GLN  51   4.412  -0.224  -6.876
  413   2HB   GLN  51          1HB       GLN  51   3.219  -1.498  -6.691
  414   1HG   GLN  51          2HG       GLN  51   2.586  -1.379  -8.967
  415   2HG   GLN  51          1HG       GLN  51   3.519   0.097  -9.214
  416   1HE2  GLN  51          1HE2      GLN  51   3.666  -2.504 -10.574
  417   2HE2  GLN  51          2HE2      GLN  51   5.299  -3.035 -10.392
  418    H    ARG  52           H        ARG  52   1.104  -0.520  -4.915
  419    HA   ARG  52           HA       ARG  52   2.927   0.318  -2.841
  420   1HB   ARG  52          2HB       ARG  52   0.051   1.194  -3.005
  421   2HB   ARG  52          1HB       ARG  52   0.894   1.086  -1.472
  422   1HG   ARG  52          2HG       ARG  52   2.204   2.649  -3.601
  423   2HG   ARG  52          1HG       ARG  52   0.725   3.310  -2.894
  424   1HD   ARG  52          2HD       ARG  52   2.808   2.262  -1.053
  425   2HD   ARG  52          1HD       ARG  52   3.119   3.799  -1.861
  426    HE   ARG  52           HE       ARG  52   0.698   4.276  -0.911
  427   1HH1  ARG  52          1HH1      ARG  52   3.344   2.632   0.719
  428   2HH1  ARG  52          2HH1      ARG  52   2.947   3.268   2.285
  429   1HH2  ARG  52          1HH2      ARG  52   0.190   5.124   1.099
  430   2HH2  ARG  52          2HH2      ARG  52   1.137   4.700   2.508
  431    H    CYS  53           H        CYS  53   3.242  -1.373  -1.551
  432    HA   CYS  53           HA       CYS  53   0.902  -2.984  -0.881
  433   1HB   CYS  53          2HB       CYS  53   2.545  -4.105  -2.572
  434   2HB   CYS  53          1HB       CYS  53   3.590  -4.301  -1.167
  435    H    LEU  54           H        LEU  54   0.595  -2.846   1.245
  436    HA   LEU  54           HA       LEU  54   2.930  -2.127   2.887
  437   1HB   LEU  54          2HB       LEU  54   1.301  -0.248   2.286
  438   2HB   LEU  54          1HB       LEU  54   0.158  -1.056   3.342
  439    HG   LEU  54           HG       LEU  54   1.704  -0.785   5.233
  440   1HD1  LEU  54          1HD1      LEU  54   3.800  -0.816   3.973
  441   2HD1  LEU  54          2HD1      LEU  54   3.687   0.615   4.998
  442   3HD1  LEU  54          3HD1      LEU  54   3.400   0.748   3.262
  443   1HD2  LEU  54          1HD2      LEU  54   0.016   0.910   4.846
  444   2HD2  LEU  54          2HD2      LEU  54   1.084   1.753   3.725
  445   3HD2  LEU  54          3HD2      LEU  54   1.499   1.659   5.438
  446    H    ASN  55           H        ASN  55   3.015  -2.934   4.945
  447    HA   ASN  55           HA       ASN  55   1.298  -5.248   5.432
  448   1HB   ASN  55          2HB       ASN  55   3.574  -4.596   7.238
  449   2HB   ASN  55          1HB       ASN  55   3.027  -6.155   6.640
  450   1HD2  ASN  55          1HD2      ASN  55   3.655  -6.822   4.544
  451   2HD2  ASN  55          2HD2      ASN  55   5.069  -6.132   3.806
  452    HA   PRO  56           HA       PRO  56  -0.847  -3.423   8.839
  453   1HB   PRO  56          2HB       PRO  56  -0.873  -5.381  10.716
  454   2HB   PRO  56          1HB       PRO  56  -1.834  -5.458   9.235
  455   1HG   PRO  56          2HG       PRO  56   0.794  -6.751   9.856
  456   2HG   PRO  56          1HG       PRO  56  -0.627  -7.438   9.047
  457   1HD   PRO  56          2HD       PRO  56   1.536  -6.552   7.685
  458   2HD   PRO  56          1HD       PRO  56  -0.110  -6.453   7.028
  459    H    LYS  57           H        LYS  57   2.418  -4.221   9.119
  460    HA   LYS  57           HA       LYS  57   2.771  -3.439  11.857
  461   1HB   LYS  57          2HB       LYS  57   5.161  -3.645  11.423
  462   2HB   LYS  57          1HB       LYS  57   4.299  -5.045  10.806
  463   1HG   LYS  57          2HG       LYS  57   4.397  -4.022   8.536
  464   2HG   LYS  57          1HG       LYS  57   5.421  -2.751   9.212
  465   1HD   LYS  57          2HD       LYS  57   7.002  -4.521   9.977
  466   2HD   LYS  57          1HD       LYS  57   6.014  -5.708   9.125
  467   1HE   LYS  57          2HE       LYS  57   7.808  -5.169   7.678
  468   2HE   LYS  57          1HE       LYS  57   6.385  -4.351   7.035
  469   1HZ   LYS  57          1HZ       LYS  57   7.137  -2.303   8.109
  470   2HZ   LYS  57          2HZ       LYS  57   8.293  -2.889   7.018
  471   3HZ   LYS  57          3HZ       LYS  57   8.521  -3.101   8.676
  472    H    SER  58           H        SER  58   2.583  -1.817   8.825
  473    HA   SER  58           HA       SER  58   3.690   0.657   9.856
  474   1HB   SER  58          2HB       SER  58   2.124   0.163   7.307
  475   2HB   SER  58          1HB       SER  58   3.055   1.610   7.697
  476    HG   SER  58           HG       SER  58   4.576   0.563   6.667
  477    H    LYS  59           H        LYS  59   0.555  -0.753   9.101
  478    HA   LYS  59           HA       LYS  59  -1.552  -0.346   9.831
  479   1HB   LYS  59          2HB       LYS  59  -0.071  -0.101  12.026
  480   2HB   LYS  59          1HB       LYS  59  -0.606   1.568  11.916
  481   1HG   LYS  59          2HG       LYS  59  -2.700  -0.493  11.670
  482   2HG   LYS  59          1HG       LYS  59  -1.934  -0.333  13.248
  483   1HD   LYS  59          2HD       LYS  59  -3.204   1.921  11.697
  484   2HD   LYS  59          1HD       LYS  59  -3.968   1.044  13.024
  485   1HE   LYS  59          2HE       LYS  59  -1.482   2.749  13.167
  486   2HE   LYS  59          1HE       LYS  59  -3.063   3.118  13.857
  487   1HZ   LYS  59          1HZ       LYS  59  -1.830   2.304  15.640
  488   2HZ   LYS  59          2HZ       LYS  59  -1.106   1.080  14.724
  489   3HZ   LYS  59          3HZ       LYS  59  -2.742   0.959  15.154
  490    H    GLN  60           H        GLN  60   0.007   1.555   8.022
  491    HA   GLN  60           HA       GLN  60  -1.287   4.103   8.431
  492   1HB   GLN  60          2HB       GLN  60   0.988   4.118   7.621
  493   2HB   GLN  60          1HB       GLN  60   0.548   3.095   6.261
  494   1HG   GLN  60          2HG       GLN  60  -0.839   4.875   5.352
  495   2HG   GLN  60          1HG       GLN  60  -0.429   5.903   6.723
  496   1HE2  GLN  60          1HE2      GLN  60   1.582   6.826   6.847
  497   2HE2  GLN  60          2HE2      GLN  60   2.682   6.850   5.511
  498    H    ALA  61           H        ALA  61  -1.332   1.546   5.969
  499    HA   ALA  61           HA       ALA  61  -3.307   2.745   4.348
  500   1HB   ALA  61          1HB       ALA  61  -1.783   1.009   3.534
  501   2HB   ALA  61          2HB       ALA  61  -3.470   0.576   3.258
  502   3HB   ALA  61          3HB       ALA  61  -2.572  -0.171   4.580
  503    H    ARG  62           H        ARG  62  -3.458   1.313   7.351
  504    HA   ARG  62           HA       ARG  62  -6.046   0.156   7.276
  505   1HB   ARG  62          2HB       ARG  62  -4.412   1.188   9.601
  506   2HB   ARG  62          1HB       ARG  62  -5.820   0.149   9.732
  507   1HG   ARG  62          2HG       ARG  62  -3.222  -0.570   8.389
  508   2HG   ARG  62          1HG       ARG  62  -3.750  -1.109   9.984
  509   1HD   ARG  62          2HD       ARG  62  -5.181  -1.687   7.391
  510   2HD   ARG  62          1HD       ARG  62  -4.109  -2.809   8.227
  511    HE   ARG  62           HE       ARG  62  -6.157  -1.917   9.968
  512   1HH1  ARG  62          1HH1      ARG  62  -5.591  -4.101   7.270
  513   2HH1  ARG  62          2HH1      ARG  62  -6.916  -5.141   7.687
  514   1HH2  ARG  62          1HH2      ARG  62  -7.911  -3.270  10.477
  515   2HH2  ARG  62          2HH2      ARG  62  -8.228  -4.676   9.492
  516    H    LEU  63           H        LEU  63  -4.765   3.349   7.793
  517    HA   LEU  63           HA       LEU  63  -7.363   4.447   8.497
  518   1HB   LEU  63          2HB       LEU  63  -4.624   5.642   8.163
  519   2HB   LEU  63          1HB       LEU  63  -6.047   6.651   8.303
  520    HG   LEU  63           HG       LEU  63  -6.499   5.597  10.530
  521   1HD1  LEU  63          1HD1      LEU  63  -4.701   4.410  11.655
  522   2HD1  LEU  63          2HD1      LEU  63  -3.731   4.457  10.184
  523   3HD1  LEU  63          3HD1      LEU  63  -5.231   3.532  10.219
  524   1HD2  LEU  63          1HD2      LEU  63  -4.776   6.881  11.702
  525   2HD2  LEU  63          2HD2      LEU  63  -5.443   7.778  10.339
  526   3HD2  LEU  63          3HD2      LEU  63  -3.860   7.015  10.201
  527    H    ILE  64           H        ILE  64  -5.680   3.619   5.761
  528    HA   ILE  64           HA       ILE  64  -6.986   5.616   4.132
  529    HB   ILE  64           HB       ILE  64  -5.199   3.328   3.253
  530   1HG1  ILE  64          2HG1      ILE  64  -4.522   6.239   3.760
  531   2HG1  ILE  64          1HG1      ILE  64  -4.019   4.876   4.757
  532   1HG2  ILE  64          1HG2      ILE  64  -6.048   5.823   1.773
  533   2HG2  ILE  64          2HG2      ILE  64  -6.631   4.188   1.461
  534   3HG2  ILE  64          3HG2      ILE  64  -4.939   4.590   1.173
  535   1HD1  ILE  64          1HD1      ILE  64  -3.220   5.358   1.894
  536   2HD1  ILE  64          2HD1      ILE  64  -2.715   3.997   2.897
  537   3HD1  ILE  64          3HD1      ILE  64  -2.218   5.634   3.320
  538    H    ILE  65           H        ILE  65  -7.739   2.654   5.439
  539    HA   ILE  65           HA       ILE  65  -9.035   1.365   3.287
  540    HB   ILE  65           HB       ILE  65  -9.446   1.084   6.262
  541   1HG1  ILE  65          2HG1      ILE  65  -7.280   0.302   5.437
  542   2HG1  ILE  65          1HG1      ILE  65  -8.277  -1.060   5.933
  543   1HG2  ILE  65          1HG2      ILE  65 -10.635  -0.560   4.027
  544   2HG2  ILE  65          2HG2      ILE  65 -11.515   0.542   5.087
  545   3HG2  ILE  65          3HG2      ILE  65 -10.768  -0.915   5.753
  546   1HD1  ILE  65          1HD1      ILE  65  -8.822  -1.513   3.596
  547   2HD1  ILE  65          2HD1      ILE  65  -7.081  -1.546   3.879
  548   3HD1  ILE  65          3HD1      ILE  65  -7.820  -0.148   3.101
  549    H    LYS  66           H        LYS  66 -10.279   3.491   5.867
  550    HA   LYS  66           HA       LYS  66 -12.925   3.512   4.905
  551   1HB   LYS  66          2HB       LYS  66 -12.357   4.264   7.159
  552   2HB   LYS  66          1HB       LYS  66 -11.418   5.595   6.504
  553   1HG   LYS  66          2HG       LYS  66 -13.593   6.318   7.357
  554   2HG   LYS  66          1HG       LYS  66 -13.419   6.629   5.630
  555   1HD   LYS  66          2HD       LYS  66 -14.685   4.544   5.176
  556   2HD   LYS  66          1HD       LYS  66 -14.952   4.367   6.913
  557   1HE   LYS  66          2HE       LYS  66 -16.145   6.475   6.969
  558   2HE   LYS  66          1HE       LYS  66 -15.807   6.741   5.260
  559   1HZ   LYS  66          1HZ       LYS  66 -18.063   5.889   5.683
  560   2HZ   LYS  66          2HZ       LYS  66 -17.399   4.469   6.326
  561   3HZ   LYS  66          3HZ       LYS  66 -17.155   4.856   4.691
  562    H    LYS  67           H        LYS  67 -10.152   4.626   3.488
  563    HA   LYS  67           HA       LYS  67 -11.426   6.852   2.108
  564   1HB   LYS  67          2HB       LYS  67  -8.584   5.866   1.824
  565   2HB   LYS  67          1HB       LYS  67  -9.242   7.355   1.168
  566   1HG   LYS  67          2HG       LYS  67  -8.809   6.697   4.074
  567   2HG   LYS  67          1HG       LYS  67  -7.908   7.856   3.095
  568   1HD   LYS  67          2HD       LYS  67 -10.039   9.122   2.777
  569   2HD   LYS  67          1HD       LYS  67 -10.801   8.030   3.936
  570   1HE   LYS  67          2HE       LYS  67  -8.462   9.864   4.448
  571   2HE   LYS  67          1HE       LYS  67 -10.108  10.078   5.039
  572   1HZ   LYS  67          1HZ       LYS  67  -8.295   7.834   5.759
  573   2HZ   LYS  67          2HZ       LYS  67  -9.867   8.060   6.350
  574   3HZ   LYS  67          3HZ       LYS  67  -8.645   9.169   6.737
  575    H    VAL  68           H        VAL  68 -10.141   3.652   1.671
  576    HA   VAL  68           HA       VAL  68 -10.622   3.510  -1.145
  577    HB   VAL  68           HB       VAL  68  -9.918   1.305  -1.055
  578   1HG1  VAL  68          1HG1      VAL  68  -8.145   2.751  -0.344
  579   2HG1  VAL  68          2HG1      VAL  68  -8.024   1.202   0.491
  580   3HG1  VAL  68          3HG1      VAL  68  -8.664   2.613   1.334
  581   1HG2  VAL  68          1HG2      VAL  68 -11.585   0.400   0.441
  582   2HG2  VAL  68          2HG2      VAL  68 -10.780   1.139   1.824
  583   3HG2  VAL  68          3HG2      VAL  68  -9.981  -0.149   0.920
  584    H    GLU  69           H        GLU  69 -12.407   3.119   1.753
  585    HA   GLU  69           HA       GLU  69 -14.538   1.567   0.576
  586   1HB   GLU  69          2HB       GLU  69 -14.185   2.892   3.250
  587   2HB   GLU  69          1HB       GLU  69 -15.714   2.158   2.780
  588   1HG   GLU  69          2HG       GLU  69 -13.054   0.748   2.911
  589   2HG   GLU  69          1HG       GLU  69 -14.347   0.629   4.105
  590    H    ARG  70           H        ARG  70 -13.660   4.651   0.125
  591    HA   ARG  70           HA       ARG  70 -16.213   5.942   0.044
  592   1HB   ARG  70          2HB       ARG  70 -13.603   6.591  -1.333
  593   2HB   ARG  70          1HB       ARG  70 -15.005   7.643  -1.337
  594   1HG   ARG  70          2HG       ARG  70 -14.859   7.859   1.087
  595   2HG   ARG  70          1HG       ARG  70 -13.454   6.785   1.089
  596   1HD   ARG  70          2HD       ARG  70 -12.611   9.005   1.152
  597   2HD   ARG  70          1HD       ARG  70 -12.353   8.388  -0.480
  598    HE   ARG  70           HE       ARG  70 -14.784   9.923  -0.090
  599   1HH1  ARG  70          1HH1      ARG  70 -11.426   9.911  -1.124
  600   2HH1  ARG  70          2HH1      ARG  70 -11.587  11.359  -2.076
  601   1HH2  ARG  70          1HH2      ARG  70 -14.978  11.855  -1.298
  602   2HH2  ARG  70          2HH2      ARG  70 -13.593  12.480  -2.146
  603    H    LYS  71           H        LYS  71 -17.336   4.153  -1.009
  604    HA   LYS  71           HA       LYS  71 -16.722   3.693  -3.825
  605   1HB   LYS  71          2HB       LYS  71 -18.952   2.481  -2.182
  606   2HB   LYS  71          1HB       LYS  71 -18.301   1.884  -3.700
  607   1HG   LYS  71          2HG       LYS  71 -16.640   2.045  -1.205
  608   2HG   LYS  71          1HG       LYS  71 -17.650   0.651  -1.580
  609   1HD   LYS  71          2HD       LYS  71 -16.421   0.199  -3.570
  610   2HD   LYS  71          1HD       LYS  71 -15.541   1.724  -3.446
  611   1HE   LYS  71          2HE       LYS  71 -14.182  -0.200  -2.741
  612   2HE   LYS  71          1HE       LYS  71 -14.429   0.959  -1.437
  613   1HZ   LYS  71          1HZ       LYS  71 -16.346  -0.557  -0.755
  614   2HZ   LYS  71          2HZ       LYS  71 -14.774  -1.099  -0.452
  615   3HZ   LYS  71          3HZ       LYS  71 -15.640  -1.717  -1.774
  616    H    ASN  72           H        ASN  72 -18.708   5.585  -1.848
  617    HA   ASN  72           HA       ASN  72 -20.487   6.266  -4.098
  618   1HB   ASN  72          2HB       ASN  72 -21.678   5.077  -2.275
  619   2HB   ASN  72          1HB       ASN  72 -21.122   6.293  -1.132
  620   1HD2  ASN  72          1HD2      ASN  72 -23.158   6.928  -0.554
  621   2HD2  ASN  72          2HD2      ASN  72 -24.198   7.818  -1.608
  622    H    PHE  73           H        PHE  73 -21.270   8.551  -4.002
  623    HA   PHE  73           HA       PHE  73 -19.096  10.278  -3.162
  624   1HB   PHE  73          2HB       PHE  73 -20.277  12.070  -4.378
  625   2HB   PHE  73          1HB       PHE  73 -19.997  10.663  -5.392
  626    HD1  PHE  73           1HD      PHE  73 -22.039   8.965  -5.474
  627    HD2  PHE  73           2HD      PHE  73 -22.318  13.080  -4.437
  628    HE1  PHE  73           1HE      PHE  73 -24.421   8.956  -6.088
  629    HE2  PHE  73           2HE      PHE  73 -24.700  13.077  -5.042
  630    HZ   PHE  73           HZ       PHE  73 -25.757  11.013  -5.868
  Start of MODEL    4
    1   1H    PHE   1          1HT       PHE   1  15.222 -20.526   6.904
    2   2H    PHE   1          2HT       PHE   1  16.720 -21.191   6.472
    3   3H    PHE   1          3HT       PHE   1  15.448 -21.178   5.355
    4    HA   PHE   1           HA       PHE   1  16.814 -18.791   6.445
    5   1HB   PHE   1          2HB       PHE   1  16.911 -20.127   3.725
    6   2HB   PHE   1          1HB       PHE   1  17.581 -18.532   4.067
    7    HD1  PHE   1           1HD      PHE   1  19.215 -18.510   6.176
    8    HD2  PHE   1           2HD      PHE   1  18.348 -21.912   3.763
    9    HE1  PHE   1           1HE      PHE   1  21.336 -19.542   6.874
   10    HE2  PHE   1           2HE      PHE   1  20.466 -22.949   4.463
   11    HZ   PHE   1           HZ       PHE   1  21.963 -21.763   6.019
   12    HA   PRO   2           HA       PRO   2  13.600 -16.012   5.169
   13   1HB   PRO   2          2HB       PRO   2  14.644 -15.028   2.707
   14   2HB   PRO   2          1HB       PRO   2  14.700 -14.254   4.290
   15   1HG   PRO   2          2HG       PRO   2  16.770 -15.847   2.894
   16   2HG   PRO   2          1HG       PRO   2  16.956 -14.548   4.085
   17   1HD   PRO   2          2HD       PRO   2  17.413 -17.109   4.729
   18   2HD   PRO   2          1HD       PRO   2  16.659 -15.985   5.883
   19    H    MET   3           H        MET   3  14.941 -17.608   2.252
   20    HA   MET   3           HA       MET   3  12.181 -18.123   1.398
   21   1HB   MET   3          2HB       MET   3  14.787 -18.434  -0.107
   22   2HB   MET   3          1HB       MET   3  13.208 -18.867  -0.750
   23   1HG   MET   3          2HG       MET   3  12.506 -16.498  -0.414
   24   2HG   MET   3          1HG       MET   3  14.175 -16.125   0.014
   25   1HE   MET   3          1HE       MET   3  16.222 -16.375  -1.665
   26   2HE   MET   3          2HE       MET   3  16.062 -16.919  -3.338
   27   3HE   MET   3          3HE       MET   3  15.785 -18.048  -2.013
   28    H    PHE   4           H        PHE   4  12.006 -19.617   3.208
   29    HA   PHE   4           HA       PHE   4  13.486 -22.064   3.182
   30   1HB   PHE   4          2HB       PHE   4  12.413 -21.079   5.222
   31   2HB   PHE   4          1HB       PHE   4  10.844 -21.482   4.539
   32    HD1  PHE   4           1HD      PHE   4   9.905 -23.578   4.897
   33    HD2  PHE   4           2HD      PHE   4  14.058 -22.991   5.622
   34    HE1  PHE   4           1HE      PHE   4  10.042 -25.817   5.907
   35    HE2  PHE   4           2HE      PHE   4  14.203 -25.230   6.631
   36    HZ   PHE   4           HZ       PHE   4  12.195 -26.645   6.774
   37    H    LYS   5           H        LYS   5  10.220 -21.119   2.227
   38    HA   LYS   5           HA       LYS   5  10.240 -23.255   0.227
   39   1HB   LYS   5          2HB       LYS   5   7.946 -22.673   2.118
   40   2HB   LYS   5          1HB       LYS   5   7.828 -23.706   0.703
   41   1HG   LYS   5          2HG       LYS   5   9.509 -25.209   1.678
   42   2HG   LYS   5          1HG       LYS   5   9.572 -24.181   3.109
   43   1HD   LYS   5          2HD       LYS   5   8.138 -26.125   3.482
   44   2HD   LYS   5          1HD       LYS   5   7.210 -24.625   3.546
   45   1HE   LYS   5          2HE       LYS   5   6.396 -24.988   1.300
   46   2HE   LYS   5          1HE       LYS   5   7.408 -26.423   1.134
   47   1HZ   LYS   5          1HZ       LYS   5   5.083 -26.953   1.642
   48   2HZ   LYS   5          2HZ       LYS   5   5.204 -26.117   3.110
   49   3HZ   LYS   5          3HZ       LYS   5   6.138 -27.512   2.847
   50    H    ARG   6           H        ARG   6  10.264 -22.110  -1.587
   51    HA   ARG   6           HA       ARG   6   9.638 -20.713  -3.255
   52   1HB   ARG   6          2HB       ARG   6   7.344 -21.378  -2.852
   53   2HB   ARG   6          1HB       ARG   6   7.206 -20.230  -1.530
   54   1HG   ARG   6          2HG       ARG   6   7.415 -18.379  -3.078
   55   2HG   ARG   6          1HG       ARG   6   7.651 -19.503  -4.417
   56   1HD   ARG   6          2HD       ARG   6   5.421 -20.392  -4.100
   57   2HD   ARG   6          1HD       ARG   6   5.184 -19.361  -2.691
   58    HE   ARG   6           HE       ARG   6   5.543 -17.470  -4.393
   59   1HH1  ARG   6          1HH1      ARG   6   3.978 -20.528  -5.092
   60   2HH1  ARG   6          2HH1      ARG   6   2.970 -19.872  -6.350
   61   1HH2  ARG   6          1HH2      ARG   6   4.232 -16.605  -6.053
   62   2HH2  ARG   6          2HH2      ARG   6   3.122 -17.643  -6.903
   63    H    GLY   7           H        GLY   7   8.448 -18.940  -0.389
   64   1HA   GLY   7          2HA       GLY   7  10.461 -17.247   0.163
   65   2HA   GLY   7          1HA       GLY   7   9.805 -16.551  -1.312
   66    H    ARG   8           H        ARG   8   9.847 -15.189   1.118
   67    HA   ARG   8           HA       ARG   8   7.223 -15.363   2.315
   68   1HB   ARG   8          2HB       ARG   8   9.424 -13.327   2.718
   69   2HB   ARG   8          1HB       ARG   8   7.973 -13.472   3.697
   70   1HG   ARG   8          2HG       ARG   8   8.692 -15.657   4.476
   71   2HG   ARG   8          1HG       ARG   8  10.128 -15.563   3.453
   72   1HD   ARG   8          2HD       ARG   8  10.874 -13.584   4.686
   73   2HD   ARG   8          1HD       ARG   8   9.441 -13.676   5.707
   74    HE   ARG   8           HE       ARG   8  10.673 -16.127   5.943
   75   1HH1  ARG   8          1HH1      ARG   8  11.554 -12.781   6.540
   76   2HH1  ARG   8          2HH1      ARG   8  12.655 -13.163   7.830
   77   1HH2  ARG   8          1HH2      ARG   8  12.133 -16.637   7.630
   78   2HH2  ARG   8          2HH2      ARG   8  12.974 -15.358   8.452
   79    H    CYS   9           H        CYS   9   5.547 -13.924   2.035
   80    HA   CYS   9           HA       CYS   9   5.460 -12.322  -0.308
   81   1HB   CYS   9          2HB       CYS   9   3.595 -12.172   2.081
   82   2HB   CYS   9          1HB       CYS   9   3.257 -11.665   0.430
   83    H    LEU  10           H        LEU  10   7.032 -10.784  -0.312
   84    HA   LEU  10           HA       LEU  10   7.656  -9.238   1.999
   85   1HB   LEU  10          2HB       LEU  10   9.242  -8.053   0.595
   86   2HB   LEU  10          1HB       LEU  10   9.393  -9.783   0.392
   87    HG   LEU  10           HG       LEU  10   7.885  -8.058  -1.576
   88   1HD1  LEU  10          1HD1      LEU  10   9.922  -8.093  -2.946
   89   2HD1  LEU  10          2HD1      LEU  10  10.795  -8.855  -1.615
   90   3HD1  LEU  10          3HD1      LEU  10  10.159  -7.220  -1.432
   91   1HD2  LEU  10          1HD2      LEU  10   9.149 -10.792  -1.806
   92   2HD2  LEU  10          2HD2      LEU  10   8.306  -9.929  -3.093
   93   3HD2  LEU  10          3HD2      LEU  10   7.423 -10.462  -1.663
   94    H    CYS  11           H        CYS  11   6.402  -7.727   2.751
   95    HA   CYS  11           HA       CYS  11   5.114  -5.903   0.837
   96   1HB   CYS  11          2HB       CYS  11   3.459  -7.107   2.176
   97   2HB   CYS  11          1HB       CYS  11   4.259  -6.595   3.659
   98    H    ILE  12           H        ILE  12   6.129  -4.057   0.692
   99    HA   ILE  12           HA       ILE  12   7.067  -2.711   3.104
  100    HB   ILE  12           HB       ILE  12   9.030  -3.939   2.191
  101   1HG1  ILE  12          2HG1      ILE  12   9.201  -0.942   1.812
  102   2HG1  ILE  12          1HG1      ILE  12   9.363  -1.791   3.345
  103   1HG2  ILE  12          1HG2      ILE  12   9.972  -3.284   0.023
  104   2HG2  ILE  12          2HG2      ILE  12   8.555  -2.277  -0.274
  105   3HG2  ILE  12          3HG2      ILE  12   8.379  -4.027  -0.140
  106   1HD1  ILE  12          1HD1      ILE  12  11.526  -1.148   2.451
  107   2HD1  ILE  12          2HD1      ILE  12  11.200  -2.063   0.978
  108   3HD1  ILE  12          3HD1      ILE  12  11.369  -2.902   2.522
  109    H    GLY  13           H        GLY  13   7.423  -0.345   2.607
  110   1HA   GLY  13          2HA       GLY  13   5.381   0.561   0.804
  111   2HA   GLY  13          1HA       GLY  13   6.420   1.586   1.760
  112    HA   PRO  14           HA       PRO  14   8.369   0.714  -2.499
  113   1HB   PRO  14          2HB       PRO  14   6.454   0.172  -4.400
  114   2HB   PRO  14          1HB       PRO  14   7.265  -1.066  -3.441
  115   1HG   PRO  14          2HG       PRO  14   4.511  -0.203  -3.353
  116   2HG   PRO  14          1HG       PRO  14   5.277  -1.558  -2.512
  117   1HD   PRO  14          2HD       PRO  14   4.620   1.117  -1.493
  118   2HD   PRO  14          1HD       PRO  14   5.027  -0.362  -0.611
  119    H    GLY  15           H        GLY  15   7.067   3.049  -1.317
  120   1HA   GLY  15          2HA       GLY  15   7.449   4.983  -3.264
  121   2HA   GLY  15          1HA       GLY  15   5.734   4.591  -3.276
  122    H    VAL  16           H        VAL  16   4.451   5.600  -1.876
  123    HA   VAL  16           HA       VAL  16   5.448   6.827   0.543
  124    HB   VAL  16           HB       VAL  16   4.614   9.124  -0.167
  125   1HG1  VAL  16          1HG1      VAL  16   6.999   8.639   0.055
  126   2HG1  VAL  16          2HG1      VAL  16   6.691   9.780  -1.253
  127   3HG1  VAL  16          3HG1      VAL  16   7.045   8.091  -1.622
  128   1HG2  VAL  16          1HG2      VAL  16   4.610   9.636  -2.563
  129   2HG2  VAL  16          2HG2      VAL  16   3.367   8.457  -2.144
  130   3HG2  VAL  16          3HG2      VAL  16   4.857   7.928  -2.925
  131    H    LYS  17           H        LYS  17   3.318   8.640   0.903
  132    HA   LYS  17           HA       LYS  17   0.878   7.236   0.124
  133   1HB   LYS  17          2HB       LYS  17   1.715   6.624   2.528
  134   2HB   LYS  17          1HB       LYS  17   1.114   8.222   2.947
  135   1HG   LYS  17          2HG       LYS  17  -0.940   7.037   1.481
  136   2HG   LYS  17          1HG       LYS  17  -0.332   5.769   2.546
  137   1HD   LYS  17          2HD       LYS  17  -2.028   6.870   3.761
  138   2HD   LYS  17          1HD       LYS  17  -0.504   7.463   4.426
  139   1HE   LYS  17          2HE       LYS  17  -2.043   9.307   4.122
  140   2HE   LYS  17          1HE       LYS  17  -0.688   9.463   3.005
  141   1HZ   LYS  17          1HZ       LYS  17  -2.152   8.419   1.282
  142   2HZ   LYS  17          2HZ       LYS  17  -2.665   9.943   1.813
  143   3HZ   LYS  17          3HZ       LYS  17  -3.444   8.558   2.374
  144    H    ALA  18           H        ALA  18   0.694   9.008  -1.323
  145    HA   ALA  18           HA       ALA  18  -0.833  11.181  -0.353
  146   1HB   ALA  18          1HB       ALA  18   0.678  13.030  -0.897
  147   2HB   ALA  18          2HB       ALA  18   1.967  11.877  -1.247
  148   3HB   ALA  18          3HB       ALA  18   1.337  12.025   0.395
  149    H    VAL  19           H        VAL  19  -2.271  11.304  -1.949
  150    HA   VAL  19           HA       VAL  19  -1.642  12.083  -4.573
  151    HB   VAL  19           HB       VAL  19  -0.890   9.612  -4.455
  152   1HG1  VAL  19          1HG1      VAL  19  -2.619   7.971  -5.042
  153   2HG1  VAL  19          2HG1      VAL  19  -3.845   9.188  -4.690
  154   3HG1  VAL  19          3HG1      VAL  19  -2.773   8.622  -3.412
  155   1HG2  VAL  19          1HG2      VAL  19  -1.821   9.211  -6.813
  156   2HG2  VAL  19          2HG2      VAL  19  -0.746  10.576  -6.526
  157   3HG2  VAL  19          3HG2      VAL  19  -2.480  10.838  -6.655
  158    H    LYS  20           H        LYS  20  -3.948  10.812  -5.834
  159    HA   LYS  20           HA       LYS  20  -6.048  12.459  -4.953
  160   1HB   LYS  20          2HB       LYS  20  -5.583  10.995  -7.186
  161   2HB   LYS  20          1HB       LYS  20  -6.737   9.947  -6.361
  162   1HG   LYS  20          2HG       LYS  20  -7.977  11.343  -7.817
  163   2HG   LYS  20          1HG       LYS  20  -8.264  11.923  -6.176
  164   1HD   LYS  20          2HD       LYS  20  -7.921  13.842  -7.544
  165   2HD   LYS  20          1HD       LYS  20  -6.460  13.631  -6.575
  166   1HE   LYS  20          2HE       LYS  20  -5.835  14.154  -8.843
  167   2HE   LYS  20          1HE       LYS  20  -5.401  12.482  -8.493
  168   1HZ   LYS  20          1HZ       LYS  20  -7.633  13.490 -10.158
  169   2HZ   LYS  20          2HZ       LYS  20  -7.615  11.910  -9.560
  170   3HZ   LYS  20          3HZ       LYS  20  -6.383  12.424 -10.597
  171    H    VAL  21           H        VAL  21  -8.231  11.513  -4.297
  172    HA   VAL  21           HA       VAL  21  -7.803   9.442  -2.267
  173    HB   VAL  21           HB       VAL  21  -9.989  10.357  -1.281
  174   1HG1  VAL  21          1HG1      VAL  21  -8.792  12.137  -0.075
  175   2HG1  VAL  21          2HG1      VAL  21  -7.497  12.060  -1.270
  176   3HG1  VAL  21          3HG1      VAL  21  -7.820  10.673  -0.229
  177   1HG2  VAL  21          1HG2      VAL  21  -9.240  12.701  -3.032
  178   2HG2  VAL  21          2HG2      VAL  21 -10.467  12.710  -1.766
  179   3HG2  VAL  21          3HG2      VAL  21 -10.686  11.703  -3.197
  180    H    ALA  22           H        ALA  22  -8.179   7.644  -3.296
  181    HA   ALA  22           HA       ALA  22  -9.564   5.832  -3.539
  182   1HB   ALA  22          1HB       ALA  22 -11.850   7.751  -3.928
  183   2HB   ALA  22          2HB       ALA  22 -11.376   7.026  -2.391
  184   3HB   ALA  22          3HB       ALA  22 -11.961   6.004  -3.705
  185    H    ASP  23           H        ASP  23  -8.883   8.239  -5.691
  186    HA   ASP  23           HA       ASP  23  -9.782   6.818  -8.060
  187   1HB   ASP  23          2HB       ASP  23  -8.674   9.401  -7.488
  188   2HB   ASP  23          1HB       ASP  23  -7.606   8.588  -8.625
  189    H    ILE  24           H        ILE  24  -6.638   7.812  -6.881
  190    HA   ILE  24           HA       ILE  24  -5.670   5.058  -7.015
  191    HB   ILE  24           HB       ILE  24  -3.371   6.339  -6.992
  192   1HG1  ILE  24          2HG1      ILE  24  -4.622   8.598  -7.036
  193   2HG1  ILE  24          1HG1      ILE  24  -3.243   8.394  -8.106
  194   1HG2  ILE  24          1HG2      ILE  24  -4.014   4.685  -8.604
  195   2HG2  ILE  24          2HG2      ILE  24  -3.282   6.055  -9.448
  196   3HG2  ILE  24          3HG2      ILE  24  -5.034   5.847  -9.459
  197   1HD1  ILE  24          1HD1      ILE  24  -6.140   8.201  -8.896
  198   2HD1  ILE  24          2HD1      ILE  24  -4.763   7.990  -9.976
  199   3HD1  ILE  24          3HD1      ILE  24  -5.057   9.554  -9.216
  200    H    GLU  25           H        GLU  25  -3.772   4.950  -5.432
  201    HA   GLU  25           HA       GLU  25  -3.510   4.475  -3.252
  202   1HB   GLU  25          2HB       GLU  25  -3.205   6.949  -3.130
  203   2HB   GLU  25          1HB       GLU  25  -4.925   7.098  -2.771
  204   1HG   GLU  25          2HG       GLU  25  -4.678   5.915  -0.699
  205   2HG   GLU  25          1HG       GLU  25  -3.005   5.512  -1.074
  206    H    LYS  26           H        LYS  26  -4.936   2.875  -3.920
  207    HA   LYS  26           HA       LYS  26  -7.486   2.898  -2.496
  208   1HB   LYS  26          2HB       LYS  26  -7.906   3.356  -4.907
  209   2HB   LYS  26          1HB       LYS  26  -7.079   1.862  -5.318
  210   1HG   LYS  26          2HG       LYS  26  -8.797   0.615  -4.049
  211   2HG   LYS  26          1HG       LYS  26  -9.648   2.137  -3.773
  212   1HD   LYS  26          2HD       LYS  26  -9.887   2.446  -6.181
  213   2HD   LYS  26          1HD       LYS  26  -9.020   0.935  -6.468
  214   1HE   LYS  26          2HE       LYS  26 -10.800  -0.229  -5.144
  215   2HE   LYS  26          1HE       LYS  26 -11.691   1.293  -5.123
  216   1HZ   LYS  26          1HZ       LYS  26 -11.712   1.249  -7.555
  217   2HZ   LYS  26          2HZ       LYS  26 -12.469  -0.119  -6.899
  218   3HZ   LYS  26          3HZ       LYS  26 -10.907  -0.242  -7.540
  219    H    ALA  27           H        ALA  27  -6.365   1.730  -0.937
  220    HA   ALA  27           HA       ALA  27  -5.108  -0.774  -1.621
  221   1HB   ALA  27          1HB       ALA  27  -4.108   0.596   0.079
  222   2HB   ALA  27          2HB       ALA  27  -4.690  -0.897   0.812
  223   3HB   ALA  27          3HB       ALA  27  -5.602   0.599   1.015
  224    H    SER  28           H        SER  28  -6.587  -2.215  -2.268
  225    HA   SER  28           HA       SER  28  -8.740  -2.843  -0.357
  226   1HB   SER  28          2HB       SER  28  -8.718  -2.987  -3.362
  227   2HB   SER  28          1HB       SER  28 -10.018  -3.619  -2.348
  228    HG   SER  28           HG       SER  28  -9.150  -0.918  -2.494
  229    H    ILE  29           H        ILE  29  -6.719  -4.174   0.348
  230    HA   ILE  29           HA       ILE  29  -7.746  -6.794  -0.052
  231    HB   ILE  29           HB       ILE  29  -6.031  -6.667  -1.874
  232   1HG1  ILE  29          2HG1      ILE  29  -5.317  -8.618   0.326
  233   2HG1  ILE  29          1HG1      ILE  29  -6.700  -8.800  -0.750
  234   1HG2  ILE  29          1HG2      ILE  29  -4.103  -6.421   0.427
  235   2HG2  ILE  29          2HG2      ILE  29  -4.440  -5.195  -0.798
  236   3HG2  ILE  29          3HG2      ILE  29  -3.660  -6.710  -1.257
  237   1HD1  ILE  29          1HD1      ILE  29  -3.808  -8.740  -1.584
  238   2HD1  ILE  29          2HD1      ILE  29  -5.190  -8.917  -2.665
  239   3HD1  ILE  29          3HD1      ILE  29  -4.836 -10.171  -1.475
  240    H    MET  30           H        MET  30  -7.316  -8.057   1.841
  241    HA   MET  30           HA       MET  30  -5.143  -7.168   3.520
  242   1HB   MET  30          2HB       MET  30  -7.209  -5.889   4.269
  243   2HB   MET  30          1HB       MET  30  -7.856  -7.437   4.807
  244   1HG   MET  30          2HG       MET  30  -6.075  -7.717   6.371
  245   2HG   MET  30          1HG       MET  30  -5.220  -6.320   5.724
  246   1HE   MET  30          1HE       MET  30  -6.159  -5.035   9.255
  247   2HE   MET  30          2HE       MET  30  -4.875  -5.274   8.068
  248   3HE   MET  30          3HE       MET  30  -5.660  -6.667   8.810
  249    H    TYR  31           H        TYR  31  -4.370  -9.117   2.677
  250    HA   TYR  31           HA       TYR  31  -5.056 -11.378   4.385
  251   1HB   TYR  31          2HB       TYR  31  -4.788 -11.685   1.375
  252   2HB   TYR  31          1HB       TYR  31  -5.080 -12.969   2.536
  253    HD1  TYR  31           1HD      TYR  31  -6.561 -10.444   0.447
  254    HD2  TYR  31           2HD      TYR  31  -7.310 -13.065   3.715
  255    HE1  TYR  31           1HE      TYR  31  -8.977 -10.174   0.097
  256    HE2  TYR  31           2HE      TYR  31  -9.735 -12.803   3.374
  257    HH   TYR  31           HH       TYR  31 -11.300 -11.207   2.372
  258    HA   PRO  32           HA       PRO  32  -0.574 -11.784   4.157
  259   1HB   PRO  32          2HB       PRO  32  -0.282 -14.473   4.368
  260   2HB   PRO  32          1HB       PRO  32  -0.711 -13.444   5.740
  261   1HG   PRO  32          2HG       PRO  32  -2.493 -15.098   3.984
  262   2HG   PRO  32          1HG       PRO  32  -2.483 -14.961   5.757
  263   1HD   PRO  32          2HD       PRO  32  -4.249 -13.604   4.247
  264   2HD   PRO  32          1HD       PRO  32  -3.555 -12.907   5.725
  265    H    SER  33           H        SER  33  -1.674 -11.361   1.643
  266    HA   SER  33           HA       SER  33  -1.538 -11.778  -0.587
  267   1HB   SER  33          2HB       SER  33   1.009 -13.166   0.281
  268   2HB   SER  33          1HB       SER  33   0.592 -12.799  -1.395
  269    HG   SER  33           HG       SER  33   0.299 -10.542  -0.438
  270    H    ASN  34           H        ASN  34  -2.589 -13.845   1.394
  271    HA   ASN  34           HA       ASN  34  -3.519 -15.895   1.463
  272   1HB   ASN  34          2HB       ASN  34  -3.571 -15.545  -1.544
  273   2HB   ASN  34          1HB       ASN  34  -4.508 -16.735  -0.649
  274   1HD2  ASN  34          1HD2      ASN  34  -4.164 -13.399  -1.494
  275   2HD2  ASN  34          2HD2      ASN  34  -5.695 -12.872  -0.893
  276    H    ASN  35           H        ASN  35  -0.559 -15.750   1.280
  277    HA   ASN  35           HA       ASN  35  -0.160 -18.565   0.560
  278   1HB   ASN  35          2HB       ASN  35   0.401 -17.291  -1.489
  279   2HB   ASN  35          1HB       ASN  35   1.529 -16.307  -0.566
  280   1HD2  ASN  35          1HD2      ASN  35   3.533 -17.121  -0.062
  281   2HD2  ASN  35          2HD2      ASN  35   4.138 -18.604  -0.708
  282    H    CYS  36           H        CYS  36  -0.072 -16.393   2.827
  283    HA   CYS  36           HA       CYS  36   2.578 -17.088   3.861
  284   1HB   CYS  36          2HB       CYS  36   1.621 -14.380   3.043
  285   2HB   CYS  36          1HB       CYS  36   2.813 -14.552   4.343
  286    H    ASP  37           H        ASP  37   2.934 -15.711   5.906
  287    HA   ASP  37           HA       ASP  37   0.530 -15.885   7.604
  288   1HB   ASP  37          2HB       ASP  37   2.209 -16.063   9.493
  289   2HB   ASP  37          1HB       ASP  37   2.162 -17.449   8.409
  290    H    LYS  38           H        LYS  38   1.796 -13.807   5.811
  291    HA   LYS  38           HA       LYS  38   1.838 -11.623   7.736
  292   1HB   LYS  38          2HB       LYS  38   3.703 -10.586   6.397
  293   2HB   LYS  38          1HB       LYS  38   4.140 -12.003   7.338
  294   1HG   LYS  38          2HG       LYS  38   3.871 -13.364   5.307
  295   2HG   LYS  38          1HG       LYS  38   3.644 -11.883   4.387
  296   1HD   LYS  38          2HD       LYS  38   5.988 -12.804   4.353
  297   2HD   LYS  38          1HD       LYS  38   5.839 -11.128   4.874
  298   1HE   LYS  38          2HE       LYS  38   7.417 -12.345   6.278
  299   2HE   LYS  38          1HE       LYS  38   6.015 -11.825   7.206
  300   1HZ   LYS  38          1HZ       LYS  38   6.092 -14.538   6.058
  301   2HZ   LYS  38          2HZ       LYS  38   5.244 -13.976   7.413
  302   3HZ   LYS  38          3HZ       LYS  38   6.918 -14.200   7.496
  303    H    ILE  39           H        ILE  39   0.611 -10.099   7.151
  304    HA   ILE  39           HA       ILE  39  -1.040 -10.549   4.814
  305    HB   ILE  39           HB       ILE  39  -2.621  -8.980   5.801
  306   1HG1  ILE  39          2HG1      ILE  39  -0.597  -8.661   8.035
  307   2HG1  ILE  39          1HG1      ILE  39  -0.927  -7.445   6.805
  308   1HG2  ILE  39          1HG2      ILE  39  -3.124 -10.230   7.870
  309   2HG2  ILE  39          2HG2      ILE  39  -1.542 -11.001   7.757
  310   3HG2  ILE  39          3HG2      ILE  39  -2.749 -11.281   6.503
  311   1HD1  ILE  39          1HD1      ILE  39  -2.063  -6.904   8.864
  312   2HD1  ILE  39          2HD1      ILE  39  -2.864  -8.475   8.862
  313   3HD1  ILE  39          3HD1      ILE  39  -3.239  -7.292   7.609
  314    H    GLU  40           H        GLU  40  -1.690  -8.844   3.396
  315    HA   GLU  40           HA       GLU  40   0.285  -6.702   3.150
  316   1HB   GLU  40          2HB       GLU  40   1.194  -7.588   1.312
  317   2HB   GLU  40          1HB       GLU  40   0.296  -9.054   1.666
  318   1HG   GLU  40          2HG       GLU  40  -1.179  -7.002   0.186
  319   2HG   GLU  40          1HG       GLU  40   0.189  -7.725  -0.657
  320    H    VAL  41           H        VAL  41  -0.347  -5.014   1.665
  321    HA   VAL  41           HA       VAL  41  -3.221  -4.823   1.104
  322    HB   VAL  41           HB       VAL  41  -1.680  -3.106   2.933
  323   1HG1  VAL  41          1HG1      VAL  41  -2.763  -1.007   2.291
  324   2HG1  VAL  41          2HG1      VAL  41  -3.438  -1.786   0.862
  325   3HG1  VAL  41          3HG1      VAL  41  -1.691  -1.583   1.011
  326   1HG2  VAL  41          1HG2      VAL  41  -4.627  -3.416   2.379
  327   2HG2  VAL  41          2HG2      VAL  41  -3.920  -2.569   3.753
  328   3HG2  VAL  41          3HG2      VAL  41  -3.697  -4.310   3.586
  329    H    ILE  42           H        ILE  42  -3.633  -3.977  -0.933
  330    HA   ILE  42           HA       ILE  42  -1.218  -3.164  -2.396
  331    HB   ILE  42           HB       ILE  42  -3.767  -4.219  -3.633
  332   1HG1  ILE  42          2HG1      ILE  42  -1.131  -5.650  -3.132
  333   2HG1  ILE  42          1HG1      ILE  42  -2.629  -5.956  -2.258
  334   1HG2  ILE  42          1HG2      ILE  42  -1.012  -3.541  -4.660
  335   2HG2  ILE  42          2HG2      ILE  42  -2.557  -2.839  -5.151
  336   3HG2  ILE  42          3HG2      ILE  42  -2.168  -4.504  -5.588
  337   1HD1  ILE  42          1HD1      ILE  42  -2.234  -7.646  -3.950
  338   2HD1  ILE  42          2HD1      ILE  42  -2.171  -6.403  -5.200
  339   3HD1  ILE  42          3HD1      ILE  42  -3.676  -6.705  -4.334
  340    H    ILE  43           H        ILE  43  -1.084  -1.102  -2.550
  341    HA   ILE  43           HA       ILE  43  -3.498   0.488  -3.130
  342    HB   ILE  43           HB       ILE  43  -0.979   1.863  -2.423
  343   1HG1  ILE  43          2HG1      ILE  43  -2.684   0.736  -0.197
  344   2HG1  ILE  43          1HG1      ILE  43  -1.160   0.010  -0.707
  345   1HG2  ILE  43          1HG2      ILE  43  -3.082   2.994  -3.056
  346   2HG2  ILE  43          2HG2      ILE  43  -2.485   3.455  -1.453
  347   3HG2  ILE  43          3HG2      ILE  43  -3.836   2.329  -1.597
  348   1HD1  ILE  43          1HD1      ILE  43  -0.011   2.136  -0.200
  349   2HD1  ILE  43          2HD1      ILE  43  -0.786   1.414   1.214
  350   3HD1  ILE  43          3HD1      ILE  43  -1.541   2.784   0.398
  351    H    THR  44           H        THR  44  -3.221   2.109  -4.645
  352    HA   THR  44           HA       THR  44  -0.684   2.153  -6.029
  353    HB   THR  44           HB       THR  44  -1.854   0.846  -7.545
  354    HG1  THR  44           1HG      THR  44  -2.035   3.602  -8.135
  355   1HG2  THR  44          1HG2      THR  44  -4.088   1.002  -6.563
  356   2HG2  THR  44          2HG2      THR  44  -4.154   1.287  -8.302
  357   3HG2  THR  44          3HG2      THR  44  -4.260   2.645  -7.181
  358    H    LEU  45           H        LEU  45  -0.390   4.024  -4.745
  359    HA   LEU  45           HA       LEU  45  -2.288   6.183  -5.112
  360   1HB   LEU  45          2HB       LEU  45  -1.004   7.353  -3.318
  361   2HB   LEU  45          1HB       LEU  45  -1.818   5.888  -2.825
  362    HG   LEU  45           HG       LEU  45   0.713   4.990  -3.409
  363   1HD1  LEU  45          1HD1      LEU  45   2.231   6.511  -2.248
  364   2HD1  LEU  45          2HD1      LEU  45   0.927   7.688  -2.080
  365   3HD1  LEU  45          3HD1      LEU  45   1.538   7.269  -3.682
  366   1HD2  LEU  45          1HD2      LEU  45  -0.663   4.359  -1.506
  367   2HD2  LEU  45          2HD2      LEU  45  -0.415   5.948  -0.783
  368   3HD2  LEU  45          3HD2      LEU  45   0.948   4.846  -0.975
  369    H    LYS  46           H        LYS  46  -1.807   6.597  -7.185
  370    HA   LYS  46           HA       LYS  46   0.457   8.242  -7.649
  371   1HB   LYS  46          2HB       LYS  46   0.930   5.544  -7.958
  372   2HB   LYS  46          1HB       LYS  46   0.674   6.121  -9.600
  373   1HG   LYS  46          2HG       LYS  46   2.602   7.393  -7.679
  374   2HG   LYS  46          1HG       LYS  46   3.052   6.123  -8.817
  375   1HD   LYS  46          2HD       LYS  46   2.440   7.522 -10.684
  376   2HD   LYS  46          1HD       LYS  46   1.817   8.763  -9.595
  377   1HE   LYS  46          2HE       LYS  46   4.687   7.844  -9.665
  378   2HE   LYS  46          1HE       LYS  46   4.078   9.257 -10.524
  379   1HZ   LYS  46          1HZ       LYS  46   3.405  10.203  -8.396
  380   2HZ   LYS  46          2HZ       LYS  46   5.071   9.889  -8.429
  381   3HZ   LYS  46          3HZ       LYS  46   4.029   8.858  -7.577
  382    H    GLU  47           H        GLU  47  -0.015   9.761  -9.098
  383    HA   GLU  47           HA       GLU  47  -2.405   9.770 -10.582
  384   1HB   GLU  47          2HB       GLU  47   0.148  11.316 -11.086
  385   2HB   GLU  47          1HB       GLU  47  -1.428  11.697 -11.766
  386   1HG   GLU  47          2HG       GLU  47  -0.826  11.670  -8.816
  387   2HG   GLU  47          1HG       GLU  47  -0.759  13.109  -9.831
  388    H    ASN  48           H        ASN  48   0.842   8.681 -11.338
  389    HA   ASN  48           HA       ASN  48   0.003   7.836 -14.015
  390   1HB   ASN  48          2HB       ASN  48   2.712   7.760 -12.668
  391   2HB   ASN  48          1HB       ASN  48   2.394   7.161 -14.291
  392   1HD2  ASN  48          1HD2      ASN  48   4.209   9.242 -13.490
  393   2HD2  ASN  48          2HD2      ASN  48   3.709  10.678 -14.316
  394    H    LYS  49           H        LYS  49  -0.205   6.712 -10.993
  395    HA   LYS  49           HA       LYS  49  -0.802   4.749 -10.079
  396   1HB   LYS  49          2HB       LYS  49  -2.133   4.458 -12.058
  397   2HB   LYS  49          1HB       LYS  49  -0.769   3.757 -12.917
  398   1HG   LYS  49          2HG       LYS  49  -1.681   2.479 -10.393
  399   2HG   LYS  49          1HG       LYS  49  -2.648   2.259 -11.852
  400   1HD   LYS  49          2HD       LYS  49  -0.551   1.490 -13.008
  401   2HD   LYS  49          1HD       LYS  49   0.244   1.513 -11.432
  402   1HE   LYS  49          2HE       LYS  49  -2.196  -0.109 -12.147
  403   2HE   LYS  49          1HE       LYS  49  -0.552  -0.731 -12.042
  404   1HZ   LYS  49          1HZ       LYS  49  -1.979   0.535  -9.771
  405   2HZ   LYS  49          2HZ       LYS  49  -0.502  -0.297  -9.721
  406   3HZ   LYS  49          3HZ       LYS  49  -1.938  -1.137 -10.044
  407    H    GLY  50           H        GLY  50   0.238   3.275  -8.938
  408   1HA   GLY  50          2HA       GLY  50   2.456   1.746  -9.908
  409   2HA   GLY  50          1HA       GLY  50   2.972   3.068  -8.863
  410    H    GLN  51           H        GLN  51   3.482   0.505  -7.997
  411    HA   GLN  51           HA       GLN  51   1.197  -0.387  -6.444
  412   1HB   GLN  51          2HB       GLN  51   2.616  -2.296  -5.795
  413   2HB   GLN  51          1HB       GLN  51   2.417  -2.140  -7.535
  414   1HG   GLN  51          2HG       GLN  51   4.633  -1.233  -7.754
  415   2HG   GLN  51          1HG       GLN  51   4.824  -1.178  -6.002
  416   1HE2  GLN  51          1HE2      GLN  51   5.135  -3.105  -4.870
  417   2HE2  GLN  51          2HE2      GLN  51   5.621  -4.565  -5.657
  418    H    ARG  52           H        ARG  52   0.946  -0.405  -4.358
  419    HA   ARG  52           HA       ARG  52   3.153   0.450  -2.640
  420   1HB   ARG  52          2HB       ARG  52   0.320   1.460  -2.271
  421   2HB   ARG  52          1HB       ARG  52   1.762   1.954  -1.404
  422   1HG   ARG  52          2HG       ARG  52   1.289   2.468  -4.323
  423   2HG   ARG  52          1HG       ARG  52   0.930   3.605  -3.024
  424   1HD   ARG  52          2HD       ARG  52   3.327   3.512  -2.362
  425   2HD   ARG  52          1HD       ARG  52   3.637   2.499  -3.770
  426    HE   ARG  52           HE       ARG  52   2.638   5.273  -3.949
  427   1HH1  ARG  52          1HH1      ARG  52   4.552   2.619  -5.188
  428   2HH1  ARG  52          2HH1      ARG  52   5.328   3.574  -6.414
  429   1HH2  ARG  52          1HH2      ARG  52   3.633   6.542  -5.583
  430   2HH2  ARG  52          2HH2      ARG  52   4.817   5.810  -6.624
  431    H    CYS  53           H        CYS  53   3.290  -0.754  -0.789
  432    HA   CYS  53           HA       CYS  53   0.914  -2.302  -0.042
  433   1HB   CYS  53          2HB       CYS  53   2.786  -3.704  -1.060
  434   2HB   CYS  53          1HB       CYS  53   3.753  -3.278   0.349
  435    H    LEU  54           H        LEU  54   0.204  -1.445   1.854
  436    HA   LEU  54           HA       LEU  54   2.137   0.055   3.463
  437   1HB   LEU  54          2HB       LEU  54  -0.360   0.708   2.510
  438   2HB   LEU  54          1HB       LEU  54  -0.684   0.302   4.183
  439    HG   LEU  54           HG       LEU  54  -0.312   2.702   3.908
  440   1HD1  LEU  54          1HD1      LEU  54   1.413   3.018   5.614
  441   2HD1  LEU  54          2HD1      LEU  54   1.933   1.347   5.394
  442   3HD1  LEU  54          3HD1      LEU  54   0.324   1.693   6.027
  443   1HD2  LEU  54          1HD2      LEU  54   1.157   2.624   1.963
  444   2HD2  LEU  54          2HD2      LEU  54   2.439   1.924   2.951
  445   3HD2  LEU  54          3HD2      LEU  54   1.879   3.567   3.265
  446    H    ASN  55           H        ASN  55   2.277  -2.704   3.807
  447    HA   ASN  55           HA       ASN  55   1.740  -2.716   6.685
  448   1HB   ASN  55          2HB       ASN  55   0.964  -4.919   4.786
  449   2HB   ASN  55          1HB       ASN  55   1.296  -5.248   6.481
  450   1HD2  ASN  55          1HD2      ASN  55  -0.916  -3.929   4.212
  451   2HD2  ASN  55          2HD2      ASN  55  -2.192  -3.604   5.326
  452    HA   PRO  56           HA       PRO  56   6.044  -4.192   5.528
  453   1HB   PRO  56          2HB       PRO  56   7.125  -1.816   6.785
  454   2HB   PRO  56          1HB       PRO  56   7.310  -2.356   5.115
  455   1HG   PRO  56          2HG       PRO  56   5.891  -0.135   5.834
  456   2HG   PRO  56          1HG       PRO  56   5.556  -1.086   4.375
  457   1HD   PRO  56          2HD       PRO  56   4.159  -1.118   7.025
  458   2HD   PRO  56          1HD       PRO  56   3.474  -1.199   5.387
  459    H    LYS  57           H        LYS  57   4.440  -2.853   8.222
  460    HA   LYS  57           HA       LYS  57   5.242  -4.855  10.029
  461   1HB   LYS  57          2HB       LYS  57   7.341  -3.530  10.091
  462   2HB   LYS  57          1HB       LYS  57   6.414  -2.105  10.539
  463   1HG   LYS  57          2HG       LYS  57   5.652  -3.408  12.574
  464   2HG   LYS  57          1HG       LYS  57   6.892  -4.591  12.155
  465   1HD   LYS  57          2HD       LYS  57   7.357  -1.660  12.701
  466   2HD   LYS  57          1HD       LYS  57   7.701  -2.984  13.815
  467   1HE   LYS  57          2HE       LYS  57   9.367  -3.874  12.332
  468   2HE   LYS  57          1HE       LYS  57   8.940  -2.705  11.083
  469   1HZ   LYS  57          1HZ       LYS  57   9.992  -1.954  13.752
  470   2HZ   LYS  57          2HZ       LYS  57   9.775  -0.939  12.412
  471   3HZ   LYS  57          3HZ       LYS  57  10.966  -2.146  12.378
  472    H    SER  58           H        SER  58   4.396  -1.418   9.935
  473    HA   SER  58           HA       SER  58   2.365  -1.722  11.953
  474   1HB   SER  58          2HB       SER  58   2.776   0.670  10.158
  475   2HB   SER  58          1HB       SER  58   2.085   0.631  11.780
  476    HG   SER  58           HG       SER  58   4.015   0.780  12.591
  477    H    LYS  59           H        LYS  59   0.285  -2.107  11.632
  478    HA   LYS  59           HA       LYS  59  -0.692  -2.597   8.951
  479   1HB   LYS  59          2HB       LYS  59  -2.099  -2.778  11.629
  480   2HB   LYS  59          1HB       LYS  59  -2.697  -3.418  10.101
  481   1HG   LYS  59          2HG       LYS  59  -1.081  -5.095  10.030
  482   2HG   LYS  59          1HG       LYS  59  -0.060  -4.290  11.219
  483   1HD   LYS  59          2HD       LYS  59  -1.777  -4.729  12.941
  484   2HD   LYS  59          1HD       LYS  59  -2.728  -5.598  11.734
  485   1HE   LYS  59          2HE       LYS  59  -1.038  -7.261  11.487
  486   2HE   LYS  59          1HE       LYS  59   0.104  -6.329  12.452
  487   1HZ   LYS  59          1HZ       LYS  59  -0.892  -8.186  13.675
  488   2HZ   LYS  59          2HZ       LYS  59  -2.429  -7.495  13.484
  489   3HZ   LYS  59          3HZ       LYS  59  -1.244  -6.693  14.394
  490    H    GLN  60           H        GLN  60  -0.084  -0.090   8.842
  491    HA   GLN  60           HA       GLN  60  -2.058   1.689   9.985
  492   1HB   GLN  60          2HB       GLN  60   0.517   2.061   9.562
  493   2HB   GLN  60          1HB       GLN  60  -0.019   2.550   7.963
  494   1HG   GLN  60          2HG       GLN  60   0.064   4.553   9.080
  495   2HG   GLN  60          1HG       GLN  60  -1.633   4.109   9.264
  496   1HE2  GLN  60          1HE2      GLN  60  -2.374   3.412  11.288
  497   2HE2  GLN  60          2HE2      GLN  60  -1.475   3.683  12.741
  498    H    ALA  61           H        ALA  61  -1.753  -0.097   7.127
  499    HA   ALA  61           HA       ALA  61  -3.014   1.590   5.256
  500   1HB   ALA  61          1HB       ALA  61  -3.064  -1.425   5.412
  501   2HB   ALA  61          2HB       ALA  61  -1.833  -0.447   4.609
  502   3HB   ALA  61          3HB       ALA  61  -3.489  -0.452   4.001
  503    H    ARG  62           H        ARG  62  -4.158  -0.031   8.002
  504    HA   ARG  62           HA       ARG  62  -6.852  -0.426   7.410
  505   1HB   ARG  62          2HB       ARG  62  -5.907  -1.349   9.405
  506   2HB   ARG  62          1HB       ARG  62  -5.410   0.238   9.978
  507   1HG   ARG  62          2HG       ARG  62  -7.356  -0.676  11.184
  508   2HG   ARG  62          1HG       ARG  62  -7.697   0.862  10.391
  509   1HD   ARG  62          2HD       ARG  62  -9.539  -0.736  10.138
  510   2HD   ARG  62          1HD       ARG  62  -8.836  -0.291   8.586
  511    HE   ARG  62           HE       ARG  62  -7.975  -2.450   8.375
  512   1HH1  ARG  62          1HH1      ARG  62  -9.635  -2.035  11.415
  513   2HH1  ARG  62          2HH1      ARG  62  -9.851  -3.735  11.685
  514   1HH2  ARG  62          1HH2      ARG  62  -8.285  -4.697   8.698
  515   2HH2  ARG  62          2HH2      ARG  62  -9.087  -5.252  10.138
  516    H    LEU  63           H        LEU  63  -5.058   2.462   8.280
  517    HA   LEU  63           HA       LEU  63  -7.419   4.059   8.671
  518   1HB   LEU  63          2HB       LEU  63  -4.487   4.705   8.532
  519   2HB   LEU  63          1HB       LEU  63  -5.700   5.967   8.611
  520    HG   LEU  63           HG       LEU  63  -6.499   4.932  10.772
  521   1HD1  LEU  63          1HD1      LEU  63  -5.543   2.709  10.483
  522   2HD1  LEU  63          2HD1      LEU  63  -4.958   3.467  11.965
  523   3HD1  LEU  63          3HD1      LEU  63  -3.918   3.393  10.542
  524   1HD2  LEU  63          1HD2      LEU  63  -3.670   5.959  10.634
  525   2HD2  LEU  63          2HD2      LEU  63  -4.660   5.888  12.093
  526   3HD2  LEU  63          3HD2      LEU  63  -5.136   6.930  10.753
  527    H    ILE  64           H        ILE  64  -5.619   3.009   6.016
  528    HA   ILE  64           HA       ILE  64  -6.642   5.134   4.331
  529    HB   ILE  64           HB       ILE  64  -4.869   2.760   3.702
  530   1HG1  ILE  64          2HG1      ILE  64  -3.785   4.561   4.948
  531   2HG1  ILE  64          1HG1      ILE  64  -3.164   4.493   3.301
  532   1HG2  ILE  64          1HG2      ILE  64  -5.755   4.936   1.809
  533   2HG2  ILE  64          2HG2      ILE  64  -6.287   3.256   1.762
  534   3HG2  ILE  64          3HG2      ILE  64  -4.596   3.652   1.457
  535   1HD1  ILE  64          1HD1      ILE  64  -4.686   6.358   2.706
  536   2HD1  ILE  64          2HD1      ILE  64  -3.486   6.781   3.927
  537   3HD1  ILE  64          3HD1      ILE  64  -5.154   6.465   4.404
  538    H    ILE  65           H        ILE  65  -7.598   2.136   5.504
  539    HA   ILE  65           HA       ILE  65  -9.104   1.145   3.344
  540    HB   ILE  65           HB       ILE  65  -9.488   0.777   6.314
  541   1HG1  ILE  65          2HG1      ILE  65  -7.431  -0.211   5.441
  542   2HG1  ILE  65          1HG1      ILE  65  -8.577  -1.476   5.871
  543   1HG2  ILE  65          1HG2      ILE  65 -11.615   0.518   5.168
  544   2HG2  ILE  65          2HG2      ILE  65 -11.027  -1.042   5.755
  545   3HG2  ILE  65          3HG2      ILE  65 -10.884  -0.629   4.045
  546   1HD1  ILE  65          1HD1      ILE  65  -9.157  -1.766   3.531
  547   2HD1  ILE  65          2HD1      ILE  65  -7.421  -1.963   3.782
  548   3HD1  ILE  65          3HD1      ILE  65  -8.049  -0.470   3.083
  549    H    LYS  66           H        LYS  66  -9.890   3.314   6.020
  550    HA   LYS  66           HA       LYS  66 -12.583   3.713   5.203
  551   1HB   LYS  66          2HB       LYS  66 -12.573   5.607   6.786
  552   2HB   LYS  66          1HB       LYS  66 -11.940   4.136   7.509
  553   1HG   LYS  66          2HG       LYS  66  -9.709   4.931   7.392
  554   2HG   LYS  66          1HG       LYS  66 -10.180   6.289   6.366
  555   1HD   LYS  66          2HD       LYS  66 -11.504   7.210   8.219
  556   2HD   LYS  66          1HD       LYS  66 -11.002   5.860   9.237
  557   1HE   LYS  66          2HE       LYS  66  -8.737   6.565   9.206
  558   2HE   LYS  66          1HE       LYS  66  -9.051   7.743   7.931
  559   1HZ   LYS  66          1HZ       LYS  66 -10.164   7.862  10.685
  560   2HZ   LYS  66          2HZ       LYS  66 -10.408   9.006   9.455
  561   3HZ   LYS  66          3HZ       LYS  66  -8.860   8.789  10.113
  562    H    LYS  67           H        LYS  67  -9.734   4.606   3.831
  563    HA   LYS  67           HA       LYS  67 -10.726   7.112   2.729
  564   1HB   LYS  67          2HB       LYS  67  -8.057   5.722   2.523
  565   2HB   LYS  67          1HB       LYS  67  -8.465   7.127   1.547
  566   1HG   LYS  67          2HG       LYS  67  -8.551   7.123   4.551
  567   2HG   LYS  67          1HG       LYS  67  -7.130   7.597   3.616
  568   1HD   LYS  67          2HD       LYS  67  -8.404   9.365   2.541
  569   2HD   LYS  67          1HD       LYS  67  -9.862   8.864   3.400
  570   1HE   LYS  67          2HE       LYS  67  -8.861   9.441   5.516
  571   2HE   LYS  67          1HE       LYS  67  -7.330   9.815   4.729
  572   1HZ   LYS  67          1HZ       LYS  67  -8.744  11.778   5.300
  573   2HZ   LYS  67          2HZ       LYS  67  -9.855  11.258   4.127
  574   3HZ   LYS  67          3HZ       LYS  67  -8.276  11.687   3.672
  575    H    VAL  68           H        VAL  68  -9.646   3.921   1.759
  576    HA   VAL  68           HA       VAL  68 -10.441   4.065  -0.947
  577    HB   VAL  68           HB       VAL  68 -10.349   1.579   0.783
  578   1HG1  VAL  68          1HG1      VAL  68  -9.822   0.440  -1.325
  579   2HG1  VAL  68          2HG1      VAL  68 -10.015   1.968  -2.187
  580   3HG1  VAL  68          3HG1      VAL  68 -11.399   1.233  -1.376
  581   1HG2  VAL  68          1HG2      VAL  68  -8.108   2.872  -0.753
  582   2HG2  VAL  68          2HG2      VAL  68  -8.029   1.346   0.129
  583   3HG2  VAL  68          3HG2      VAL  68  -8.278   2.858   1.002
  584    H    GLU  69           H        GLU  69 -12.102   3.680   2.031
  585    HA   GLU  69           HA       GLU  69 -14.426   2.333   1.399
  586   1HB   GLU  69          2HB       GLU  69 -13.689   3.212   3.640
  587   2HB   GLU  69          1HB       GLU  69 -14.251   4.798   3.135
  588   1HG   GLU  69          2HG       GLU  69 -16.514   3.871   2.859
  589   2HG   GLU  69          1HG       GLU  69 -15.917   2.325   3.460
  590    H    ARG  70           H        ARG  70 -13.484   5.593   0.594
  591    HA   ARG  70           HA       ARG  70 -15.934   6.679  -0.190
  592   1HB   ARG  70          2HB       ARG  70 -14.005   8.078   0.104
  593   2HB   ARG  70          1HB       ARG  70 -13.106   7.193  -1.117
  594   1HG   ARG  70          2HG       ARG  70 -14.607   8.036  -2.846
  595   2HG   ARG  70          1HG       ARG  70 -15.524   8.917  -1.619
  596   1HD   ARG  70          2HD       ARG  70 -13.636  10.299  -1.110
  597   2HD   ARG  70          1HD       ARG  70 -12.583   9.320  -2.130
  598    HE   ARG  70           HE       ARG  70 -14.281  10.133  -3.955
  599   1HH1  ARG  70          1HH1      ARG  70 -13.027  11.990  -1.259
  600   2HH1  ARG  70          2HH1      ARG  70 -13.005  13.490  -2.144
  601   1HH2  ARG  70          1HH2      ARG  70 -14.282  12.087  -5.099
  602   2HH2  ARG  70          2HH2      ARG  70 -13.758  13.552  -4.322
  603    H    LYS  71           H        LYS  71 -13.786   4.454  -1.813
  604    HA   LYS  71           HA       LYS  71 -15.721   4.227  -3.988
  605   1HB   LYS  71          2HB       LYS  71 -14.041   5.699  -4.900
  606   2HB   LYS  71          1HB       LYS  71 -12.752   4.632  -4.368
  607   1HG   LYS  71          2HG       LYS  71 -13.106   4.440  -6.756
  608   2HG   LYS  71          1HG       LYS  71 -13.503   2.926  -5.945
  609   1HD   LYS  71          2HD       LYS  71 -15.165   3.395  -7.628
  610   2HD   LYS  71          1HD       LYS  71 -15.896   3.555  -6.031
  611   1HE   LYS  71          2HE       LYS  71 -15.668   5.976  -6.155
  612   2HE   LYS  71          1HE       LYS  71 -14.880   5.833  -7.726
  613   1HZ   LYS  71          1HZ       LYS  71 -17.662   4.972  -7.128
  614   2HZ   LYS  71          2HZ       LYS  71 -16.902   4.916  -8.644
  615   3HZ   LYS  71          3HZ       LYS  71 -17.235   6.411  -7.915
  616    H    ASN  72           H        ASN  72 -16.300   2.342  -2.794
  617    HA   ASN  72           HA       ASN  72 -14.438   0.102  -3.090
  618   1HB   ASN  72          2HB       ASN  72 -16.174  -1.221  -1.891
  619   2HB   ASN  72          1HB       ASN  72 -15.605   0.161  -0.963
  620   1HD2  ASN  72          1HD2      ASN  72 -16.989   1.875  -0.566
  621   2HD2  ASN  72          2HD2      ASN  72 -18.700   1.765  -0.834
  622    H    PHE  73           H        PHE  73 -17.031   1.674  -4.557
  623    HA   PHE  73           HA       PHE  73 -16.689   0.401  -7.000
  624   1HB   PHE  73          2HB       PHE  73 -17.946  -1.462  -5.821
  625   2HB   PHE  73          1HB       PHE  73 -19.328  -0.371  -5.729
  626    HD1  PHE  73           1HD      PHE  73 -17.017  -2.033  -8.096
  627    HD2  PHE  73           2HD      PHE  73 -20.784  -0.131  -7.548
  628    HE1  PHE  73           1HE      PHE  73 -17.675  -2.693 -10.370
  629    HE2  PHE  73           2HE      PHE  73 -21.450  -0.791  -9.821
  630    HZ   PHE  73           HZ       PHE  73 -19.897  -2.071 -11.235
  Start of MODEL    5
    1   1H    PHE   1          1HT       PHE   1 -10.373  -4.323 -20.936
    2   2H    PHE   1          2HT       PHE   1 -11.025  -3.766 -19.476
    3   3H    PHE   1          3HT       PHE   1 -12.015  -4.581 -20.584
    4    HA   PHE   1           HA       PHE   1 -11.504  -6.073 -18.838
    5   1HB   PHE   1          2HB       PHE   1  -9.828  -6.660 -21.291
    6   2HB   PHE   1          1HB       PHE   1 -10.278  -7.848 -20.073
    7    HD1  PHE   1           1HD      PHE   1 -12.661  -8.495 -19.803
    8    HD2  PHE   1           2HD      PHE   1 -11.345  -6.000 -22.994
    9    HE1  PHE   1           1HE      PHE   1 -14.755  -8.944 -21.015
   10    HE2  PHE   1           2HE      PHE   1 -13.438  -6.444 -24.206
   11    HZ   PHE   1           HZ       PHE   1 -15.146  -7.919 -23.218
   12    HA   PRO   2           HA       PRO   2  -8.066  -4.841 -16.427
   13   1HB   PRO   2          2HB       PRO   2  -8.378  -7.447 -15.075
   14   2HB   PRO   2          1HB       PRO   2  -8.489  -5.815 -14.411
   15   1HG   PRO   2          2HG       PRO   2 -10.668  -7.328 -14.750
   16   2HG   PRO   2          1HG       PRO   2 -10.709  -5.575 -15.027
   17   1HD   PRO   2          2HD       PRO   2 -10.561  -7.809 -17.014
   18   2HD   PRO   2          1HD       PRO   2 -11.498  -6.301 -17.079
   19    H    MET   3           H        MET   3  -6.179  -4.884 -17.469
   20    HA   MET   3           HA       MET   3  -4.886  -7.446 -18.025
   21   1HB   MET   3          2HB       MET   3  -3.254  -6.170 -19.298
   22   2HB   MET   3          1HB       MET   3  -4.879  -5.760 -19.822
   23   1HG   MET   3          2HG       MET   3  -3.233  -4.102 -17.920
   24   2HG   MET   3          1HG       MET   3  -3.345  -3.822 -19.656
   25   1HE   MET   3          1HE       MET   3  -4.074  -1.300 -19.170
   26   2HE   MET   3          2HE       MET   3  -3.966  -1.609 -17.437
   27   3HE   MET   3          3HE       MET   3  -5.415  -0.861 -18.110
   28    H    PHE   4           H        PHE   4  -2.934  -8.032 -17.109
   29    HA   PHE   4           HA       PHE   4  -1.792  -6.282 -15.067
   30   1HB   PHE   4          2HB       PHE   4  -1.771  -8.165 -13.408
   31   2HB   PHE   4          1HB       PHE   4  -3.370  -7.527 -13.761
   32    HD1  PHE   4           1HD      PHE   4  -1.227 -10.423 -13.825
   33    HD2  PHE   4           2HD      PHE   4  -4.915  -8.826 -15.225
   34    HE1  PHE   4           1HE      PHE   4  -2.008 -12.695 -14.349
   35    HE2  PHE   4           2HE      PHE   4  -5.701 -11.097 -15.751
   36    HZ   PHE   4           HZ       PHE   4  -4.247 -13.036 -15.314
   37    H    LYS   5           H        LYS   5  -1.581  -9.086 -17.115
   38    HA   LYS   5           HA       LYS   5   0.121 -10.336 -17.915
   39   1HB   LYS   5          2HB       LYS   5   0.753  -8.078 -18.793
   40   2HB   LYS   5          1HB       LYS   5   1.815  -7.886 -17.406
   41   1HG   LYS   5          2HG       LYS   5   3.129  -9.805 -18.127
   42   2HG   LYS   5          1HG       LYS   5   2.044 -10.041 -19.499
   43   1HD   LYS   5          2HD       LYS   5   3.694  -7.564 -18.997
   44   2HD   LYS   5          1HD       LYS   5   4.130  -8.863 -20.111
   45   1HE   LYS   5          2HE       LYS   5   1.612  -7.210 -20.291
   46   2HE   LYS   5          1HE       LYS   5   3.079  -6.907 -21.220
   47   1HZ   LYS   5          1HZ       LYS   5   1.414  -9.368 -21.342
   48   2HZ   LYS   5          2HZ       LYS   5   2.843  -9.110 -22.218
   49   3HZ   LYS   5          3HZ       LYS   5   1.480  -8.149 -22.517
   50    H    ARG   6           H        ARG   6  -0.168 -11.582 -15.947
   51    HA   ARG   6           HA       ARG   6   0.590 -12.805 -14.204
   52   1HB   ARG   6          2HB       ARG   6   3.283 -11.816 -15.155
   53   2HB   ARG   6          1HB       ARG   6   3.037 -13.130 -14.009
   54   1HG   ARG   6          2HG       ARG   6   1.859 -14.411 -15.709
   55   2HG   ARG   6          1HG       ARG   6   2.059 -13.086 -16.856
   56   1HD   ARG   6          2HD       ARG   6   4.515 -13.335 -16.648
   57   2HD   ARG   6          1HD       ARG   6   4.253 -14.727 -15.596
   58    HE   ARG   6           HE       ARG   6   2.841 -15.314 -17.863
   59   1HH1  ARG   6          1HH1      ARG   6   6.171 -14.487 -17.162
   60   2HH1  ARG   6          2HH1      ARG   6   6.817 -15.350 -18.524
   61   1HH2  ARG   6          1HH2      ARG   6   3.668 -16.453 -19.669
   62   2HH2  ARG   6          2HH2      ARG   6   5.389 -16.481 -19.955
   63    H    GLY   7           H        GLY   7   2.561 -12.503 -12.339
   64   1HA   GLY   7          2HA       GLY   7   3.064 -10.052 -11.206
   65   2HA   GLY   7          1HA       GLY   7   1.447 -10.483 -10.656
   66    H    ARG   8           H        ARG   8   3.213 -10.214  -8.696
   67    HA   ARG   8           HA       ARG   8   3.412 -12.873  -7.648
   68   1HB   ARG   8          2HB       ARG   8   5.505 -12.511  -9.100
   69   2HB   ARG   8          1HB       ARG   8   6.015 -11.365  -7.868
   70   1HG   ARG   8          2HG       ARG   8   6.981 -13.652  -7.641
   71   2HG   ARG   8          1HG       ARG   8   6.121 -13.074  -6.214
   72   1HD   ARG   8          2HD       ARG   8   5.658 -15.465  -6.865
   73   2HD   ARG   8          1HD       ARG   8   4.237 -14.434  -6.681
   74    HE   ARG   8           HE       ARG   8   4.801 -14.256  -9.332
   75   1HH1  ARG   8          1HH1      ARG   8   4.371 -16.985  -7.180
   76   2HH1  ARG   8          2HH1      ARG   8   3.659 -17.993  -8.409
   77   1HH2  ARG   8          1HH2      ARG   8   3.871 -15.553 -10.921
   78   2HH2  ARG   8          2HH2      ARG   8   3.341 -17.163 -10.535
   79    H    CYS   9           H        CYS   9   4.173 -12.866  -5.406
   80    HA   CYS   9           HA       CYS   9   3.117 -10.528  -4.049
   81   1HB   CYS   9          2HB       CYS   9   3.315 -12.082  -2.028
   82   2HB   CYS   9          1HB       CYS   9   2.202 -12.583  -3.298
   83    H    LEU  10           H        LEU  10   4.260 -10.364  -1.723
   84    HA   LEU  10           HA       LEU  10   6.042  -9.762  -0.468
   85   1HB   LEU  10          2HB       LEU  10   7.270 -11.723  -1.201
   86   2HB   LEU  10          1HB       LEU  10   7.734 -10.912  -2.684
   87    HG   LEU  10           HG       LEU  10   9.004  -9.248  -1.322
   88   1HD1  LEU  10          1HD1      LEU  10   8.394 -11.145   0.944
   89   2HD1  LEU  10          2HD1      LEU  10   7.755  -9.511   0.766
   90   3HD1  LEU  10          3HD1      LEU  10   9.485  -9.761   1.010
   91   1HD2  LEU  10          1HD2      LEU  10  10.136 -11.135  -2.361
   92   2HD2  LEU  10          2HD2      LEU  10   9.769 -12.147  -0.962
   93   3HD2  LEU  10          3HD2      LEU  10  10.857 -10.768  -0.794
   94    H    CYS  11           H        CYS  11   5.431  -7.674  -0.646
   95    HA   CYS  11           HA       CYS  11   7.257  -6.026  -2.211
   96   1HB   CYS  11          2HB       CYS  11   5.357  -6.187  -3.671
   97   2HB   CYS  11          1HB       CYS  11   4.243  -5.874  -2.347
   98    H    ILE  12           H        ILE  12   7.938  -4.285  -1.086
   99    HA   ILE  12           HA       ILE  12   6.305  -3.017   0.922
  100    HB   ILE  12           HB       ILE  12   7.177  -4.882   2.244
  101   1HG1  ILE  12          2HG1      ILE  12   8.362  -3.575   4.024
  102   2HG1  ILE  12          1HG1      ILE  12   8.454  -2.223   2.902
  103   1HG2  ILE  12          1HG2      ILE  12   9.569  -5.158   2.659
  104   2HG2  ILE  12          2HG2      ILE  12   9.919  -3.875   1.501
  105   3HG2  ILE  12          3HG2      ILE  12   9.177  -5.378   0.954
  106   1HD1  ILE  12          1HD1      ILE  12   6.019  -2.124   2.823
  107   2HD1  ILE  12          2HD1      ILE  12   6.628  -1.947   4.469
  108   3HD1  ILE  12          3HD1      ILE  12   5.928  -3.480   3.947
  109    H    GLY  13           H        GLY  13   6.926  -1.003   1.384
  110   1HA   GLY  13          2HA       GLY  13   7.840   1.045   0.973
  111   2HA   GLY  13          1HA       GLY  13   9.359   0.221   1.038
  112    HA   PRO  14           HA       PRO  14   8.257   0.523  -3.580
  113   1HB   PRO  14          2HB       PRO  14   5.746   0.929  -4.298
  114   2HB   PRO  14          1HB       PRO  14   6.190  -0.617  -3.554
  115   1HG   PRO  14          2HG       PRO  14   4.876   1.773  -2.308
  116   2HG   PRO  14          1HG       PRO  14   4.487   0.061  -2.104
  117   1HD   PRO  14          2HD       PRO  14   6.075   1.563  -0.372
  118   2HD   PRO  14          1HD       PRO  14   6.049  -0.203  -0.461
  119    H    GLY  15           H        GLY  15   8.148   2.810  -1.452
  120   1HA   GLY  15          2HA       GLY  15   8.595   5.094  -1.721
  121   2HA   GLY  15          1HA       GLY  15   7.953   5.005  -3.354
  122    H    VAL  16           H        VAL  16   7.082   7.118  -2.184
  123    HA   VAL  16           HA       VAL  16   4.330   6.639  -1.435
  124    HB   VAL  16           HB       VAL  16   4.416   7.987   0.612
  125   1HG1  VAL  16          1HG1      VAL  16   4.587   5.554   0.820
  126   2HG1  VAL  16          2HG1      VAL  16   5.461   6.384   2.109
  127   3HG1  VAL  16          3HG1      VAL  16   6.346   5.675   0.757
  128   1HG2  VAL  16          1HG2      VAL  16   6.546   8.569   1.670
  129   2HG2  VAL  16          2HG2      VAL  16   6.364   9.355   0.101
  130   3HG2  VAL  16          3HG2      VAL  16   7.414   7.947   0.266
  131    H    LYS  17           H        LYS  17   3.249   8.888  -1.127
  132    HA   LYS  17           HA       LYS  17   4.521  11.202  -2.106
  133   1HB   LYS  17          2HB       LYS  17   4.462   9.827  -4.209
  134   2HB   LYS  17          1HB       LYS  17   2.708   9.892  -4.131
  135   1HG   LYS  17          2HG       LYS  17   3.609  11.545  -5.678
  136   2HG   LYS  17          1HG       LYS  17   2.767  12.307  -4.327
  137   1HD   LYS  17          2HD       LYS  17   4.894  12.748  -3.228
  138   2HD   LYS  17          1HD       LYS  17   5.756  11.941  -4.541
  139   1HE   LYS  17          2HE       LYS  17   4.050  14.418  -4.819
  140   2HE   LYS  17          1HE       LYS  17   5.811  14.391  -4.756
  141   1HZ   LYS  17          1HZ       LYS  17   5.828  13.058  -6.772
  142   2HZ   LYS  17          2HZ       LYS  17   5.022  14.530  -7.029
  143   3HZ   LYS  17          3HZ       LYS  17   4.132  13.100  -6.841
  144    H    ALA  18           H        ALA  18   1.526   9.413  -1.678
  145    HA   ALA  18           HA       ALA  18  -0.490   9.990  -0.822
  146   1HB   ALA  18          1HB       ALA  18   0.679  12.724  -0.307
  147   2HB   ALA  18          2HB       ALA  18   0.690  11.372   0.825
  148   3HB   ALA  18          3HB       ALA  18  -0.840  12.097   0.334
  149    H    VAL  19           H        VAL  19  -1.987   9.959  -2.296
  150    HA   VAL  19           HA       VAL  19  -2.185  12.190  -4.203
  151    HB   VAL  19           HB       VAL  19  -2.848  10.524  -5.970
  152   1HG1  VAL  19          1HG1      VAL  19  -0.663  11.607  -5.968
  153   2HG1  VAL  19          2HG1      VAL  19  -0.551   9.946  -6.551
  154   3HG1  VAL  19          3HG1      VAL  19  -0.033  10.341  -4.911
  155   1HG2  VAL  19          1HG2      VAL  19  -3.318   8.630  -4.519
  156   2HG2  VAL  19          2HG2      VAL  19  -1.626   8.581  -4.021
  157   3HG2  VAL  19          3HG2      VAL  19  -2.063   8.223  -5.691
  158    H    LYS  20           H        LYS  20  -4.373  10.744  -5.582
  159    HA   LYS  20           HA       LYS  20  -6.450  12.054  -4.132
  160   1HB   LYS  20          2HB       LYS  20  -6.699  10.194  -6.496
  161   2HB   LYS  20          1HB       LYS  20  -7.838  11.441  -6.001
  162   1HG   LYS  20          2HG       LYS  20  -6.309  13.173  -6.638
  163   2HG   LYS  20          1HG       LYS  20  -5.040  11.983  -6.940
  164   1HD   LYS  20          2HD       LYS  20  -6.043  12.738  -9.027
  165   2HD   LYS  20          1HD       LYS  20  -6.341  11.023  -8.756
  166   1HE   LYS  20          2HE       LYS  20  -8.587  11.622  -7.867
  167   2HE   LYS  20          1HE       LYS  20  -8.275  13.295  -8.327
  168   1HZ   LYS  20          1HZ       LYS  20  -8.336  10.973 -10.178
  169   2HZ   LYS  20          2HZ       LYS  20  -8.033  12.581 -10.625
  170   3HZ   LYS  20          3HZ       LYS  20  -9.555  12.144 -10.015
  171    H    VAL  21           H        VAL  21  -6.698  10.928  -2.154
  172    HA   VAL  21           HA       VAL  21  -6.977   8.133  -1.913
  173    HB   VAL  21           HB       VAL  21  -8.038   8.689   0.340
  174   1HG1  VAL  21          1HG1      VAL  21  -5.321   9.823  -0.310
  175   2HG1  VAL  21          2HG1      VAL  21  -5.682   8.135   0.052
  176   3HG1  VAL  21          3HG1      VAL  21  -5.898   9.368   1.294
  177   1HG2  VAL  21          1HG2      VAL  21  -7.738  10.991   1.133
  178   2HG2  VAL  21          2HG2      VAL  21  -8.884  10.911  -0.205
  179   3HG2  VAL  21          3HG2      VAL  21  -7.240  11.482  -0.486
  180    H    ALA  22           H        ALA  22  -8.334   7.811  -3.672
  181    HA   ALA  22           HA       ALA  22 -10.840   6.860  -3.159
  182   1HB   ALA  22          1HB       ALA  22 -11.010   9.602  -4.431
  183   2HB   ALA  22          2HB       ALA  22 -11.595   9.183  -2.821
  184   3HB   ALA  22          3HB       ALA  22 -12.349   8.469  -4.247
  185    H    ASP  23           H        ASP  23  -8.831   8.592  -5.407
  186    HA   ASP  23           HA       ASP  23  -9.672   6.986  -7.684
  187   1HB   ASP  23          2HB       ASP  23  -9.069   9.514  -7.713
  188   2HB   ASP  23          1HB       ASP  23  -7.400   8.977  -7.635
  189    H    ILE  24           H        ILE  24  -6.686   7.758  -5.951
  190    HA   ILE  24           HA       ILE  24  -5.703   5.044  -6.314
  191    HB   ILE  24           HB       ILE  24  -3.366   6.102  -6.730
  192   1HG1  ILE  24          2HG1      ILE  24  -4.492   8.469  -6.557
  193   2HG1  ILE  24          1HG1      ILE  24  -3.187   8.186  -7.700
  194   1HG2  ILE  24          1HG2      ILE  24  -4.495   4.573  -8.219
  195   2HG2  ILE  24          2HG2      ILE  24  -3.663   5.833  -9.135
  196   3HG2  ILE  24          3HG2      ILE  24  -5.415   5.900  -8.932
  197   1HD1  ILE  24          1HD1      ILE  24  -6.126   8.237  -8.340
  198   2HD1  ILE  24          2HD1      ILE  24  -4.826   7.942  -9.495
  199   3HD1  ILE  24          3HD1      ILE  24  -4.954   9.508  -8.691
  200    H    GLU  25           H        GLU  25  -3.880   4.621  -4.968
  201    HA   GLU  25           HA       GLU  25  -3.142   4.403  -2.866
  202   1HB   GLU  25          2HB       GLU  25  -2.174   6.608  -3.342
  203   2HB   GLU  25          1HB       GLU  25  -3.636   7.380  -2.737
  204   1HG   GLU  25          2HG       GLU  25  -3.220   6.512  -0.512
  205   2HG   GLU  25          1HG       GLU  25  -1.805   5.636  -1.095
  206    H    LYS  26           H        LYS  26  -5.070   3.246  -2.847
  207    HA   LYS  26           HA       LYS  26  -6.469   3.738  -0.428
  208   1HB   LYS  26          2HB       LYS  26  -8.690   3.205  -1.391
  209   2HB   LYS  26          1HB       LYS  26  -8.062   4.722  -2.005
  210   1HG   LYS  26          2HG       LYS  26  -7.590   3.774  -4.126
  211   2HG   LYS  26          1HG       LYS  26  -7.855   2.133  -3.527
  212   1HD   LYS  26          2HD       LYS  26 -10.223   2.708  -3.097
  213   2HD   LYS  26          1HD       LYS  26  -9.937   4.308  -3.774
  214   1HE   LYS  26          2HE       LYS  26  -9.381   1.819  -5.357
  215   2HE   LYS  26          1HE       LYS  26 -10.998   2.514  -5.278
  216   1HZ   LYS  26          1HZ       LYS  26  -8.554   3.871  -6.275
  217   2HZ   LYS  26          2HZ       LYS  26 -10.071   4.603  -6.122
  218   3HZ   LYS  26          3HZ       LYS  26  -9.855   3.325  -7.211
  219    H    ALA  27           H        ALA  27  -6.300   1.868   0.611
  220    HA   ALA  27           HA       ALA  27  -4.900  -0.238  -0.772
  221   1HB   ALA  27          1HB       ALA  27  -4.419  -1.131   1.380
  222   2HB   ALA  27          2HB       ALA  27  -5.610  -0.080   2.145
  223   3HB   ALA  27          3HB       ALA  27  -4.153   0.611   1.429
  224    H    SER  28           H        SER  28  -6.039  -1.656  -1.816
  225    HA   SER  28           HA       SER  28  -8.543  -2.649  -0.624
  226   1HB   SER  28          2HB       SER  28  -7.604  -2.215  -3.439
  227   2HB   SER  28          1HB       SER  28  -9.018  -3.196  -3.079
  228    HG   SER  28           HG       SER  28  -9.124  -0.839  -1.771
  229    H    ILE  29           H        ILE  29  -6.543  -4.081   0.364
  230    HA   ILE  29           HA       ILE  29  -7.553  -6.568  -0.504
  231    HB   ILE  29           HB       ILE  29  -5.647  -6.251  -2.114
  232   1HG1  ILE  29          2HG1      ILE  29  -4.705  -8.546  -1.756
  233   2HG1  ILE  29          1HG1      ILE  29  -5.528  -8.592  -0.198
  234   1HG2  ILE  29          1HG2      ILE  29  -3.975  -6.568   0.362
  235   2HG2  ILE  29          2HG2      ILE  29  -4.105  -5.119  -0.636
  236   3HG2  ILE  29          3HG2      ILE  29  -3.377  -6.584  -1.297
  237   1HD1  ILE  29          1HD1      ILE  29  -6.850  -8.329  -2.889
  238   2HD1  ILE  29          2HD1      ILE  29  -7.678  -8.373  -1.331
  239   3HD1  ILE  29          3HD1      ILE  29  -6.785  -9.785  -1.897
  240    H    MET  30           H        MET  30  -7.327  -8.144   1.198
  241    HA   MET  30           HA       MET  30  -5.123  -7.712   3.005
  242   1HB   MET  30          2HB       MET  30  -6.970  -6.519   4.136
  243   2HB   MET  30          1HB       MET  30  -7.910  -8.010   4.149
  244   1HG   MET  30          2HG       MET  30  -6.466  -9.034   5.684
  245   2HG   MET  30          1HG       MET  30  -5.196  -7.843   5.413
  246   1HE   MET  30          1HE       MET  30  -9.050  -7.220   5.967
  247   2HE   MET  30          2HE       MET  30  -9.108  -6.948   7.708
  248   3HE   MET  30          3HE       MET  30  -8.693  -8.543   7.077
  249    H    TYR  31           H        TYR  31  -4.433  -9.409   1.739
  250    HA   TYR  31           HA       TYR  31  -5.132 -12.033   2.741
  251   1HB   TYR  31          2HB       TYR  31  -5.428 -11.302  -0.189
  252   2HB   TYR  31          1HB       TYR  31  -5.252 -12.953   0.376
  253    HD1  TYR  31           1HD      TYR  31  -7.054 -14.051   1.609
  254    HD2  TYR  31           2HD      TYR  31  -7.514 -10.101   0.097
  255    HE1  TYR  31           1HE      TYR  31  -9.486 -14.226   1.913
  256    HE2  TYR  31           2HE      TYR  31  -9.951 -10.263   0.400
  257    HH   TYR  31           HH       TYR  31 -11.418 -12.816   2.168
  258    HA   PRO  32           HA       PRO  32  -0.748 -12.749   1.956
  259   1HB   PRO  32          2HB       PRO  32  -0.829 -15.201   0.707
  260   2HB   PRO  32          1HB       PRO  32  -0.894 -14.964   2.457
  261   1HG   PRO  32          2HG       PRO  32  -3.129 -15.404   0.519
  262   2HG   PRO  32          1HG       PRO  32  -2.887 -16.108   2.131
  263   1HD   PRO  32          2HD       PRO  32  -4.594 -14.083   1.770
  264   2HD   PRO  32          1HD       PRO  32  -3.562 -14.161   3.212
  265    H    SER  33           H        SER  33  -1.663 -10.985   0.201
  266    HA   SER  33           HA       SER  33  -1.405 -10.032  -1.822
  267   1HB   SER  33          2HB       SER  33   0.908 -10.873  -1.713
  268   2HB   SER  33          1HB       SER  33   0.385 -12.404  -2.410
  269    HG   SER  33           HG       SER  33   0.664  -9.890  -3.609
  270    H    ASN  34           H        ASN  34  -1.400 -13.509  -2.487
  271    HA   ASN  34           HA       ASN  34  -3.939 -13.914  -3.380
  272   1HB   ASN  34          2HB       ASN  34  -3.238 -12.084  -5.093
  273   2HB   ASN  34          1HB       ASN  34  -2.256 -13.344  -5.825
  274   1HD2  ASN  34          1HD2      ASN  34  -4.469 -11.903  -6.966
  275   2HD2  ASN  34          2HD2      ASN  34  -5.665 -13.073  -7.393
  276    H    ASN  35           H        ASN  35  -0.524 -14.488  -3.705
  277    HA   ASN  35           HA       ASN  35  -0.994 -17.352  -4.023
  278   1HB   ASN  35          2HB       ASN  35  -0.701 -16.230  -6.330
  279   2HB   ASN  35          1HB       ASN  35   0.964 -15.943  -5.846
  280   1HD2  ASN  35          1HD2      ASN  35   2.388 -17.674  -5.712
  281   2HD2  ASN  35          2HD2      ASN  35   2.015 -19.237  -6.363
  282    H    CYS  36           H        CYS  36  -0.276 -16.110  -1.771
  283    HA   CYS  36           HA       CYS  36   2.519 -16.875  -1.423
  284   1HB   CYS  36          2HB       CYS  36   1.696 -14.190  -1.636
  285   2HB   CYS  36          1HB       CYS  36   2.039 -14.475   0.082
  286    H    ASP  37           H        ASP  37   2.997 -16.324   1.070
  287    HA   ASP  37           HA       ASP  37   0.714 -17.392   2.606
  288   1HB   ASP  37          2HB       ASP  37   2.270 -18.623   4.044
  289   2HB   ASP  37          1HB       ASP  37   2.423 -19.150   2.374
  290    H    LYS  38           H        LYS  38   2.121 -14.753   1.951
  291    HA   LYS  38           HA       LYS  38   2.180 -13.766   4.710
  292   1HB   LYS  38          2HB       LYS  38   3.895 -12.206   4.129
  293   2HB   LYS  38          1HB       LYS  38   4.424 -13.781   3.566
  294   1HG   LYS  38          2HG       LYS  38   3.869 -13.242   1.314
  295   2HG   LYS  38          1HG       LYS  38   3.100 -11.738   1.825
  296   1HD   LYS  38          2HD       LYS  38   6.035 -12.421   2.027
  297   2HD   LYS  38          1HD       LYS  38   5.303 -11.298   0.882
  298   1HE   LYS  38          2HE       LYS  38   5.332 -11.001   3.883
  299   2HE   LYS  38          1HE       LYS  38   6.361 -10.125   2.753
  300   1HZ   LYS  38          1HZ       LYS  38   4.381  -9.116   1.787
  301   2HZ   LYS  38          2HZ       LYS  38   4.469  -8.791   3.454
  302   3HZ   LYS  38          3HZ       LYS  38   3.399  -9.962   2.878
  303    H    ILE  39           H        ILE  39   0.880 -12.080   5.083
  304    HA   ILE  39           HA       ILE  39  -1.023 -11.526   2.958
  305    HB   ILE  39           HB       ILE  39  -2.431 -10.525   4.741
  306   1HG1  ILE  39          2HG1      ILE  39  -0.224 -11.526   6.560
  307   2HG1  ILE  39          1HG1      ILE  39  -0.700  -9.846   6.325
  308   1HG2  ILE  39          1HG2      ILE  39  -2.630 -12.856   4.036
  309   2HG2  ILE  39          2HG2      ILE  39  -3.038 -12.649   5.738
  310   3HG2  ILE  39          3HG2      ILE  39  -1.476 -13.331   5.281
  311   1HD1  ILE  39          1HD1      ILE  39  -2.896 -10.347   7.293
  312   2HD1  ILE  39          2HD1      ILE  39  -1.578 -10.700   8.410
  313   3HD1  ILE  39          3HD1      ILE  39  -2.385 -12.015   7.556
  314    H    GLU  40           H        GLU  40  -1.478  -9.515   2.152
  315    HA   GLU  40           HA       GLU  40   0.397  -7.363   2.836
  316   1HB   GLU  40          2HB       GLU  40   0.008  -8.414   0.028
  317   2HB   GLU  40          1HB       GLU  40   1.123  -7.146   0.536
  318   1HG   GLU  40          2HG       GLU  40   2.193  -8.935   2.014
  319   2HG   GLU  40          1HG       GLU  40   1.268 -10.091   1.069
  320    H    VAL  41           H        VAL  41  -0.139  -5.324   1.772
  321    HA   VAL  41           HA       VAL  41  -2.988  -5.100   1.055
  322    HB   VAL  41           HB       VAL  41  -1.395  -3.644   3.023
  323   1HG1  VAL  41          1HG1      VAL  41  -2.314  -1.423   2.606
  324   2HG1  VAL  41          2HG1      VAL  41  -3.039  -1.994   1.104
  325   3HG1  VAL  41          3HG1      VAL  41  -1.284  -1.934   1.268
  326   1HG2  VAL  41          1HG2      VAL  41  -3.489  -4.823   3.496
  327   2HG2  VAL  41          2HG2      VAL  41  -4.351  -3.711   2.433
  328   3HG2  VAL  41          3HG2      VAL  41  -3.600  -3.111   3.910
  329    H    ILE  42           H        ILE  42  -3.536  -3.697  -0.714
  330    HA   ILE  42           HA       ILE  42  -1.211  -2.846  -2.301
  331    HB   ILE  42           HB       ILE  42  -3.873  -3.729  -3.457
  332   1HG1  ILE  42          2HG1      ILE  42  -1.230  -5.234  -3.392
  333   2HG1  ILE  42          1HG1      ILE  42  -2.643  -5.637  -2.423
  334   1HG2  ILE  42          1HG2      ILE  42  -1.193  -2.983  -4.654
  335   2HG2  ILE  42          2HG2      ILE  42  -2.733  -2.143  -4.858
  336   3HG2  ILE  42          3HG2      ILE  42  -2.500  -3.738  -5.573
  337   1HD1  ILE  42          1HD1      ILE  42  -2.472  -5.709  -5.426
  338   2HD1  ILE  42          2HD1      ILE  42  -3.906  -6.079  -4.469
  339   3HD1  ILE  42          3HD1      ILE  42  -2.472  -7.099  -4.341
  340    H    ILE  43           H        ILE  43  -1.140  -0.750  -1.899
  341    HA   ILE  43           HA       ILE  43  -3.573   0.855  -2.375
  342    HB   ILE  43           HB       ILE  43  -1.079   2.111  -1.376
  343   1HG1  ILE  43          2HG1      ILE  43  -2.941   0.670   0.526
  344   2HG1  ILE  43          1HG1      ILE  43  -1.379   0.023   0.028
  345   1HG2  ILE  43          1HG2      ILE  43  -2.650   3.525  -0.233
  346   2HG2  ILE  43          2HG2      ILE  43  -3.976   2.439  -0.661
  347   3HG2  ILE  43          3HG2      ILE  43  -3.132   3.342  -1.926
  348   1HD1  ILE  43          1HD1      ILE  43  -1.868   2.584   1.527
  349   2HD1  ILE  43          2HD1      ILE  43  -0.294   2.038   0.942
  350   3HD1  ILE  43          3HD1      ILE  43  -1.161   1.098   2.163
  351    H    THR  44           H        THR  44  -3.651   1.509  -4.415
  352    HA   THR  44           HA       THR  44  -1.138   1.628  -5.848
  353    HB   THR  44           HB       THR  44  -2.414   1.895  -7.836
  354    HG1  THR  44           1HG      THR  44  -4.104   3.168  -6.834
  355   1HG2  THR  44          1HG2      THR  44  -3.611  -0.223  -6.061
  356   2HG2  THR  44          2HG2      THR  44  -2.129  -0.375  -7.007
  357   3HG2  THR  44          3HG2      THR  44  -3.684  -0.211  -7.825
  358    H    LEU  45           H        LEU  45  -0.197   3.541  -4.986
  359    HA   LEU  45           HA       LEU  45  -1.736   5.971  -5.271
  360   1HB   LEU  45          2HB       LEU  45  -0.553   6.753  -3.555
  361   2HB   LEU  45          1HB       LEU  45   0.099   5.145  -3.379
  362    HG   LEU  45           HG       LEU  45   1.991   5.928  -4.920
  363   1HD1  LEU  45          1HD1      LEU  45   2.428   8.339  -4.897
  364   2HD1  LEU  45          2HD1      LEU  45   0.890   8.617  -4.081
  365   3HD1  LEU  45          3HD1      LEU  45   0.913   7.982  -5.727
  366   1HD2  LEU  45          1HD2      LEU  45   3.189   6.953  -3.051
  367   2HD2  LEU  45          2HD2      LEU  45   2.279   5.527  -2.548
  368   3HD2  LEU  45          3HD2      LEU  45   1.666   7.141  -2.184
  369    H    LYS  46           H        LYS  46  -1.923   6.139  -7.430
  370    HA   LYS  46           HA       LYS  46   0.285   7.519  -8.572
  371   1HB   LYS  46          2HB       LYS  46   0.848   5.156  -9.164
  372   2HB   LYS  46          1HB       LYS  46  -0.586   5.145 -10.182
  373   1HG   LYS  46          2HG       LYS  46   0.356   7.081 -11.424
  374   2HG   LYS  46          1HG       LYS  46   1.832   6.907 -10.478
  375   1HD   LYS  46          2HD       LYS  46   2.068   4.603 -11.339
  376   2HD   LYS  46          1HD       LYS  46   0.640   4.860 -12.346
  377   1HE   LYS  46          2HE       LYS  46   3.287   6.293 -12.494
  378   2HE   LYS  46          1HE       LYS  46   2.566   5.237 -13.708
  379   1HZ   LYS  46          1HZ       LYS  46   0.769   6.883 -13.961
  380   2HZ   LYS  46          2HZ       LYS  46   2.290   7.522 -14.356
  381   3HZ   LYS  46          3HZ       LYS  46   1.570   7.910 -12.871
  382    H    GLU  47           H        GLU  47  -1.845   5.998 -10.776
  383    HA   GLU  47           HA       GLU  47  -3.762   8.184 -10.842
  384   1HB   GLU  47          2HB       GLU  47  -1.940   7.523 -13.168
  385   2HB   GLU  47          1HB       GLU  47  -3.412   8.467 -13.321
  386   1HG   GLU  47          2HG       GLU  47  -1.105   9.243 -11.562
  387   2HG   GLU  47          1HG       GLU  47  -1.299   9.783 -13.228
  388    H    ASN  48           H        ASN  48  -2.669   5.734 -13.157
  389    HA   ASN  48           HA       ASN  48  -5.284   4.374 -12.937
  390   1HB   ASN  48          2HB       ASN  48  -4.682   5.370 -15.179
  391   2HB   ASN  48          1HB       ASN  48  -3.306   4.277 -15.238
  392   1HD2  ASN  48          1HD2      ASN  48  -6.477   3.430 -13.967
  393   2HD2  ASN  48          2HD2      ASN  48  -6.863   2.293 -15.210
  394    H    LYS  49           H        LYS  49  -2.906   4.147 -11.265
  395    HA   LYS  49           HA       LYS  49  -2.445   1.370 -11.097
  396   1HB   LYS  49          2HB       LYS  49  -1.129   1.642 -13.105
  397   2HB   LYS  49          1HB       LYS  49  -0.338   3.061 -12.444
  398   1HG   LYS  49          2HG       LYS  49   0.723   1.658 -10.745
  399   2HG   LYS  49          1HG       LYS  49  -0.013   0.231 -11.484
  400   1HD   LYS  49          2HD       LYS  49   1.872   2.121 -12.889
  401   2HD   LYS  49          1HD       LYS  49   2.348   0.592 -12.153
  402   1HE   LYS  49          2HE       LYS  49   0.693  -0.538 -13.664
  403   2HE   LYS  49          1HE       LYS  49   0.489   1.009 -14.486
  404   1HZ   LYS  49          1HZ       LYS  49   3.000  -0.555 -14.247
  405   2HZ   LYS  49          2HZ       LYS  49   2.905   0.995 -14.920
  406   3HZ   LYS  49          3HZ       LYS  49   2.100  -0.302 -15.659
  407    H    GLY  50           H        GLY  50  -0.560   1.021  -9.410
  408   1HA   GLY  50          2HA       GLY  50   1.033   2.986  -8.423
  409   2HA   GLY  50          1HA       GLY  50  -0.438   3.106  -7.458
  410    H    GLN  51           H        GLN  51   2.051   2.401  -6.347
  411    HA   GLN  51           HA       GLN  51   1.214  -0.192  -5.319
  412   1HB   GLN  51          2HB       GLN  51   3.693  -0.847  -5.225
  413   2HB   GLN  51          1HB       GLN  51   2.837  -1.011  -6.751
  414   1HG   GLN  51          2HG       GLN  51   3.780   1.284  -7.331
  415   2HG   GLN  51          1HG       GLN  51   4.852   1.058  -5.950
  416   1HE2  GLN  51          1HE2      GLN  51   6.458  -0.505  -6.045
  417   2HE2  GLN  51          2HE2      GLN  51   6.923  -1.271  -7.524
  418    H    ARG  52           H        ARG  52   1.011  -0.174  -3.347
  419    HA   ARG  52           HA       ARG  52   2.972   1.006  -1.571
  420   1HB   ARG  52          2HB       ARG  52   0.001   1.575  -1.399
  421   2HB   ARG  52          1HB       ARG  52   1.153   1.914  -0.122
  422   1HG   ARG  52          2HG       ARG  52   1.371   3.080  -2.855
  423   2HG   ARG  52          1HG       ARG  52   0.455   3.846  -1.553
  424   1HD   ARG  52          2HD       ARG  52   3.379   3.115  -1.414
  425   2HD   ARG  52          1HD       ARG  52   2.744   4.739  -1.686
  426    HE   ARG  52           HE       ARG  52   1.624   4.439   0.557
  427   1HH1  ARG  52          1HH1      ARG  52   4.686   3.004  -0.281
  428   2HH1  ARG  52          2HH1      ARG  52   5.194   2.773   1.366
  429   1HH2  ARG  52          1HH2      ARG  52   2.263   4.144   2.733
  430   2HH2  ARG  52          2HH2      ARG  52   3.789   3.394   3.098
  431    H    CYS  53           H        CYS  53   3.566  -1.005  -0.893
  432    HA   CYS  53           HA       CYS  53   1.371  -2.822  -0.234
  433   1HB   CYS  53          2HB       CYS  53   4.236  -3.687  -0.497
  434   2HB   CYS  53          1HB       CYS  53   2.766  -4.613  -0.791
  435    H    LEU  54           H        LEU  54   0.887  -2.684   1.855
  436    HA   LEU  54           HA       LEU  54   3.080  -2.389   3.794
  437   1HB   LEU  54          2HB       LEU  54   1.587  -0.426   3.654
  438   2HB   LEU  54          1HB       LEU  54   0.218  -1.453   4.038
  439    HG   LEU  54           HG       LEU  54   1.215  -1.928   6.250
  440   1HD1  LEU  54          1HD1      LEU  54   3.279   0.104   5.410
  441   2HD1  LEU  54          2HD1      LEU  54   3.560  -1.614   5.700
  442   3HD1  LEU  54          3HD1      LEU  54   3.090  -0.561   7.034
  443   1HD2  LEU  54          1HD2      LEU  54   0.796   0.279   7.218
  444   2HD2  LEU  54          2HD2      LEU  54  -0.413  -0.136   6.003
  445   3HD2  LEU  54          3HD2      LEU  54   0.879   0.998   5.610
  446    H    ASN  55           H        ASN  55   3.210  -3.827   5.428
  447    HA   ASN  55           HA       ASN  55   1.484  -6.143   5.300
  448   1HB   ASN  55          2HB       ASN  55   3.898  -5.538   7.028
  449   2HB   ASN  55          1HB       ASN  55   3.022  -7.066   7.042
  450   1HD2  ASN  55          1HD2      ASN  55   5.263  -5.062   5.344
  451   2HD2  ASN  55          2HD2      ASN  55   5.695  -6.216   4.127
  452    HA   PRO  56           HA       PRO  56  -1.345  -4.926   8.429
  453   1HB   PRO  56          2HB       PRO  56  -1.378  -7.772   9.245
  454   2HB   PRO  56          1HB       PRO  56  -2.700  -6.743   8.683
  455   1HG   PRO  56          2HG       PRO  56  -1.703  -8.619   7.095
  456   2HG   PRO  56          1HG       PRO  56  -2.138  -7.026   6.442
  457   1HD   PRO  56          2HD       PRO  56   0.570  -8.087   7.190
  458   2HD   PRO  56          1HD       PRO  56   0.078  -7.196   5.732
  459    H    LYS  57           H        LYS  57  -1.830  -6.218  10.840
  460    HA   LYS  57           HA       LYS  57  -1.317  -5.980  13.032
  461   1HB   LYS  57          2HB       LYS  57   1.548  -6.233  12.088
  462   2HB   LYS  57          1HB       LYS  57   1.051  -6.206  13.773
  463   1HG   LYS  57          2HG       LYS  57  -0.318  -8.250  13.315
  464   2HG   LYS  57          1HG       LYS  57   0.432  -8.313  11.717
  465   1HD   LYS  57          2HD       LYS  57   2.642  -8.451  12.754
  466   2HD   LYS  57          1HD       LYS  57   1.904  -8.361  14.351
  467   1HE   LYS  57          2HE       LYS  57   2.391 -10.645  13.942
  468   2HE   LYS  57          1HE       LYS  57   0.645 -10.455  13.781
  469   1HZ   LYS  57          1HZ       LYS  57   2.584 -10.569  11.532
  470   2HZ   LYS  57          2HZ       LYS  57   0.901 -10.407  11.381
  471   3HZ   LYS  57          3HZ       LYS  57   1.561 -11.831  12.021
  472    H    SER  58           H        SER  58  -2.112  -3.945  13.287
  473    HA   SER  58           HA       SER  58  -2.149  -1.716  13.689
  474   1HB   SER  58          2HB       SER  58   0.841  -2.061  14.057
  475   2HB   SER  58          1HB       SER  58  -0.119  -0.693  14.624
  476    HG   SER  58           HG       SER  58  -0.068  -3.359  15.556
  477    H    LYS  59           H        LYS  59  -1.919  -2.597  10.971
  478    HA   LYS  59           HA       LYS  59  -0.075  -0.887   9.593
  479   1HB   LYS  59          2HB       LYS  59  -1.233  -1.675   7.541
  480   2HB   LYS  59          1HB       LYS  59  -0.661  -2.985   8.559
  481   1HG   LYS  59          2HG       LYS  59  -2.872  -3.443   9.334
  482   2HG   LYS  59          1HG       LYS  59  -3.502  -1.991   8.553
  483   1HD   LYS  59          2HD       LYS  59  -3.053  -2.901   6.373
  484   2HD   LYS  59          1HD       LYS  59  -2.227  -4.292   7.078
  485   1HE   LYS  59          2HE       LYS  59  -4.500  -4.842   6.320
  486   2HE   LYS  59          1HE       LYS  59  -4.300  -5.069   8.056
  487   1HZ   LYS  59          1HZ       LYS  59  -5.503  -2.645   6.840
  488   2HZ   LYS  59          2HZ       LYS  59  -5.468  -3.058   8.480
  489   3HZ   LYS  59          3HZ       LYS  59  -6.404  -3.960   7.400
  490    H    GLN  60           H        GLN  60  -0.433   1.040   8.612
  491    HA   GLN  60           HA       GLN  60  -2.549   2.692   9.502
  492   1HB   GLN  60          2HB       GLN  60  -0.703   3.103   7.139
  493   2HB   GLN  60          1HB       GLN  60  -1.690   4.342   7.900
  494   1HG   GLN  60          2HG       GLN  60   0.640   2.881   9.115
  495   2HG   GLN  60          1HG       GLN  60   0.578   4.575   8.625
  496   1HE2  GLN  60          1HE2      GLN  60  -0.678   6.025   9.846
  497   2HE2  GLN  60          2HE2      GLN  60  -1.087   5.679  11.493
  498    H    ALA  61           H        ALA  61  -2.407   0.373   7.054
  499    HA   ALA  61           HA       ALA  61  -4.162   1.449   5.138
  500   1HB   ALA  61          1HB       ALA  61  -4.424  -0.827   4.340
  501   2HB   ALA  61          2HB       ALA  61  -3.705  -1.450   5.826
  502   3HB   ALA  61          3HB       ALA  61  -2.730  -0.496   4.708
  503    H    ARG  62           H        ARG  62  -4.703   0.560   8.318
  504    HA   ARG  62           HA       ARG  62  -7.322  -0.423   8.284
  505   1HB   ARG  62          2HB       ARG  62  -5.895  -0.357  10.305
  506   2HB   ARG  62          1HB       ARG  62  -5.975   1.396  10.300
  507   1HG   ARG  62          2HG       ARG  62  -7.519   0.800  11.916
  508   2HG   ARG  62          1HG       ARG  62  -8.521   1.072  10.490
  509   1HD   ARG  62          2HD       ARG  62  -9.284  -0.932  11.517
  510   2HD   ARG  62          1HD       ARG  62  -8.411  -1.393  10.057
  511    HE   ARG  62           HE       ARG  62  -6.472  -1.639  11.834
  512   1HH1  ARG  62          1HH1      ARG  62  -9.826  -2.591  12.094
  513   2HH1  ARG  62          2HH1      ARG  62  -9.509  -3.914  13.168
  514   1HH2  ARG  62          1HH2      ARG  62  -6.033  -3.388  13.243
  515   2HH2  ARG  62          2HH2      ARG  62  -7.345  -4.374  13.823
  516    H    LEU  63           H        LEU  63  -6.062   2.876   8.450
  517    HA   LEU  63           HA       LEU  63  -8.714   4.001   8.187
  518   1HB   LEU  63          2HB       LEU  63  -5.982   5.239   8.451
  519   2HB   LEU  63          1HB       LEU  63  -7.431   6.194   8.193
  520    HG   LEU  63           HG       LEU  63  -7.026   6.307  10.499
  521   1HD1  LEU  63          1HD1      LEU  63  -9.359   5.836   9.975
  522   2HD1  LEU  63          2HD1      LEU  63  -8.901   5.151  11.535
  523   3HD1  LEU  63          3HD1      LEU  63  -9.050   4.107  10.120
  524   1HD2  LEU  63          1HD2      LEU  63  -6.629   3.322  10.506
  525   2HD2  LEU  63          2HD2      LEU  63  -6.587   4.372  11.922
  526   3HD2  LEU  63          3HD2      LEU  63  -5.366   4.542  10.661
  527    H    ILE  64           H        ILE  64  -6.421   2.797   6.160
  528    HA   ILE  64           HA       ILE  64  -7.015   4.597   3.971
  529    HB   ILE  64           HB       ILE  64  -5.378   2.050   3.916
  530   1HG1  ILE  64          2HG1      ILE  64  -4.402   3.641   5.492
  531   2HG1  ILE  64          1HG1      ILE  64  -3.408   3.535   4.046
  532   1HG2  ILE  64          1HG2      ILE  64  -5.489   4.382   1.998
  533   2HG2  ILE  64          2HG2      ILE  64  -6.147   2.772   1.713
  534   3HG2  ILE  64          3HG2      ILE  64  -4.406   2.995   1.871
  535   1HD1  ILE  64          1HD1      ILE  64  -5.365   5.729   4.684
  536   2HD1  ILE  64          2HD1      ILE  64  -4.374   5.622   3.230
  537   3HD1  ILE  64          3HD1      ILE  64  -3.607   5.827   4.806
  538    H    ILE  65           H        ILE  65  -8.240   1.760   5.358
  539    HA   ILE  65           HA       ILE  65  -9.594   0.667   3.111
  540    HB   ILE  65           HB       ILE  65 -10.128   0.530   6.075
  541   1HG1  ILE  65          2HG1      ILE  65  -8.216  -0.757   5.253
  542   2HG1  ILE  65          1HG1      ILE  65  -9.501  -1.831   5.790
  543   1HG2  ILE  65          1HG2      ILE  65 -11.901  -1.078   5.640
  544   2HG2  ILE  65          2HG2      ILE  65 -11.693  -0.853   3.902
  545   3HG2  ILE  65          3HG2      ILE  65 -12.273   0.480   4.898
  546   1HD1  ILE  65          1HD1      ILE  65  -8.909  -1.110   2.931
  547   2HD1  ILE  65          2HD1      ILE  65 -10.154  -2.228   3.489
  548   3HD1  ILE  65          3HD1      ILE  65  -8.448  -2.610   3.735
  549    H    LYS  66           H        LYS  66 -10.362   3.124   5.494
  550    HA   LYS  66           HA       LYS  66 -12.948   3.634   4.410
  551   1HB   LYS  66          2HB       LYS  66 -11.234   5.328   6.238
  552   2HB   LYS  66          1HB       LYS  66 -12.933   5.617   5.887
  553   1HG   LYS  66          2HG       LYS  66 -11.797   3.194   7.266
  554   2HG   LYS  66          1HG       LYS  66 -12.663   4.526   8.036
  555   1HD   LYS  66          2HD       LYS  66 -14.673   3.975   6.804
  556   2HD   LYS  66          1HD       LYS  66 -13.816   2.717   5.911
  557   1HE   LYS  66          2HE       LYS  66 -13.448   1.487   7.982
  558   2HE   LYS  66          1HE       LYS  66 -14.269   2.752   8.893
  559   1HZ   LYS  66          1HZ       LYS  66 -15.528   1.092   6.768
  560   2HZ   LYS  66          2HZ       LYS  66 -16.304   2.261   7.723
  561   3HZ   LYS  66          3HZ       LYS  66 -15.706   0.842   8.437
  562    H    LYS  67           H        LYS  67  -9.958   4.119   3.220
  563    HA   LYS  67           HA       LYS  67 -10.574   6.611   1.848
  564   1HB   LYS  67          2HB       LYS  67  -8.109   4.861   1.704
  565   2HB   LYS  67          1HB       LYS  67  -8.311   6.385   0.852
  566   1HG   LYS  67          2HG       LYS  67  -8.342   6.072   3.845
  567   2HG   LYS  67          1HG       LYS  67  -6.948   6.584   2.892
  568   1HD   LYS  67          2HD       LYS  67  -8.122   8.553   2.149
  569   2HD   LYS  67          1HD       LYS  67  -9.604   8.011   2.938
  570   1HE   LYS  67          2HE       LYS  67  -7.025   8.647   4.365
  571   2HE   LYS  67          1HE       LYS  67  -8.396   9.746   4.219
  572   1HZ   LYS  67          1HZ       LYS  67  -8.443   8.613   6.333
  573   2HZ   LYS  67          2HZ       LYS  67  -8.419   7.100   5.574
  574   3HZ   LYS  67          3HZ       LYS  67  -9.764   8.117   5.392
  575    H    VAL  68           H        VAL  68 -10.040   3.192   1.268
  576    HA   VAL  68           HA       VAL  68 -10.759   3.187  -1.466
  577    HB   VAL  68           HB       VAL  68 -11.203   0.989   0.578
  578   1HG1  VAL  68          1HG1      VAL  68 -11.149  -0.519  -1.357
  579   2HG1  VAL  68          2HG1      VAL  68 -11.053   0.880  -2.427
  580   3HG1  VAL  68          3HG1      VAL  68 -12.491   0.624  -1.438
  581   1HG2  VAL  68          1HG2      VAL  68  -9.092   0.060  -0.226
  582   2HG2  VAL  68          2HG2      VAL  68  -8.887   1.628   0.554
  583   3HG2  VAL  68          3HG2      VAL  68  -8.846   1.505  -1.206
  584    H    GLU  69           H        GLU  69 -12.450   3.303   1.541
  585    HA   GLU  69           HA       GLU  69 -15.003   2.492   0.617
  586   1HB   GLU  69          2HB       GLU  69 -14.208   2.390   2.987
  587   2HB   GLU  69          1HB       GLU  69 -14.308   4.145   3.048
  588   1HG   GLU  69          2HG       GLU  69 -16.254   3.206   4.068
  589   2HG   GLU  69          1HG       GLU  69 -16.699   3.994   2.554
  590    H    ARG  70           H        ARG  70 -13.207   5.338   0.273
  591    HA   ARG  70           HA       ARG  70 -15.470   7.133   0.174
  592   1HB   ARG  70          2HB       ARG  70 -13.337   7.956   1.033
  593   2HB   ARG  70          1HB       ARG  70 -12.559   7.581  -0.498
  594   1HG   ARG  70          2HG       ARG  70 -14.030   9.221  -1.612
  595   2HG   ARG  70          1HG       ARG  70 -14.707   9.638  -0.035
  596   1HD   ARG  70          2HD       ARG  70 -12.550  10.384   0.740
  597   2HD   ARG  70          1HD       ARG  70 -11.788   9.847  -0.757
  598    HE   ARG  70           HE       ARG  70 -13.886  11.908  -0.857
  599   1HH1  ARG  70          1HH1      ARG  70 -10.540  10.959  -1.286
  600   2HH1  ARG  70          2HH1      ARG  70 -10.097  12.414  -2.135
  601   1HH2  ARG  70          1HH2      ARG  70 -13.337  13.796  -1.988
  602   2HH2  ARG  70          2HH2      ARG  70 -11.702  14.032  -2.545
  603    H    LYS  71           H        LYS  71 -16.762   6.458  -1.494
  604    HA   LYS  71           HA       LYS  71 -15.619   6.854  -4.183
  605   1HB   LYS  71          2HB       LYS  71 -17.514   5.535  -5.064
  606   2HB   LYS  71          1HB       LYS  71 -16.519   4.599  -3.960
  607   1HG   LYS  71          2HG       LYS  71 -18.893   5.969  -2.829
  608   2HG   LYS  71          1HG       LYS  71 -19.169   4.571  -3.870
  609   1HD   LYS  71          2HD       LYS  71 -17.719   3.219  -2.457
  610   2HD   LYS  71          1HD       LYS  71 -17.389   4.619  -1.436
  611   1HE   LYS  71          2HE       LYS  71 -19.670   4.724  -0.726
  612   2HE   LYS  71          1HE       LYS  71 -20.147   3.494  -1.893
  613   1HZ   LYS  71          1HZ       LYS  71 -18.891   1.861  -0.693
  614   2HZ   LYS  71          2HZ       LYS  71 -19.930   2.646   0.395
  615   3HZ   LYS  71          3HZ       LYS  71 -18.281   3.027   0.371
  616    H    ASN  72           H        ASN  72 -16.761   8.661  -2.039
  617    HA   ASN  72           HA       ASN  72 -18.370  10.309  -3.781
  618   1HB   ASN  72          2HB       ASN  72 -20.226  10.510  -2.136
  619   2HB   ASN  72          1HB       ASN  72 -20.099   8.890  -2.810
  620   1HD2  ASN  72          1HD2      ASN  72 -19.794  10.840   0.032
  621   2HD2  ASN  72          2HD2      ASN  72 -19.584   9.544   1.159
  622    H    PHE  73           H        PHE  73 -18.216  12.443  -3.263
  623    HA   PHE  73           HA       PHE  73 -17.530  14.362  -2.291
  624   1HB   PHE  73          2HB       PHE  73 -17.855  12.693   0.203
  625   2HB   PHE  73          1HB       PHE  73 -17.422  14.398   0.248
  626    HD1  PHE  73           1HD      PHE  73 -19.033  16.099  -0.206
  627    HD2  PHE  73           2HD      PHE  73 -20.075  11.986  -0.588
  628    HE1  PHE  73           1HE      PHE  73 -21.413  16.715  -0.319
  629    HE2  PHE  73           2HE      PHE  73 -22.454  12.600  -0.708
  630    HZ   PHE  73           HZ       PHE  73 -23.125  14.967  -0.573
  Start of MODEL    6
    1   1H    PHE   1          1HT       PHE   1  22.345 -16.261  -8.694
    2   2H    PHE   1          2HT       PHE   1  22.447 -17.948  -8.519
    3   3H    PHE   1          3HT       PHE   1  23.855 -17.009  -8.503
    4    HA   PHE   1           HA       PHE   1  23.309 -17.682  -6.287
    5   1HB   PHE   1          2HB       PHE   1  24.381 -15.530  -6.506
    6   2HB   PHE   1          1HB       PHE   1  22.852 -14.752  -6.893
    7    HD1  PHE   1           1HD      PHE   1  21.860 -13.539  -5.237
    8    HD2  PHE   1           2HD      PHE   1  24.320 -16.838  -4.160
    9    HE1  PHE   1           1HE      PHE   1  21.505 -13.022  -2.859
   10    HE2  PHE   1           2HE      PHE   1  23.969 -16.326  -1.780
   11    HZ   PHE   1           HZ       PHE   1  22.561 -14.420  -1.125
   12    HA   PRO   2           HA       PRO   2  18.877 -18.157  -5.666
   13   1HB   PRO   2          2HB       PRO   2  19.642 -19.550  -3.222
   14   2HB   PRO   2          1HB       PRO   2  18.864 -20.195  -4.667
   15   1HG   PRO   2          2HG       PRO   2  21.404 -20.828  -3.961
   16   2HG   PRO   2          1HG       PRO   2  20.861 -20.767  -5.647
   17   1HD   PRO   2          2HD       PRO   2  22.397 -18.728  -4.075
   18   2HD   PRO   2          1HD       PRO   2  22.641 -19.279  -5.748
   19    H    MET   3           H        MET   3  17.810 -18.256  -3.111
   20    HA   MET   3           HA       MET   3  18.877 -15.979  -1.633
   21   1HB   MET   3          2HB       MET   3  17.275 -15.035  -3.296
   22   2HB   MET   3          1HB       MET   3  16.007 -16.026  -2.586
   23   1HG   MET   3          2HG       MET   3  15.859 -13.776  -1.750
   24   2HG   MET   3          1HG       MET   3  16.324 -14.868  -0.446
   25   1HE   MET   3          1HE       MET   3  18.213 -11.555   0.480
   26   2HE   MET   3          2HE       MET   3  17.094 -12.798   1.043
   27   3HE   MET   3          3HE       MET   3  16.615 -11.699  -0.251
   28    H    PHE   4           H        PHE   4  16.240 -18.324  -1.886
   29    HA   PHE   4           HA       PHE   4  15.273 -19.728  -0.410
   30   1HB   PHE   4          2HB       PHE   4  17.549 -20.430   0.160
   31   2HB   PHE   4          1HB       PHE   4  17.678 -19.117   1.325
   32    HD1  PHE   4           1HD      PHE   4  17.124 -19.493   3.539
   33    HD2  PHE   4           2HD      PHE   4  15.623 -22.124   0.550
   34    HE1  PHE   4           1HE      PHE   4  16.199 -20.947   5.290
   35    HE2  PHE   4           2HE      PHE   4  14.696 -23.586   2.299
   36    HZ   PHE   4           HZ       PHE   4  14.985 -22.996   4.673
   37    H    LYS   5           H        LYS   5  13.446 -18.639  -0.005
   38    HA   LYS   5           HA       LYS   5  11.845 -17.576   1.197
   39   1HB   LYS   5          2HB       LYS   5  13.878 -17.739   3.430
   40   2HB   LYS   5          1HB       LYS   5  12.204 -17.247   3.634
   41   1HG   LYS   5          2HG       LYS   5  11.463 -19.456   2.883
   42   2HG   LYS   5          1HG       LYS   5  13.147 -19.944   2.681
   43   1HD   LYS   5          2HD       LYS   5  12.272 -20.767   4.797
   44   2HD   LYS   5          1HD       LYS   5  13.535 -19.565   5.075
   45   1HE   LYS   5          2HE       LYS   5  11.776 -17.857   5.410
   46   2HE   LYS   5          1HE       LYS   5  10.556 -19.119   5.232
   47   1HZ   LYS   5          1HZ       LYS   5  11.560 -20.249   7.155
   48   2HZ   LYS   5          2HZ       LYS   5  10.962 -18.713   7.546
   49   3HZ   LYS   5          3HZ       LYS   5  12.633 -18.951   7.350
   50    H    ARG   6           H        ARG   6  11.958 -15.573   3.108
   51    HA   ARG   6           HA       ARG   6  12.344 -13.373   3.495
   52   1HB   ARG   6          2HB       ARG   6  14.763 -14.007   3.225
   53   2HB   ARG   6          1HB       ARG   6  14.636 -13.537   1.536
   54   1HG   ARG   6          2HG       ARG   6  15.639 -11.769   2.853
   55   2HG   ARG   6          1HG       ARG   6  14.076 -11.256   2.215
   56   1HD   ARG   6          2HD       ARG   6  14.432 -10.599   4.575
   57   2HD   ARG   6          1HD       ARG   6  13.026 -11.634   4.344
   58    HE   ARG   6           HE       ARG   6  15.103 -13.335   4.970
   59   1HH1  ARG   6          1HH1      ARG   6  13.553 -10.603   6.514
   60   2HH1  ARG   6          2HH1      ARG   6  13.828 -11.191   8.124
   61   1HH2  ARG   6          1HH2      ARG   6  15.441 -14.128   7.069
   62   2HH2  ARG   6          2HH2      ARG   6  14.890 -13.211   8.443
   63    H    GLY   7           H        GLY   7  12.870 -14.095   0.037
   64   1HA   GLY   7          2HA       GLY   7  11.346 -11.702  -0.677
   65   2HA   GLY   7          1HA       GLY   7  12.246 -12.728  -1.783
   66    H    ARG   8           H        ARG   8   9.329 -12.519   0.168
   67    HA   ARG   8           HA       ARG   8   7.982 -14.270  -1.777
   68   1HB   ARG   8          2HB       ARG   8   7.738 -14.303   1.236
   69   2HB   ARG   8          1HB       ARG   8   6.597 -15.104   0.164
   70   1HG   ARG   8          2HG       ARG   8   9.510 -15.708  -0.060
   71   2HG   ARG   8          1HG       ARG   8   8.550 -16.443   1.227
   72   1HD   ARG   8          2HD       ARG   8   7.830 -16.573  -1.699
   73   2HD   ARG   8          1HD       ARG   8   8.742 -17.822  -0.848
   74    HE   ARG   8           HE       ARG   8   5.908 -17.242  -0.606
   75   1HH1  ARG   8          1HH1      ARG   8   8.705 -18.928   0.660
   76   2HH1  ARG   8          2HH1      ARG   8   7.774 -20.005   1.662
   77   1HH2  ARG   8          1HH2      ARG   8   4.667 -18.644   0.709
   78   2HH2  ARG   8          2HH2      ARG   8   5.470 -19.823   1.702
   79    H    CYS   9           H        CYS   9   7.163 -12.295   1.053
   80    HA   CYS   9           HA       CYS   9   5.417 -10.652  -0.646
   81   1HB   CYS   9          2HB       CYS   9   4.691 -11.669   2.126
   82   2HB   CYS   9          1HB       CYS   9   3.690 -10.647   1.089
   83    H    LEU  10           H        LEU  10   8.072 -10.251   0.180
   84    HA   LEU  10           HA       LEU  10   8.468  -8.706   2.461
   85   1HB   LEU  10          2HB       LEU  10  10.280  -9.633   1.096
   86   2HB   LEU  10          1HB       LEU  10   9.853  -8.557  -0.217
   87    HG   LEU  10           HG       LEU  10  10.432  -6.623   1.267
   88   1HD1  LEU  10          1HD1      LEU  10  11.534  -8.791   3.047
   89   2HD1  LEU  10          2HD1      LEU  10  10.177  -7.731   3.417
   90   3HD1  LEU  10          3HD1      LEU  10  11.798  -7.059   3.247
   91   1HD2  LEU  10          1HD2      LEU  10  11.982  -7.434  -0.418
   92   2HD2  LEU  10          2HD2      LEU  10  12.615  -8.628   0.714
   93   3HD2  LEU  10          3HD2      LEU  10  12.853  -6.908   1.022
   94    H    CYS  11           H        CYS  11   7.846  -6.707   2.997
   95    HA   CYS  11           HA       CYS  11   7.007  -4.910   0.848
   96   1HB   CYS  11          2HB       CYS  11   5.353  -5.910   3.111
   97   2HB   CYS  11          1HB       CYS  11   5.088  -4.273   2.520
   98    H    ILE  12           H        ILE  12   7.525  -2.937   1.020
   99    HA   ILE  12           HA       ILE  12   7.874  -1.607   3.584
  100    HB   ILE  12           HB       ILE  12  10.174  -2.324   2.820
  101   1HG1  ILE  12          2HG1      ILE  12   9.686   0.666   2.738
  102   2HG1  ILE  12          1HG1      ILE  12   9.840  -0.294   4.204
  103   1HG2  ILE  12          1HG2      ILE  12   9.545  -0.531   0.474
  104   2HG2  ILE  12          2HG2      ILE  12   9.820  -2.273   0.431
  105   3HG2  ILE  12          3HG2      ILE  12  11.142  -1.183   0.851
  106   1HD1  ILE  12          1HD1      ILE  12  11.892   0.901   3.707
  107   2HD1  ILE  12          2HD1      ILE  12  11.985   0.109   2.133
  108   3HD1  ILE  12          3HD1      ILE  12  12.135  -0.844   3.608
  109    H    GLY  13           H        GLY  13   7.700   0.844   3.145
  110   1HA   GLY  13          2HA       GLY  13   5.566   1.225   1.305
  111   2HA   GLY  13          1HA       GLY  13   6.373   2.493   2.181
  112    HA   PRO  14           HA       PRO  14   8.189   2.183  -2.202
  113   1HB   PRO  14          2HB       PRO  14   6.642   0.851  -3.957
  114   2HB   PRO  14          1HB       PRO  14   7.711   0.006  -2.831
  115   1HG   PRO  14          2HG       PRO  14   4.782   0.194  -2.842
  116   2HG   PRO  14          1HG       PRO  14   5.825  -0.978  -2.026
  117   1HD   PRO  14          2HD       PRO  14   4.576   1.411  -0.928
  118   2HD   PRO  14          1HD       PRO  14   5.456   0.128  -0.091
  119    H    GLY  15           H        GLY  15   6.436   4.196  -1.163
  120   1HA   GLY  15          2HA       GLY  15   5.586   5.498  -3.562
  121   2HA   GLY  15          1HA       GLY  15   4.216   4.865  -2.665
  122    H    VAL  16           H        VAL  16   3.241   6.460  -1.597
  123    HA   VAL  16           HA       VAL  16   4.897   8.379  -0.132
  124    HB   VAL  16           HB       VAL  16   3.608  10.309  -0.954
  125   1HG1  VAL  16          1HG1      VAL  16   4.628  10.463  -3.188
  126   2HG1  VAL  16          2HG1      VAL  16   4.970   8.733  -3.135
  127   3HG1  VAL  16          3HG1      VAL  16   5.748   9.822  -1.985
  128   1HG2  VAL  16          1HG2      VAL  16   2.227  10.106  -2.984
  129   2HG2  VAL  16          2HG2      VAL  16   1.557   9.204  -1.624
  130   3HG2  VAL  16          3HG2      VAL  16   2.408   8.352  -2.910
  131    H    LYS  17           H        LYS  17   2.866  10.098   0.698
  132    HA   LYS  17           HA       LYS  17   1.521   8.259   2.518
  133   1HB   LYS  17          2HB       LYS  17   1.178  10.211   3.963
  134   2HB   LYS  17          1HB       LYS  17   2.871   9.973   3.566
  135   1HG   LYS  17          2HG       LYS  17   2.734  11.762   1.905
  136   2HG   LYS  17          1HG       LYS  17   1.030  11.993   2.299
  137   1HD   LYS  17          2HD       LYS  17   3.312  12.299   4.250
  138   2HD   LYS  17          1HD       LYS  17   2.509  13.634   3.417
  139   1HE   LYS  17          2HE       LYS  17   0.418  13.101   4.493
  140   2HE   LYS  17          1HE       LYS  17   1.120  11.663   5.232
  141   1HZ   LYS  17          1HZ       LYS  17   2.089  14.420   5.758
  142   2HZ   LYS  17          2HZ       LYS  17   2.515  13.002   6.586
  143   3HZ   LYS  17          3HZ       LYS  17   0.944  13.627   6.724
  144    H    ALA  18           H        ALA  18   0.747  10.396  -0.097
  145    HA   ALA  18           HA       ALA  18  -1.971   9.600  -0.073
  146   1HB   ALA  18          1HB       ALA  18  -1.477  12.451   0.767
  147   2HB   ALA  18          2HB       ALA  18  -2.086  11.161   1.805
  148   3HB   ALA  18          3HB       ALA  18  -3.047  11.718   0.435
  149    H    VAL  19           H        VAL  19  -2.745   9.697  -2.043
  150    HA   VAL  19           HA       VAL  19  -1.975  11.956  -3.785
  151    HB   VAL  19           HB       VAL  19  -2.508  10.493  -5.739
  152   1HG1  VAL  19          1HG1      VAL  19  -0.253   9.529  -3.983
  153   2HG1  VAL  19          2HG1      VAL  19  -0.197  10.919  -5.067
  154   3HG1  VAL  19          3HG1      VAL  19  -0.384   9.293  -5.726
  155   1HG2  VAL  19          1HG2      VAL  19  -2.513   8.070  -5.420
  156   2HG2  VAL  19          2HG2      VAL  19  -3.865   8.837  -4.586
  157   3HG2  VAL  19          3HG2      VAL  19  -2.456   8.302  -3.671
  158    H    LYS  20           H        LYS  20  -4.149  10.776  -5.646
  159    HA   LYS  20           HA       LYS  20  -6.319  12.267  -4.478
  160   1HB   LYS  20          2HB       LYS  20  -5.888  12.220  -6.931
  161   2HB   LYS  20          1HB       LYS  20  -6.344  10.520  -6.946
  162   1HG   LYS  20          2HG       LYS  20  -8.186  11.916  -7.685
  163   2HG   LYS  20          1HG       LYS  20  -8.585  11.112  -6.166
  164   1HD   LYS  20          2HD       LYS  20  -9.322  13.414  -6.080
  165   2HD   LYS  20          1HD       LYS  20  -7.982  13.184  -4.954
  166   1HE   LYS  20          2HE       LYS  20  -7.690  15.262  -6.161
  167   2HE   LYS  20          1HE       LYS  20  -6.441  14.114  -6.637
  168   1HZ   LYS  20          1HZ       LYS  20  -7.687  13.619  -8.635
  169   2HZ   LYS  20          2HZ       LYS  20  -7.361  15.279  -8.542
  170   3HZ   LYS  20          3HZ       LYS  20  -8.915  14.700  -8.178
  171    H    VAL  21           H        VAL  21  -7.269  11.393  -2.784
  172    HA   VAL  21           HA       VAL  21  -7.057   8.615  -2.170
  173    HB   VAL  21           HB       VAL  21  -8.238   9.237  -0.085
  174   1HG1  VAL  21          1HG1      VAL  21  -5.821   9.450  -0.212
  175   2HG1  VAL  21          2HG1      VAL  21  -6.500  10.751   0.768
  176   3HG1  VAL  21          3HG1      VAL  21  -5.982  11.072  -0.886
  177   1HG2  VAL  21          1HG2      VAL  21  -8.358  11.983  -1.338
  178   2HG2  VAL  21          2HG2      VAL  21  -8.754  11.605   0.338
  179   3HG2  VAL  21          3HG2      VAL  21  -9.735  10.943  -0.969
  180    H    ALA  22           H        ALA  22  -8.865   9.513  -4.419
  181    HA   ALA  22           HA       ALA  22 -10.951   7.606  -3.800
  182   1HB   ALA  22          1HB       ALA  22 -12.779   9.058  -4.492
  183   2HB   ALA  22          2HB       ALA  22 -11.651  10.394  -4.716
  184   3HB   ALA  22          3HB       ALA  22 -11.937   9.744  -3.102
  185    H    ASP  23           H        ASP  23  -8.572   8.191  -5.625
  186    HA   ASP  23           HA       ASP  23  -9.923   7.436  -8.135
  187   1HB   ASP  23          2HB       ASP  23  -8.810   9.877  -7.879
  188   2HB   ASP  23          1HB       ASP  23  -7.371   8.958  -8.294
  189    H    ILE  24           H        ILE  24  -6.736   7.782  -6.680
  190    HA   ILE  24           HA       ILE  24  -6.122   4.990  -7.264
  191    HB   ILE  24           HB       ILE  24  -3.670   6.284  -7.497
  192   1HG1  ILE  24          2HG1      ILE  24  -4.124   7.799  -9.504
  193   2HG1  ILE  24          1HG1      ILE  24  -5.803   7.833  -8.976
  194   1HG2  ILE  24          1HG2      ILE  24  -4.378   4.292  -8.665
  195   2HG2  ILE  24          2HG2      ILE  24  -3.789   5.486  -9.819
  196   3HG2  ILE  24          3HG2      ILE  24  -5.523   5.224  -9.628
  197   1HD1  ILE  24          1HD1      ILE  24  -5.084   8.771  -6.828
  198   2HD1  ILE  24          2HD1      ILE  24  -4.628   9.788  -8.195
  199   3HD1  ILE  24          3HD1      ILE  24  -3.418   8.777  -7.407
  200    H    GLU  25           H        GLU  25  -3.877   4.567  -6.065
  201    HA   GLU  25           HA       GLU  25  -3.386   3.838  -4.018
  202   1HB   GLU  25          2HB       GLU  25  -2.518   6.040  -3.692
  203   2HB   GLU  25          1HB       GLU  25  -4.122   6.691  -3.378
  204   1HG   GLU  25          2HG       GLU  25  -4.254   5.432  -1.300
  205   2HG   GLU  25          1HG       GLU  25  -2.676   4.718  -1.617
  206    H    LYS  26           H        LYS  26  -5.105   2.518  -4.500
  207    HA   LYS  26           HA       LYS  26  -7.333   2.744  -2.635
  208   1HB   LYS  26          2HB       LYS  26  -8.764   1.584  -4.344
  209   2HB   LYS  26          1HB       LYS  26  -8.315   3.228  -4.770
  210   1HG   LYS  26          2HG       LYS  26  -6.784   2.501  -6.398
  211   2HG   LYS  26          1HG       LYS  26  -6.813   0.842  -5.794
  212   1HD   LYS  26          2HD       LYS  26  -9.146   0.622  -6.491
  213   2HD   LYS  26          1HD       LYS  26  -9.133   2.284  -7.084
  214   1HE   LYS  26          2HE       LYS  26  -7.533   1.736  -8.775
  215   2HE   LYS  26          1HE       LYS  26  -7.285   0.129  -8.092
  216   1HZ   LYS  26          1HZ       LYS  26  -9.888   1.059  -9.181
  217   2HZ   LYS  26          2HZ       LYS  26  -9.462  -0.522  -8.738
  218   3HZ   LYS  26          3HZ       LYS  26  -8.743   0.201 -10.093
  219    H    ALA  27           H        ALA  27  -6.429   1.442  -1.215
  220    HA   ALA  27           HA       ALA  27  -5.163  -1.025  -1.978
  221   1HB   ALA  27          1HB       ALA  27  -4.004  -0.365  -0.230
  222   2HB   ALA  27          2HB       ALA  27  -5.307  -1.051   0.741
  223   3HB   ALA  27          3HB       ALA  27  -5.289   0.677   0.374
  224    H    SER  28           H        SER  28  -6.128  -2.840  -2.161
  225    HA   SER  28           HA       SER  28  -8.557  -3.423  -0.654
  226   1HB   SER  28          2HB       SER  28  -8.781  -2.188  -2.975
  227   2HB   SER  28          1HB       SER  28  -8.597  -3.827  -3.592
  228    HG   SER  28           HG       SER  28 -10.573  -2.918  -1.759
  229    H    ILE  29           H        ILE  29  -6.581  -4.836   0.032
  230    HA   ILE  29           HA       ILE  29  -7.595  -7.410  -0.595
  231    HB   ILE  29           HB       ILE  29  -5.934  -7.569  -2.275
  232   1HG1  ILE  29          2HG1      ILE  29  -4.778  -8.830   0.214
  233   2HG1  ILE  29          1HG1      ILE  29  -6.051  -9.519  -0.789
  234   1HG2  ILE  29          1HG2      ILE  29  -4.636  -5.599  -1.626
  235   2HG2  ILE  29          2HG2      ILE  29  -3.608  -6.986  -1.986
  236   3HG2  ILE  29          3HG2      ILE  29  -3.912  -6.525  -0.311
  237   1HD1  ILE  29          1HD1      ILE  29  -3.881 -10.533  -1.242
  238   2HD1  ILE  29          2HD1      ILE  29  -3.235  -8.953  -1.684
  239   3HD1  ILE  29          3HD1      ILE  29  -4.509  -9.687  -2.656
  240    H    MET  30           H        MET  30  -8.009  -8.086   1.454
  241    HA   MET  30           HA       MET  30  -5.890  -7.488   3.405
  242   1HB   MET  30          2HB       MET  30  -8.092  -6.584   3.981
  243   2HB   MET  30          1HB       MET  30  -8.778  -8.211   3.938
  244   1HG   MET  30          2HG       MET  30  -8.398  -7.588   6.216
  245   2HG   MET  30          1HG       MET  30  -7.248  -8.851   5.780
  246   1HE   MET  30          1HE       MET  30  -7.049  -5.054   4.735
  247   2HE   MET  30          2HE       MET  30  -6.143  -4.378   6.089
  248   3HE   MET  30          3HE       MET  30  -7.768  -5.010   6.346
  249    H    TYR  31           H        TYR  31  -4.646  -9.111   2.535
  250    HA   TYR  31           HA       TYR  31  -5.257 -11.822   3.373
  251   1HB   TYR  31          2HB       TYR  31  -4.909 -11.006   0.481
  252   2HB   TYR  31          1HB       TYR  31  -4.723 -12.653   1.025
  253    HD1  TYR  31           1HD      TYR  31  -6.999 -10.171  -0.115
  254    HD2  TYR  31           2HD      TYR  31  -6.762 -13.772   2.131
  255    HE1  TYR  31           1HE      TYR  31  -9.402 -10.536  -0.465
  256    HE2  TYR  31           2HE      TYR  31  -9.171 -14.147   1.792
  257    HH   TYR  31           HH       TYR  31 -11.182 -12.923   1.254
  258    HA   PRO  32           HA       PRO  32  -0.737 -11.919   3.677
  259   1HB   PRO  32          2HB       PRO  32  -0.402 -14.598   3.561
  260   2HB   PRO  32          1HB       PRO  32  -1.023 -13.776   4.998
  261   1HG   PRO  32          2HG       PRO  32  -2.549 -15.147   2.806
  262   2HG   PRO  32          1HG       PRO  32  -2.715 -15.334   4.565
  263   1HD   PRO  32          2HD       PRO  32  -4.386 -13.748   3.201
  264   2HD   PRO  32          1HD       PRO  32  -3.784 -13.267   4.801
  265    H    SER  33           H        SER  33  -1.743 -11.322   1.062
  266    HA   SER  33           HA       SER  33  -1.369 -11.510  -1.168
  267   1HB   SER  33          2HB       SER  33   1.263 -12.465  -0.037
  268   2HB   SER  33          1HB       SER  33   1.003 -12.273  -1.776
  269    HG   SER  33           HG       SER  33   0.908 -10.319   0.271
  270    H    ASN  34           H        ASN  34  -2.249 -13.913   0.519
  271    HA   ASN  34           HA       ASN  34  -2.773 -16.103   0.336
  272   1HB   ASN  34          2HB       ASN  34  -2.968 -15.212  -2.543
  273   2HB   ASN  34          1HB       ASN  34  -3.447 -16.823  -2.018
  274   1HD2  ASN  34          1HD2      ASN  34  -5.583 -16.451  -2.634
  275   2HD2  ASN  34          2HD2      ASN  34  -6.639 -15.425  -1.714
  276    H    ASN  35           H        ASN  35   0.116 -15.423   0.217
  277    HA   ASN  35           HA       ASN  35   0.990 -18.029  -0.826
  278   1HB   ASN  35          2HB       ASN  35   1.438 -16.351  -2.611
  279   2HB   ASN  35          1HB       ASN  35   2.378 -15.405  -1.465
  280   1HD2  ASN  35          1HD2      ASN  35   2.246 -18.353  -3.331
  281   2HD2  ASN  35          2HD2      ASN  35   3.936 -18.724  -3.221
  282    H    CYS  36           H        CYS  36   0.612 -16.147   1.684
  283    HA   CYS  36           HA       CYS  36   3.212 -16.678   2.913
  284   1HB   CYS  36          2HB       CYS  36   1.981 -14.027   2.296
  285   2HB   CYS  36          1HB       CYS  36   3.057 -14.196   3.696
  286    H    ASP  37           H        ASP  37   3.108 -15.570   5.211
  287    HA   ASP  37           HA       ASP  37   0.480 -16.183   6.401
  288   1HB   ASP  37          2HB       ASP  37   3.253 -16.561   7.545
  289   2HB   ASP  37          1HB       ASP  37   1.791 -16.612   8.525
  290    H    LYS  38           H        LYS  38   1.872 -13.726   5.283
  291    HA   LYS  38           HA       LYS  38   1.427 -12.008   7.620
  292   1HB   LYS  38          2HB       LYS  38   3.147 -10.521   6.918
  293   2HB   LYS  38          1HB       LYS  38   3.855 -12.126   6.838
  294   1HG   LYS  38          2HG       LYS  38   3.723 -12.176   4.479
  295   2HG   LYS  38          1HG       LYS  38   2.619 -10.801   4.463
  296   1HD   LYS  38          2HD       LYS  38   5.495 -10.664   5.365
  297   2HD   LYS  38          1HD       LYS  38   4.933 -10.231   3.749
  298   1HE   LYS  38          2HE       LYS  38   4.199  -8.913   6.362
  299   2HE   LYS  38          1HE       LYS  38   5.142  -8.220   5.045
  300   1HZ   LYS  38          1HZ       LYS  38   2.249  -8.861   5.051
  301   2HZ   LYS  38          2HZ       LYS  38   3.093  -8.487   3.635
  302   3HZ   LYS  38          3HZ       LYS  38   2.968  -7.340   4.885
  303    H    ILE  39           H        ILE  39   0.048 -10.368   7.233
  304    HA   ILE  39           HA       ILE  39  -1.384 -10.576   4.695
  305    HB   ILE  39           HB       ILE  39  -3.250  -9.449   5.786
  306   1HG1  ILE  39          2HG1      ILE  39  -1.570  -9.503   8.309
  307   2HG1  ILE  39          1HG1      ILE  39  -1.890  -8.057   7.358
  308   1HG2  ILE  39          1HG2      ILE  39  -2.184 -11.756   7.406
  309   2HG2  ILE  39          2HG2      ILE  39  -3.093 -11.874   5.899
  310   3HG2  ILE  39          3HG2      ILE  39  -3.864 -11.221   7.345
  311   1HD1  ILE  39          1HD1      ILE  39  -3.963  -9.732   8.758
  312   2HD1  ILE  39          2HD1      ILE  39  -4.270  -8.265   7.828
  313   3HD1  ILE  39          3HD1      ILE  39  -3.328  -8.186   9.317
  314    H    GLU  40           H        GLU  40  -1.664  -8.835   3.347
  315    HA   GLU  40           HA       GLU  40  -0.886  -6.188   4.246
  316   1HB   GLU  40          2HB       GLU  40   0.598  -5.782   2.341
  317   2HB   GLU  40          1HB       GLU  40   1.232  -7.036   3.401
  318   1HG   GLU  40          2HG       GLU  40  -0.458  -7.923   1.149
  319   2HG   GLU  40          1HG       GLU  40   1.145  -7.268   0.743
  320    H    VAL  41           H        VAL  41  -1.330  -4.566   2.614
  321    HA   VAL  41           HA       VAL  41  -3.700  -5.310   1.052
  322    HB   VAL  41           HB       VAL  41  -3.578  -3.604   3.119
  323   1HG1  VAL  41          1HG1      VAL  41  -2.017  -2.078   2.097
  324   2HG1  VAL  41          2HG1      VAL  41  -3.581  -1.290   2.296
  325   3HG1  VAL  41          3HG1      VAL  41  -3.083  -1.867   0.707
  326   1HG2  VAL  41          1HG2      VAL  41  -5.303  -3.314   0.684
  327   2HG2  VAL  41          2HG2      VAL  41  -5.669  -2.660   2.281
  328   3HG2  VAL  41          3HG2      VAL  41  -5.569  -4.413   2.043
  329    H    ILE  42           H        ILE  42  -4.003  -3.939  -1.021
  330    HA   ILE  42           HA       ILE  42  -1.326  -3.244  -2.057
  331    HB   ILE  42           HB       ILE  42  -3.573  -4.556  -3.596
  332   1HG1  ILE  42          2HG1      ILE  42  -2.259  -6.135  -2.246
  333   2HG1  ILE  42          1HG1      ILE  42  -1.922  -6.362  -3.958
  334   1HG2  ILE  42          1HG2      ILE  42  -0.929  -3.426  -4.518
  335   2HG2  ILE  42          2HG2      ILE  42  -2.545  -2.911  -5.010
  336   3HG2  ILE  42          3HG2      ILE  42  -1.938  -4.496  -5.495
  337   1HD1  ILE  42          1HD1      ILE  42   0.165  -5.138  -3.717
  338   2HD1  ILE  42          2HD1      ILE  42   0.099  -6.510  -2.611
  339   3HD1  ILE  42          3HD1      ILE  42  -0.178  -4.876  -2.009
  340    H    ILE  43           H        ILE  43  -1.203  -1.183  -2.276
  341    HA   ILE  43           HA       ILE  43  -3.547   0.310  -3.224
  342    HB   ILE  43           HB       ILE  43  -1.305   1.892  -2.214
  343   1HG1  ILE  43          2HG1      ILE  43  -2.995   0.461  -0.149
  344   2HG1  ILE  43          1HG1      ILE  43  -1.344  -0.019  -0.539
  345   1HG2  ILE  43          1HG2      ILE  43  -3.154   3.113  -1.186
  346   2HG2  ILE  43          2HG2      ILE  43  -4.266   1.840  -1.703
  347   3HG2  ILE  43          3HG2      ILE  43  -3.409   2.814  -2.907
  348   1HD1  ILE  43          1HD1      ILE  43  -0.590   2.270   0.079
  349   2HD1  ILE  43          2HD1      ILE  43  -1.301   1.362   1.419
  350   3HD1  ILE  43          3HD1      ILE  43  -2.238   2.618   0.612
  351    H    THR  44           H        THR  44  -2.995   2.140  -4.611
  352    HA   THR  44           HA       THR  44  -0.414   1.990  -5.925
  353    HB   THR  44           HB       THR  44  -1.437   0.555  -7.369
  354    HG1  THR  44           1HG      THR  44  -1.701   3.212  -8.258
  355   1HG2  THR  44          1HG2      THR  44  -3.697   0.642  -6.462
  356   2HG2  THR  44          2HG2      THR  44  -3.740   0.754  -8.221
  357   3HG2  THR  44          3HG2      THR  44  -3.962   2.203  -7.240
  358    H    LEU  45           H        LEU  45   0.072   4.044  -5.231
  359    HA   LEU  45           HA       LEU  45  -1.906   6.120  -5.625
  360   1HB   LEU  45          2HB       LEU  45   0.145   7.491  -4.593
  361   2HB   LEU  45          1HB       LEU  45  -1.048   6.656  -3.622
  362    HG   LEU  45           HG       LEU  45   0.599   4.674  -3.695
  363   1HD1  LEU  45          1HD1      LEU  45   2.953   5.323  -3.880
  364   2HD1  LEU  45          2HD1      LEU  45   2.464   6.940  -4.388
  365   3HD1  LEU  45          3HD1      LEU  45   2.096   5.548  -5.405
  366   1HD2  LEU  45          1HD2      LEU  45   0.050   5.913  -1.693
  367   2HD2  LEU  45          2HD2      LEU  45   1.172   7.196  -2.148
  368   3HD2  LEU  45          3HD2      LEU  45   1.784   5.593  -1.742
  369    H    LYS  46           H        LYS  46  -1.896   6.020  -7.815
  370    HA   LYS  46           HA       LYS  46   0.122   7.525  -9.163
  371   1HB   LYS  46          2HB       LYS  46   0.659   4.832  -8.944
  372   2HB   LYS  46          1HB       LYS  46  -0.071   4.966 -10.537
  373   1HG   LYS  46          2HG       LYS  46   2.344   6.463  -9.541
  374   2HG   LYS  46          1HG       LYS  46   2.332   5.129 -10.693
  375   1HD   LYS  46          2HD       LYS  46   0.948   6.541 -12.211
  376   2HD   LYS  46          1HD       LYS  46   1.155   7.879 -11.080
  377   1HE   LYS  46          2HE       LYS  46   3.587   7.739 -11.375
  378   2HE   LYS  46          1HE       LYS  46   3.366   6.420 -12.524
  379   1HZ   LYS  46          1HZ       LYS  46   2.690   9.274 -12.834
  380   2HZ   LYS  46          2HZ       LYS  46   1.904   8.101 -13.769
  381   3HZ   LYS  46          3HZ       LYS  46   3.589   8.271 -13.871
  382    H    GLU  47           H        GLU  47  -1.442   4.991 -10.841
  383    HA   GLU  47           HA       GLU  47  -3.875   6.205 -11.556
  384   1HB   GLU  47          2HB       GLU  47  -3.291   6.770 -13.920
  385   2HB   GLU  47          1HB       GLU  47  -2.520   7.826 -12.745
  386   1HG   GLU  47          2HG       GLU  47  -0.495   6.286 -12.955
  387   2HG   GLU  47          1HG       GLU  47  -1.292   5.648 -14.394
  388    H    ASN  48           H        ASN  48  -3.504   3.808 -10.667
  389    HA   ASN  48           HA       ASN  48  -3.548   1.554 -10.934
  390   1HB   ASN  48          2HB       ASN  48  -4.068   2.145 -13.863
  391   2HB   ASN  48          1HB       ASN  48  -4.289   0.591 -13.070
  392   1HD2  ASN  48          1HD2      ASN  48  -5.500   1.560 -10.683
  393   2HD2  ASN  48          2HD2      ASN  48  -7.074   2.152 -11.105
  394    H    LYS  49           H        LYS  49  -1.269   1.637 -10.382
  395    HA   LYS  49           HA       LYS  49   0.533   0.687 -12.367
  396   1HB   LYS  49          2HB       LYS  49   0.296   3.003 -13.146
  397   2HB   LYS  49          1HB       LYS  49   0.852   3.555 -11.571
  398   1HG   LYS  49          2HG       LYS  49   2.634   3.610 -13.230
  399   2HG   LYS  49          1HG       LYS  49   2.987   2.490 -11.917
  400   1HD   LYS  49          2HD       LYS  49   2.230   0.626 -13.338
  401   2HD   LYS  49          1HD       LYS  49   1.929   1.763 -14.650
  402   1HE   LYS  49          2HE       LYS  49   4.047   0.664 -15.003
  403   2HE   LYS  49          1HE       LYS  49   4.318   2.366 -14.638
  404   1HZ   LYS  49          1HZ       LYS  49   4.581   0.140 -12.679
  405   2HZ   LYS  49          2HZ       LYS  49   4.908   1.778 -12.385
  406   3HZ   LYS  49          3HZ       LYS  49   5.869   0.905 -13.474
  407    H    GLY  50           H        GLY  50   0.546   2.717  -9.412
  408   1HA   GLY  50          2HA       GLY  50   3.199   1.792  -8.802
  409   2HA   GLY  50          1HA       GLY  50   2.244   2.933  -7.868
  410    H    GLN  51           H        GLN  51   3.777   0.940  -6.697
  411    HA   GLN  51           HA       GLN  51   1.677  -0.854  -5.693
  412   1HB   GLN  51          2HB       GLN  51   3.588  -2.192  -4.731
  413   2HB   GLN  51          1HB       GLN  51   3.470  -2.204  -6.485
  414   1HG   GLN  51          2HG       GLN  51   5.288  -0.667  -6.682
  415   2HG   GLN  51          1HG       GLN  51   5.316  -0.399  -4.940
  416   1HE2  GLN  51          1HE2      GLN  51   7.408  -1.343  -6.765
  417   2HE2  GLN  51          2HE2      GLN  51   7.920  -2.875  -6.135
  418    H    ARG  52           H        ARG  52   1.137  -0.893  -3.693
  419    HA   ARG  52           HA       ARG  52   2.727   0.444  -1.681
  420   1HB   ARG  52          2HB       ARG  52  -0.123   1.250  -2.399
  421   2HB   ARG  52          1HB       ARG  52   0.592   1.556  -0.821
  422   1HG   ARG  52          2HG       ARG  52   1.690   2.593  -3.415
  423   2HG   ARG  52          1HG       ARG  52   0.619   3.474  -2.330
  424   1HD   ARG  52          2HD       ARG  52   3.302   2.364  -1.528
  425   2HD   ARG  52          1HD       ARG  52   3.027   4.032  -2.028
  426    HE   ARG  52           HE       ARG  52   1.246   3.476   0.041
  427   1HH1  ARG  52          1HH1      ARG  52   4.690   3.723  -0.430
  428   2HH1  ARG  52          2HH1      ARG  52   5.019   4.258   1.189
  429   1HH2  ARG  52          1HH2      ARG  52   1.665   4.135   2.201
  430   2HH2  ARG  52          2HH2      ARG  52   3.300   4.459   2.699
  431    H    CYS  53           H        CYS  53   3.035  -1.639  -0.779
  432    HA   CYS  53           HA       CYS  53   0.551  -2.758   0.287
  433   1HB   CYS  53          2HB       CYS  53   1.879  -4.817   0.794
  434   2HB   CYS  53          1HB       CYS  53   1.727  -4.452  -0.918
  435    H    LEU  54           H        LEU  54   0.311  -1.248   1.901
  436    HA   LEU  54           HA       LEU  54   2.576  -0.693   3.625
  437   1HB   LEU  54          2HB       LEU  54   1.202   1.150   2.728
  438   2HB   LEU  54          1HB       LEU  54  -0.183   0.529   3.606
  439    HG   LEU  54           HG       LEU  54   0.989   0.956   5.737
  440   1HD1  LEU  54          1HD1      LEU  54   3.283   0.739   4.999
  441   2HD1  LEU  54          2HD1      LEU  54   3.033   2.326   5.726
  442   3HD1  LEU  54          3HD1      LEU  54   3.115   2.162   3.972
  443   1HD2  LEU  54          1HD2      LEU  54   0.834   3.394   5.664
  444   2HD2  LEU  54          2HD2      LEU  54  -0.516   2.631   4.822
  445   3HD2  LEU  54          3HD2      LEU  54   0.811   3.341   3.901
  446    H    ASN  55           H        ASN  55   2.429  -2.981   4.408
  447    HA   ASN  55           HA       ASN  55   1.491  -2.694   7.083
  448   1HB   ASN  55          2HB       ASN  55  -0.577  -3.598   6.019
  449   2HB   ASN  55          1HB       ASN  55   0.339  -5.038   5.563
  450   1HD2  ASN  55          1HD2      ASN  55  -0.873  -6.428   6.855
  451   2HD2  ASN  55          2HD2      ASN  55  -0.760  -6.408   8.586
  452    HA   PRO  56           HA       PRO  56   5.081  -5.448   7.140
  453   1HB   PRO  56          2HB       PRO  56   6.293  -3.597   8.965
  454   2HB   PRO  56          1HB       PRO  56   6.816  -4.004   7.330
  455   1HG   PRO  56          2HG       PRO  56   5.839  -1.541   8.089
  456   2HG   PRO  56          1HG       PRO  56   5.830  -2.162   6.429
  457   1HD   PRO  56          2HD       PRO  56   3.612  -2.098   8.442
  458   2HD   PRO  56          1HD       PRO  56   3.556  -1.797   6.691
  459    H    LYS  57           H        LYS  57   2.986  -3.787   9.304
  460    HA   LYS  57           HA       LYS  57   2.584  -5.842  11.131
  461   1HB   LYS  57          2HB       LYS  57   3.774  -4.937  13.118
  462   2HB   LYS  57          1HB       LYS  57   4.873  -5.504  11.867
  463   1HG   LYS  57          2HG       LYS  57   5.135  -3.157  11.107
  464   2HG   LYS  57          1HG       LYS  57   4.148  -2.641  12.472
  465   1HD   LYS  57          2HD       LYS  57   6.426  -2.348  13.095
  466   2HD   LYS  57          1HD       LYS  57   5.823  -3.749  13.978
  467   1HE   LYS  57          2HE       LYS  57   7.287  -4.024  11.368
  468   2HE   LYS  57          1HE       LYS  57   8.141  -3.917  12.905
  469   1HZ   LYS  57          1HZ       LYS  57   6.971  -5.883  13.667
  470   2HZ   LYS  57          2HZ       LYS  57   7.800  -6.211  12.224
  471   3HZ   LYS  57          3HZ       LYS  57   6.122  -5.985  12.201
  472    H    SER  58           H        SER  58   1.168  -5.225  12.846
  473    HA   SER  58           HA       SER  58  -0.431  -4.100  13.943
  474   1HB   SER  58          2HB       SER  58  -0.131  -1.751  14.478
  475   2HB   SER  58          1HB       SER  58   1.414  -2.590  14.580
  476    HG   SER  58           HG       SER  58   1.410  -1.767  12.172
  477    H    LYS  59           H        LYS  59  -0.314  -4.130  10.756
  478    HA   LYS  59           HA       LYS  59  -1.690  -3.621   9.039
  479   1HB   LYS  59          2HB       LYS  59  -3.353  -4.710  10.557
  480   2HB   LYS  59          1HB       LYS  59  -3.787  -3.116  11.158
  481   1HG   LYS  59          2HG       LYS  59  -4.420  -2.472   8.852
  482   2HG   LYS  59          1HG       LYS  59  -4.096  -4.127   8.341
  483   1HD   LYS  59          2HD       LYS  59  -6.104  -3.349  10.453
  484   2HD   LYS  59          1HD       LYS  59  -6.502  -3.644   8.762
  485   1HE   LYS  59          2HE       LYS  59  -7.000  -5.674   9.751
  486   2HE   LYS  59          1HE       LYS  59  -5.367  -5.940   9.148
  487   1HZ   LYS  59          1HZ       LYS  59  -4.512  -5.511  11.370
  488   2HZ   LYS  59          2HZ       LYS  59  -5.641  -6.773  11.401
  489   3HZ   LYS  59          3HZ       LYS  59  -6.081  -5.227  11.946
  490    H    GLN  60           H        GLN  60  -0.302  -1.747   8.727
  491    HA   GLN  60           HA       GLN  60  -1.241   0.807   9.675
  492   1HB   GLN  60          2HB       GLN  60   1.068  -0.134   8.033
  493   2HB   GLN  60          1HB       GLN  60   0.620   1.567   7.980
  494   1HG   GLN  60          2HG       GLN  60   0.911   1.762  10.363
  495   2HG   GLN  60          1HG       GLN  60   1.218   0.033  10.501
  496   1HE2  GLN  60          1HE2      GLN  60   3.204  -0.769   9.978
  497   2HE2  GLN  60          2HE2      GLN  60   4.576   0.235   9.658
  498    H    ALA  61           H        ALA  61  -2.103  -1.176   7.139
  499    HA   ALA  61           HA       ALA  61  -2.831   0.823   5.235
  500   1HB   ALA  61          1HB       ALA  61  -2.528  -1.504   4.571
  501   2HB   ALA  61          2HB       ALA  61  -4.160  -0.952   4.194
  502   3HB   ALA  61          3HB       ALA  61  -3.879  -1.986   5.596
  503    H    ARG  62           H        ARG  62  -3.844   0.254   8.272
  504    HA   ARG  62           HA       ARG  62  -6.631   0.427   8.224
  505   1HB   ARG  62          2HB       ARG  62  -5.212  -0.133  10.197
  506   2HB   ARG  62          1HB       ARG  62  -4.709   1.546  10.273
  507   1HG   ARG  62          2HG       ARG  62  -6.941   2.254  10.797
  508   2HG   ARG  62          1HG       ARG  62  -7.556   0.616  10.557
  509   1HD   ARG  62          2HD       ARG  62  -6.241  -0.184  12.426
  510   2HD   ARG  62          1HD       ARG  62  -5.524   1.413  12.637
  511    HE   ARG  62           HE       ARG  62  -8.025   2.065  12.976
  512   1HH1  ARG  62          1HH1      ARG  62  -6.461  -0.871  14.101
  513   2HH1  ARG  62          2HH1      ARG  62  -7.485  -1.023  15.495
  514   1HH2  ARG  62          1HH2      ARG  62  -9.367   1.851  14.802
  515   2HH2  ARG  62          2HH2      ARG  62  -9.138   0.524  15.898
  516    H    LEU  63           H        LEU  63  -4.123   2.868   8.017
  517    HA   LEU  63           HA       LEU  63  -5.930   5.089   8.177
  518   1HB   LEU  63          2HB       LEU  63  -3.069   4.990   7.238
  519   2HB   LEU  63          1HB       LEU  63  -3.967   6.445   7.632
  520    HG   LEU  63           HG       LEU  63  -3.241   4.269   9.598
  521   1HD1  LEU  63          1HD1      LEU  63  -2.065   7.015   9.191
  522   2HD1  LEU  63          2HD1      LEU  63  -1.272   5.479   8.844
  523   3HD1  LEU  63          3HD1      LEU  63  -1.669   5.910  10.508
  524   1HD2  LEU  63          1HD2      LEU  63  -4.473   6.988  10.034
  525   2HD2  LEU  63          2HD2      LEU  63  -4.008   5.843  11.291
  526   3HD2  LEU  63          3HD2      LEU  63  -5.310   5.441  10.172
  527    H    ILE  64           H        ILE  64  -4.990   2.931   5.779
  528    HA   ILE  64           HA       ILE  64  -5.613   4.796   3.653
  529    HB   ILE  64           HB       ILE  64  -4.829   1.875   3.423
  530   1HG1  ILE  64          2HG1      ILE  64  -3.067   3.167   4.538
  531   2HG1  ILE  64          1HG1      ILE  64  -2.561   2.674   2.926
  532   1HG2  ILE  64          1HG2      ILE  64  -5.945   2.724   1.434
  533   2HG2  ILE  64          2HG2      ILE  64  -4.231   2.450   1.113
  534   3HG2  ILE  64          3HG2      ILE  64  -4.829   4.089   1.373
  535   1HD1  ILE  64          1HD1      ILE  64  -3.046   4.924   2.098
  536   2HD1  ILE  64          2HD1      ILE  64  -1.872   4.948   3.414
  537   3HD1  ILE  64          3HD1      ILE  64  -3.547   5.405   3.719
  538    H    ILE  65           H        ILE  65  -7.210   2.686   5.665
  539    HA   ILE  65           HA       ILE  65  -9.066   1.436   3.968
  540    HB   ILE  65           HB       ILE  65  -9.156   2.107   6.897
  541   1HG1  ILE  65          2HG1      ILE  65  -7.663   0.292   6.229
  542   2HG1  ILE  65          1HG1      ILE  65  -9.033  -0.350   7.132
  543   1HG2  ILE  65          1HG2      ILE  65 -11.439   2.255   6.043
  544   2HG2  ILE  65          2HG2      ILE  65 -11.233   0.847   7.089
  545   3HG2  ILE  65          3HG2      ILE  65 -11.283   0.645   5.337
  546   1HD1  ILE  65          1HD1      ILE  65 -10.088  -1.040   5.049
  547   2HD1  ILE  65          2HD1      ILE  65  -8.484  -1.753   5.222
  548   3HD1  ILE  65          3HD1      ILE  65  -8.730  -0.383   4.136
  549    H    LYS  66           H        LYS  66  -9.216   4.448   5.806
  550    HA   LYS  66           HA       LYS  66 -11.832   5.059   4.871
  551   1HB   LYS  66          2HB       LYS  66 -11.554   7.204   5.950
  552   2HB   LYS  66          1HB       LYS  66 -10.967   5.929   7.006
  553   1HG   LYS  66          2HG       LYS  66  -8.674   6.472   6.418
  554   2HG   LYS  66          1HG       LYS  66  -9.247   7.724   5.310
  555   1HD   LYS  66          2HD       LYS  66 -10.375   8.816   7.248
  556   2HD   LYS  66          1HD       LYS  66  -9.589   7.638   8.302
  557   1HE   LYS  66          2HE       LYS  66  -7.407   8.429   7.609
  558   2HE   LYS  66          1HE       LYS  66  -8.150   9.548   6.465
  559   1HZ   LYS  66          1HZ       LYS  66  -9.235  10.639   8.365
  560   2HZ   LYS  66          2HZ       LYS  66  -7.545  10.722   8.447
  561   3HZ   LYS  66          3HZ       LYS  66  -8.389   9.621   9.425
  562    H    LYS  67           H        LYS  67  -9.053   4.895   3.228
  563    HA   LYS  67           HA       LYS  67  -9.583   7.200   1.519
  564   1HB   LYS  67          2HB       LYS  67  -7.431   5.090   1.380
  565   2HB   LYS  67          1HB       LYS  67  -7.657   6.323   0.147
  566   1HG   LYS  67          2HG       LYS  67  -7.281   8.048   1.904
  567   2HG   LYS  67          1HG       LYS  67  -6.872   6.740   3.021
  568   1HD   LYS  67          2HD       LYS  67  -5.052   6.038   1.592
  569   2HD   LYS  67          1HD       LYS  67  -5.500   7.238   0.379
  570   1HE   LYS  67          2HE       LYS  67  -5.013   9.022   2.020
  571   2HE   LYS  67          1HE       LYS  67  -4.486   7.790   3.167
  572   1HZ   LYS  67          1HZ       LYS  67  -3.268   8.307   0.501
  573   2HZ   LYS  67          2HZ       LYS  67  -2.763   7.126   1.599
  574   3HZ   LYS  67          3HZ       LYS  67  -2.608   8.762   1.995
  575    H    VAL  68           H        VAL  68  -9.214   3.705   1.208
  576    HA   VAL  68           HA       VAL  68 -10.428   3.562  -1.353
  577    HB   VAL  68           HB       VAL  68 -10.415   1.170   0.443
  578   1HG1  VAL  68          1HG1      VAL  68  -9.645   1.590  -2.434
  579   2HG1  VAL  68          2HG1      VAL  68 -11.162   0.912  -1.842
  580   3HG1  VAL  68          3HG1      VAL  68  -9.647   0.044  -1.584
  581   1HG2  VAL  68          1HG2      VAL  68  -8.351   2.157   1.080
  582   2HG2  VAL  68          2HG2      VAL  68  -7.946   2.521  -0.597
  583   3HG2  VAL  68          3HG2      VAL  68  -7.998   0.844  -0.044
  584    H    GLU  69           H        GLU  69 -11.597   3.830   1.829
  585    HA   GLU  69           HA       GLU  69 -14.094   2.618   1.731
  586   1HB   GLU  69          2HB       GLU  69 -13.011   3.639   3.730
  587   2HB   GLU  69          1HB       GLU  69 -13.385   5.229   3.082
  588   1HG   GLU  69          2HG       GLU  69 -15.779   4.674   3.179
  589   2HG   GLU  69          1HG       GLU  69 -15.355   3.119   3.891
  590    H    ARG  70           H        ARG  70 -12.981   5.558   0.216
  591    HA   ARG  70           HA       ARG  70 -15.564   6.701  -0.172
  592   1HB   ARG  70          2HB       ARG  70 -12.869   7.304  -1.353
  593   2HB   ARG  70          1HB       ARG  70 -14.322   8.139  -1.884
  594   1HG   ARG  70          2HG       ARG  70 -14.622   8.556   0.695
  595   2HG   ARG  70          1HG       ARG  70 -12.873   8.307   0.700
  596   1HD   ARG  70          2HD       ARG  70 -13.453  10.676   0.441
  597   2HD   ARG  70          1HD       ARG  70 -12.596  10.050  -0.969
  598    HE   ARG  70           HE       ARG  70 -15.343   9.790  -1.438
  599   1HH1  ARG  70          1HH1      ARG  70 -12.998  12.363  -0.989
  600   2HH1  ARG  70          2HH1      ARG  70 -13.838  13.463  -2.044
  601   1HH2  ARG  70          1HH2      ARG  70 -16.447  11.253  -2.790
  602   2HH2  ARG  70          2HH2      ARG  70 -15.785  12.839  -3.056
  603    H    LYS  71           H        LYS  71 -13.680   4.383  -1.931
  604    HA   LYS  71           HA       LYS  71 -15.660   4.536  -4.102
  605   1HB   LYS  71          2HB       LYS  71 -13.339   5.063  -4.813
  606   2HB   LYS  71          1HB       LYS  71 -12.839   3.463  -4.282
  607   1HG   LYS  71          2HG       LYS  71 -14.078   2.397  -5.974
  608   2HG   LYS  71          1HG       LYS  71 -14.986   3.865  -6.338
  609   1HD   LYS  71          2HD       LYS  71 -12.019   3.529  -6.769
  610   2HD   LYS  71          1HD       LYS  71 -13.246   3.345  -8.025
  611   1HE   LYS  71          2HE       LYS  71 -13.973   5.669  -7.604
  612   2HE   LYS  71          1HE       LYS  71 -12.672   5.838  -6.428
  613   1HZ   LYS  71          1HZ       LYS  71 -11.093   5.362  -8.242
  614   2HZ   LYS  71          2HZ       LYS  71 -11.992   6.773  -8.511
  615   3HZ   LYS  71          3HZ       LYS  71 -12.382   5.351  -9.343
  616    H    ASN  72           H        ASN  72 -17.043   3.252  -2.827
  617    HA   ASN  72           HA       ASN  72 -16.236   0.567  -2.164
  618   1HB   ASN  72          2HB       ASN  72 -18.584   0.325  -1.358
  619   2HB   ASN  72          1HB       ASN  72 -17.718   1.665  -0.620
  620   1HD2  ASN  72          1HD2      ASN  72 -20.320   0.725  -2.677
  621   2HD2  ASN  72          2HD2      ASN  72 -21.058   2.282  -2.813
  622    H    PHE  73           H        PHE  73 -16.709  -1.250  -3.220
  623    HA   PHE  73           HA       PHE  73 -17.626  -0.925  -5.968
  624   1HB   PHE  73          2HB       PHE  73 -16.329  -3.319  -4.646
  625   2HB   PHE  73          1HB       PHE  73 -16.603  -3.097  -6.371
  626    HD1  PHE  73           1HD      PHE  73 -15.309  -1.378  -7.615
  627    HD2  PHE  73           2HD      PHE  73 -14.463  -2.345  -3.557
  628    HE1  PHE  73           1HE      PHE  73 -13.101  -0.311  -7.825
  629    HE2  PHE  73           2HE      PHE  73 -12.255  -1.279  -3.760
  630    HZ   PHE  73           HZ       PHE  73 -11.572  -0.262  -5.895
  Start of MODEL    7
    1   1H    PHE   1          1HT       PHE   1  18.571 -28.659  12.306
    2   2H    PHE   1          2HT       PHE   1  17.755 -30.141  12.389
    3   3H    PHE   1          3HT       PHE   1  17.010 -28.735  12.972
    4    HA   PHE   1           HA       PHE   1  17.678 -29.362  10.154
    5   1HB   PHE   1          2HB       PHE   1  15.016 -28.939  11.543
    6   2HB   PHE   1          1HB       PHE   1  15.232 -29.223   9.820
    7    HD1  PHE   1           1HD      PHE   1  16.039 -31.430   9.034
    8    HD2  PHE   1           2HD      PHE   1  15.004 -30.722  13.098
    9    HE1  PHE   1           1HE      PHE   1  15.882 -33.857   9.414
   10    HE2  PHE   1           2HE      PHE   1  14.849 -33.146  13.487
   11    HZ   PHE   1           HZ       PHE   1  15.290 -34.715  11.643
   12    HA   PRO   2           HA       PRO   2  17.798 -24.897   9.770
   13   1HB   PRO   2          2HB       PRO   2  18.020 -25.315   6.909
   14   2HB   PRO   2          1HB       PRO   2  19.241 -24.717   8.033
   15   1HG   PRO   2          2HG       PRO   2  19.393 -27.143   6.791
   16   2HG   PRO   2          1HG       PRO   2  20.141 -26.793   8.358
   17   1HD   PRO   2          2HD       PRO   2  17.593 -28.240   7.754
   18   2HD   PRO   2          1HD       PRO   2  18.827 -28.590   8.983
   19    H    MET   3           H        MET   3  15.674 -24.355  10.228
   20    HA   MET   3           HA       MET   3  13.765 -24.624   8.002
   21   1HB   MET   3          2HB       MET   3  13.140 -25.794  10.112
   22   2HB   MET   3          1HB       MET   3  13.125 -24.237  10.930
   23   1HG   MET   3          2HG       MET   3  10.881 -24.946  10.332
   24   2HG   MET   3          1HG       MET   3  11.334 -23.473   9.476
   25   1HE   MET   3          1HE       MET   3   8.843 -25.201   8.606
   26   2HE   MET   3          2HE       MET   3   9.057 -25.236   6.855
   27   3HE   MET   3          3HE       MET   3   9.374 -23.752   7.753
   28    H    PHE   4           H        PHE   4  13.671 -22.814   6.878
   29    HA   PHE   4           HA       PHE   4  13.294 -20.286   8.295
   30   1HB   PHE   4          2HB       PHE   4  15.702 -20.391   7.928
   31   2HB   PHE   4          1HB       PHE   4  15.455 -20.748   6.223
   32    HD1  PHE   4           1HD      PHE   4  14.825 -18.141   8.797
   33    HD2  PHE   4           2HD      PHE   4  15.377 -19.031   4.673
   34    HE1  PHE   4           1HE      PHE   4  14.909 -15.734   8.292
   35    HE2  PHE   4           2HE      PHE   4  15.457 -16.628   4.160
   36    HZ   PHE   4           HZ       PHE   4  15.226 -14.976   5.969
   37    H    LYS   5           H        LYS   5  11.742 -19.120   7.393
   38    HA   LYS   5           HA       LYS   5  10.637 -19.868   4.821
   39   1HB   LYS   5          2HB       LYS   5   9.903 -17.831   6.915
   40   2HB   LYS   5          1HB       LYS   5   9.135 -17.834   5.335
   41   1HG   LYS   5          2HG       LYS   5   8.253 -20.041   5.716
   42   2HG   LYS   5          1HG       LYS   5   9.130 -20.161   7.245
   43   1HD   LYS   5          2HD       LYS   5   7.825 -18.407   8.213
   44   2HD   LYS   5          1HD       LYS   5   7.070 -18.040   6.663
   45   1HE   LYS   5          2HE       LYS   5   5.576 -19.301   8.141
   46   2HE   LYS   5          1HE       LYS   5   5.952 -20.190   6.667
   47   1HZ   LYS   5          1HZ       LYS   5   6.015 -21.520   8.756
   48   2HZ   LYS   5          2HZ       LYS   5   7.377 -20.623   9.235
   49   3HZ   LYS   5          3HZ       LYS   5   7.436 -21.583   7.835
   50    H    ARG   6           H        ARG   6  11.688 -19.206   3.058
   51    HA   ARG   6           HA       ARG   6  13.431 -17.003   2.928
   52   1HB   ARG   6          2HB       ARG   6  13.488 -18.877   1.325
   53   2HB   ARG   6          1HB       ARG   6  11.933 -18.368   0.680
   54   1HG   ARG   6          2HG       ARG   6  12.947 -16.231  -0.009
   55   2HG   ARG   6          1HG       ARG   6  14.508 -16.812   0.572
   56   1HD   ARG   6          2HD       ARG   6  12.836 -18.060  -1.600
   57   2HD   ARG   6          1HD       ARG   6  14.305 -17.113  -1.835
   58    HE   ARG   6           HE       ARG   6  15.103 -19.116  -0.184
   59   1HH1  ARG   6          1HH1      ARG   6  13.387 -19.059  -3.239
   60   2HH1  ARG   6          2HH1      ARG   6  14.042 -20.580  -3.779
   61   1HH2  ARG   6          1HH2      ARG   6  15.998 -21.089  -0.904
   62   2HH2  ARG   6          2HH2      ARG   6  15.553 -21.723  -2.463
   63    H    GLY   7           H        GLY   7  10.080 -17.408   1.785
   64   1HA   GLY   7          2HA       GLY   7   8.692 -15.400   2.545
   65   2HA   GLY   7          1HA       GLY   7   9.878 -14.468   1.642
   66    H    ARG   8           H        ARG   8   7.119 -16.552   1.455
   67    HA   ARG   8           HA       ARG   8   7.050 -16.539  -1.436
   68   1HB   ARG   8          2HB       ARG   8   4.919 -17.318   0.571
   69   2HB   ARG   8          1HB       ARG   8   4.832 -17.589  -1.161
   70   1HG   ARG   8          2HG       ARG   8   6.871 -18.801   0.690
   71   2HG   ARG   8          1HG       ARG   8   5.429 -19.611   0.078
   72   1HD   ARG   8          2HD       ARG   8   6.275 -19.278  -2.228
   73   2HD   ARG   8          1HD       ARG   8   7.749 -18.581  -1.557
   74    HE   ARG   8           HE       ARG   8   7.150 -21.199  -0.523
   75   1HH1  ARG   8          1HH1      ARG   8   8.672 -19.438  -3.150
   76   2HH1  ARG   8          2HH1      ARG   8   9.724 -20.754  -3.592
   77   1HH2  ARG   8          1HH2      ARG   8   8.539 -22.914  -1.076
   78   2HH2  ARG   8          2HH2      ARG   8   9.641 -22.740  -2.416
   79    H    CYS   9           H        CYS   9   6.496 -14.324   0.927
   80    HA   CYS   9           HA       CYS   9   4.600 -12.789  -0.706
   81   1HB   CYS   9          2HB       CYS   9   4.476 -12.678   2.298
   82   2HB   CYS   9          1HB       CYS   9   3.218 -12.306   1.111
   83    H    LEU  10           H        LEU  10   5.210 -10.701  -0.991
   84    HA   LEU  10           HA       LEU  10   7.439  -9.733   0.663
   85   1HB   LEU  10          2HB       LEU  10   8.430  -8.657  -1.271
   86   2HB   LEU  10          1HB       LEU  10   8.295 -10.384  -1.528
   87    HG   LEU  10           HG       LEU  10   6.231  -8.500  -2.632
   88   1HD1  LEU  10          1HD1      LEU  10   7.499  -8.452  -4.722
   89   2HD1  LEU  10          2HD1      LEU  10   8.829  -9.300  -3.932
   90   3HD1  LEU  10          3HD1      LEU  10   8.380  -7.677  -3.406
   91   1HD2  LEU  10          1HD2      LEU  10   5.711 -10.889  -2.637
   92   2HD2  LEU  10          2HD2      LEU  10   7.214 -11.221  -3.497
   93   3HD2  LEU  10          3HD2      LEU  10   5.941 -10.286  -4.279
   94    H    CYS  11           H        CYS  11   7.081  -7.887   1.630
   95    HA   CYS  11           HA       CYS  11   5.439  -5.859   0.316
   96   1HB   CYS  11          2HB       CYS  11   3.949  -7.065   1.906
   97   2HB   CYS  11          1HB       CYS  11   5.060  -6.652   3.207
   98    H    ILE  12           H        ILE  12   6.871  -4.297   0.055
   99    HA   ILE  12           HA       ILE  12   8.820  -3.755   2.171
  100    HB   ILE  12           HB       ILE  12   9.530  -4.105  -0.231
  101   1HG1  ILE  12          2HG1      ILE  12  11.151  -2.214  -0.249
  102   2HG1  ILE  12          1HG1      ILE  12  10.257  -1.478   1.077
  103   1HG2  ILE  12          1HG2      ILE  12   7.730  -2.917  -1.335
  104   2HG2  ILE  12          2HG2      ILE  12   9.292  -2.241  -1.797
  105   3HG2  ILE  12          3HG2      ILE  12   8.275  -1.397  -0.629
  106   1HD1  ILE  12          1HD1      ILE  12  11.615  -4.160   1.163
  107   2HD1  ILE  12          2HD1      ILE  12  10.776  -3.370   2.500
  108   3HD1  ILE  12          3HD1      ILE  12  12.250  -2.663   1.841
  109    H    GLY  13           H        GLY  13   9.199  -0.957   1.638
  110   1HA   GLY  13          2HA       GLY  13   6.519   0.035   2.360
  111   2HA   GLY  13          1HA       GLY  13   7.986   0.709   2.981
  112    HA   PRO  14           HA       PRO  14   7.357   2.453  -1.408
  113   1HB   PRO  14          2HB       PRO  14   5.400   1.478  -2.920
  114   2HB   PRO  14          1HB       PRO  14   6.850   0.499  -2.631
  115   1HG   PRO  14          2HG       PRO  14   4.164   0.321  -1.345
  116   2HG   PRO  14          1HG       PRO  14   5.231  -0.985  -1.887
  117   1HD   PRO  14          2HD       PRO  14   5.036  -0.010   0.741
  118   2HD   PRO  14          1HD       PRO  14   6.362  -0.996   0.105
  119    H    GLY  15           H        GLY  15   5.637   2.640   1.141
  120   1HA   GLY  15          2HA       GLY  15   3.266   4.060   0.285
  121   2HA   GLY  15          1HA       GLY  15   3.806   3.819   1.945
  122    H    VAL  16           H        VAL  16   3.572   5.993  -0.612
  123    HA   VAL  16           HA       VAL  16   5.918   7.520   0.198
  124    HB   VAL  16           HB       VAL  16   4.019   8.059  -2.087
  125   1HG1  VAL  16          1HG1      VAL  16   5.183  10.072  -1.332
  126   2HG1  VAL  16          2HG1      VAL  16   5.766   9.553  -2.912
  127   3HG1  VAL  16          3HG1      VAL  16   6.729   9.237  -1.468
  128   1HG2  VAL  16          1HG2      VAL  16   5.208   5.945  -2.347
  129   2HG2  VAL  16          2HG2      VAL  16   6.745   6.765  -2.062
  130   3HG2  VAL  16          3HG2      VAL  16   5.794   7.146  -3.500
  131    H    LYS  17           H        LYS  17   2.774   8.869  -0.835
  132    HA   LYS  17           HA       LYS  17   2.660  10.271   1.726
  133   1HB   LYS  17          2HB       LYS  17   3.919  11.598  -0.080
  134   2HB   LYS  17          1HB       LYS  17   2.359  11.816  -0.845
  135   1HG   LYS  17          2HG       LYS  17   2.820  13.752   0.451
  136   2HG   LYS  17          1HG       LYS  17   1.548  12.851   1.278
  137   1HD   LYS  17          2HD       LYS  17   3.044  12.045   2.916
  138   2HD   LYS  17          1HD       LYS  17   4.455  12.529   1.976
  139   1HE   LYS  17          2HE       LYS  17   4.151  14.060   3.813
  140   2HE   LYS  17          1HE       LYS  17   3.819  14.891   2.295
  141   1HZ   LYS  17          1HZ       LYS  17   1.763  13.791   4.135
  142   2HZ   LYS  17          2HZ       LYS  17   1.460  14.641   2.698
  143   3HZ   LYS  17          3HZ       LYS  17   2.195  15.426   4.006
  144    H    ALA  18           H        ALA  18   0.848  11.000  -1.245
  145    HA   ALA  18           HA       ALA  18  -1.476   9.566  -0.692
  146   1HB   ALA  18          1HB       ALA  18  -1.572  10.911   1.365
  147   2HB   ALA  18          2HB       ALA  18  -2.934  11.237   0.291
  148   3HB   ALA  18          3HB       ALA  18  -1.595  12.381   0.390
  149    H    VAL  19           H        VAL  19  -2.988   9.855  -2.271
  150    HA   VAL  19           HA       VAL  19  -2.784  12.189  -4.039
  151    HB   VAL  19           HB       VAL  19  -3.170  10.597  -6.007
  152   1HG1  VAL  19          1HG1      VAL  19  -1.083  11.785  -5.718
  153   2HG1  VAL  19          2HG1      VAL  19  -0.757  10.137  -6.259
  154   3HG1  VAL  19          3HG1      VAL  19  -0.519  10.574  -4.566
  155   1HG2  VAL  19          1HG2      VAL  19  -2.302   8.328  -5.747
  156   2HG2  VAL  19          2HG2      VAL  19  -3.695   8.601  -4.700
  157   3HG2  VAL  19          3HG2      VAL  19  -2.067   8.613  -4.022
  158    H    LYS  20           H        LYS  20  -4.741  11.023  -5.901
  159    HA   LYS  20           HA       LYS  20  -7.105  11.905  -4.612
  160   1HB   LYS  20          2HB       LYS  20  -6.674  12.047  -7.075
  161   2HB   LYS  20          1HB       LYS  20  -6.860  10.301  -7.170
  162   1HG   LYS  20          2HG       LYS  20  -8.903  11.314  -7.869
  163   2HG   LYS  20          1HG       LYS  20  -9.173  10.560  -6.297
  164   1HD   LYS  20          2HD       LYS  20  -8.829  12.777  -5.233
  165   2HD   LYS  20          1HD       LYS  20  -8.715  13.492  -6.841
  166   1HE   LYS  20          2HE       LYS  20 -11.092  11.995  -5.752
  167   2HE   LYS  20          1HE       LYS  20 -10.951  13.748  -5.851
  168   1HZ   LYS  20          1HZ       LYS  20 -12.201  13.028  -7.703
  169   2HZ   LYS  20          2HZ       LYS  20 -11.096  11.815  -8.099
  170   3HZ   LYS  20          3HZ       LYS  20 -10.674  13.443  -8.307
  171    H    VAL  21           H        VAL  21  -8.016  10.784  -3.010
  172    HA   VAL  21           HA       VAL  21  -7.380   8.051  -2.504
  173    HB   VAL  21           HB       VAL  21  -8.759   8.282  -0.508
  174   1HG1  VAL  21          1HG1      VAL  21  -6.491   9.168  -0.470
  175   2HG1  VAL  21          2HG1      VAL  21  -7.560  10.136   0.544
  176   3HG1  VAL  21          3HG1      VAL  21  -7.078  10.727  -1.046
  177   1HG2  VAL  21          1HG2      VAL  21  -9.556  10.961  -1.649
  178   2HG2  VAL  21          2HG2      VAL  21  -9.947  10.373  -0.033
  179   3HG2  VAL  21          3HG2      VAL  21 -10.608   9.559  -1.451
  180    H    ALA  22           H        ALA  22  -9.197   8.839  -4.849
  181    HA   ALA  22           HA       ALA  22 -11.033   6.610  -4.506
  182   1HB   ALA  22          1HB       ALA  22 -11.985   9.344  -5.361
  183   2HB   ALA  22          2HB       ALA  22 -12.327   8.575  -3.812
  184   3HB   ALA  22          3HB       ALA  22 -12.963   7.879  -5.301
  185    H    ASP  23           H        ASP  23  -8.614   7.541  -6.129
  186    HA   ASP  23           HA       ASP  23  -9.683   6.690  -8.746
  187   1HB   ASP  23          2HB       ASP  23  -8.936   9.227  -8.443
  188   2HB   ASP  23          1HB       ASP  23  -7.329   8.537  -8.603
  189    H    ILE  24           H        ILE  24  -6.681   7.372  -7.068
  190    HA   ILE  24           HA       ILE  24  -5.785   4.615  -7.220
  191    HB   ILE  24           HB       ILE  24  -3.418   5.766  -7.785
  192   1HG1  ILE  24          2HG1      ILE  24  -3.787   7.327  -9.743
  193   2HG1  ILE  24          1HG1      ILE  24  -5.475   7.436  -9.267
  194   1HG2  ILE  24          1HG2      ILE  24  -3.655   4.902 -10.042
  195   2HG2  ILE  24          2HG2      ILE  24  -5.412   4.946  -9.904
  196   3HG2  ILE  24          3HG2      ILE  24  -4.478   3.831  -8.907
  197   1HD1  ILE  24          1HD1      ILE  24  -4.219   9.355  -8.502
  198   2HD1  ILE  24          2HD1      ILE  24  -3.111   8.302  -7.622
  199   3HD1  ILE  24          3HD1      ILE  24  -4.802   8.409  -7.131
  200    H    GLU  25           H        GLU  25  -3.768   4.446  -5.856
  201    HA   GLU  25           HA       GLU  25  -3.433   4.185  -3.645
  202   1HB   GLU  25          2HB       GLU  25  -3.089   6.737  -3.825
  203   2HB   GLU  25          1HB       GLU  25  -4.702   6.856  -3.127
  204   1HG   GLU  25          2HG       GLU  25  -3.997   5.759  -1.127
  205   2HG   GLU  25          1HG       GLU  25  -2.429   5.361  -1.841
  206    H    LYS  26           H        LYS  26  -4.911   2.640  -4.049
  207    HA   LYS  26           HA       LYS  26  -7.384   2.775  -2.568
  208   1HB   LYS  26          2HB       LYS  26  -8.626   1.743  -4.530
  209   2HB   LYS  26          1HB       LYS  26  -8.214   3.441  -4.718
  210   1HG   LYS  26          2HG       LYS  26  -6.371   2.887  -6.164
  211   2HG   LYS  26          1HG       LYS  26  -6.626   1.164  -5.886
  212   1HD   LYS  26          2HD       LYS  26  -8.837   1.335  -6.940
  213   2HD   LYS  26          1HD       LYS  26  -8.552   3.051  -7.239
  214   1HE   LYS  26          2HE       LYS  26  -8.099   1.728  -9.238
  215   2HE   LYS  26          1HE       LYS  26  -6.633   2.499  -8.639
  216   1HZ   LYS  26          1HZ       LYS  26  -6.152   0.248  -9.259
  217   2HZ   LYS  26          2HZ       LYS  26  -7.402  -0.351  -8.286
  218   3HZ   LYS  26          3HZ       LYS  26  -6.046   0.365  -7.572
  219    H    ALA  27           H        ALA  27  -6.495   1.302  -1.191
  220    HA   ALA  27           HA       ALA  27  -5.231  -1.101  -2.185
  221   1HB   ALA  27          1HB       ALA  27  -4.249   0.004  -0.287
  222   2HB   ALA  27          2HB       ALA  27  -4.841  -1.582   0.200
  223   3HB   ALA  27          3HB       ALA  27  -5.754  -0.131   0.618
  224    H    SER  28           H        SER  28  -6.865  -2.196  -3.158
  225    HA   SER  28           HA       SER  28  -9.209  -2.916  -1.558
  226   1HB   SER  28          2HB       SER  28  -8.575  -3.189  -4.484
  227   2HB   SER  28          1HB       SER  28 -10.102  -3.670  -3.745
  228    HG   SER  28           HG       SER  28 -10.715  -1.636  -3.694
  229    H    ILE  29           H        ILE  29  -7.447  -4.370  -0.427
  230    HA   ILE  29           HA       ILE  29  -8.538  -6.918  -1.069
  231    HB   ILE  29           HB       ILE  29  -6.514  -6.985  -2.493
  232   1HG1  ILE  29          2HG1      ILE  29  -6.380  -8.840  -0.104
  233   2HG1  ILE  29          1HG1      ILE  29  -7.424  -9.057  -1.505
  234   1HG2  ILE  29          1HG2      ILE  29  -5.026  -6.699   0.106
  235   2HG2  ILE  29          2HG2      ILE  29  -5.078  -5.520  -1.207
  236   3HG2  ILE  29          3HG2      ILE  29  -4.300  -7.085  -1.454
  237   1HD1  ILE  29          1HD1      ILE  29  -4.416  -9.076  -1.526
  238   2HD1  ILE  29          2HD1      ILE  29  -5.460  -9.295  -2.930
  239   3HD1  ILE  29          3HD1      ILE  29  -5.470 -10.487  -1.630
  240    H    MET  30           H        MET  30  -8.535  -8.271   0.800
  241    HA   MET  30           HA       MET  30  -6.747  -7.521   2.946
  242   1HB   MET  30          2HB       MET  30  -8.731  -6.199   3.465
  243   2HB   MET  30          1HB       MET  30  -9.738  -7.644   3.389
  244   1HG   MET  30          2HG       MET  30  -9.248  -6.972   5.689
  245   2HG   MET  30          1HG       MET  30  -8.604  -8.569   5.317
  246   1HE   MET  30          1HE       MET  30  -7.154  -5.100   4.205
  247   2HE   MET  30          2HE       MET  30  -5.987  -4.767   5.483
  248   3HE   MET  30          3HE       MET  30  -7.716  -4.756   5.840
  249    H    TYR  31           H        TYR  31  -5.851  -9.429   2.095
  250    HA   TYR  31           HA       TYR  31  -6.747 -11.773   3.536
  251   1HB   TYR  31          2HB       TYR  31  -7.729 -11.618   1.045
  252   2HB   TYR  31          1HB       TYR  31  -6.124 -12.222   0.640
  253    HD1  TYR  31           1HD      TYR  31  -5.572 -14.503   0.955
  254    HD2  TYR  31           2HD      TYR  31  -9.193 -12.964   2.561
  255    HE1  TYR  31           1HE      TYR  31  -6.306 -16.797   1.474
  256    HE2  TYR  31           2HE      TYR  31  -9.942 -15.248   3.086
  257    HH   TYR  31           HH       TYR  31  -9.528 -17.533   2.402
  258    HA   PRO  32           HA       PRO  32  -2.267 -12.307   3.720
  259   1HB   PRO  32          2HB       PRO  32  -2.185 -15.054   3.802
  260   2HB   PRO  32          1HB       PRO  32  -2.457 -14.016   5.203
  261   1HG   PRO  32          2HG       PRO  32  -4.430 -15.512   3.539
  262   2HG   PRO  32          1HG       PRO  32  -4.389 -15.271   5.297
  263   1HD   PRO  32          2HD       PRO  32  -6.041 -13.859   3.695
  264   2HD   PRO  32          1HD       PRO  32  -5.308 -13.153   5.147
  265    H    SER  33           H        SER  33  -2.910 -11.648   1.210
  266    HA   SER  33           HA       SER  33  -2.574 -11.927  -1.027
  267   1HB   SER  33          2HB       SER  33  -0.071 -12.912   0.294
  268   2HB   SER  33          1HB       SER  33  -0.224 -13.042  -1.460
  269    HG   SER  33           HG       SER  33   0.249 -10.859   0.071
  270    H    ASN  34           H        ASN  34  -3.907 -14.230   0.386
  271    HA   ASN  34           HA       ASN  34  -4.595 -16.347   0.082
  272   1HB   ASN  34          2HB       ASN  34  -4.145 -15.611  -2.822
  273   2HB   ASN  34          1HB       ASN  34  -5.063 -17.007  -2.274
  274   1HD2  ASN  34          1HD2      ASN  34  -5.045 -13.596  -2.744
  275   2HD2  ASN  34          2HD2      ASN  34  -6.709 -13.314  -2.327
  276    H    ASN  35           H        ASN  35  -1.689 -16.014   0.512
  277    HA   ASN  35           HA       ASN  35  -0.919 -18.715  -0.196
  278   1HB   ASN  35          2HB       ASN  35  -0.447 -17.113  -2.247
  279   2HB   ASN  35          1HB       ASN  35   0.921 -16.595  -1.269
  280   1HD2  ASN  35          1HD2      ASN  35   1.152 -17.798  -3.769
  281   2HD2  ASN  35          2HD2      ASN  35   1.921 -19.336  -3.572
  282    H    CYS  36           H        CYS  36  -1.255 -16.692   2.004
  283    HA   CYS  36           HA       CYS  36   1.500 -16.661   3.065
  284   1HB   CYS  36          2HB       CYS  36  -0.403 -14.330   2.846
  285   2HB   CYS  36          1HB       CYS  36   1.177 -14.263   3.657
  286    H    ASP  37           H        ASP  37   1.504 -15.759   5.338
  287    HA   ASP  37           HA       ASP  37  -0.935 -16.568   6.803
  288   1HB   ASP  37          2HB       ASP  37   1.869 -16.146   7.870
  289   2HB   ASP  37          1HB       ASP  37   0.469 -16.669   8.801
  290    H    LYS  38           H        LYS  38   0.351 -13.982   5.421
  291    HA   LYS  38           HA       LYS  38  -0.358 -12.182   7.618
  292   1HB   LYS  38          2HB       LYS  38   1.423 -10.704   7.049
  293   2HB   LYS  38          1HB       LYS  38   2.104 -12.298   7.260
  294   1HG   LYS  38          2HG       LYS  38   2.101 -12.562   4.792
  295   2HG   LYS  38          1HG       LYS  38   1.530 -10.891   4.679
  296   1HD   LYS  38          2HD       LYS  38   4.107 -11.749   6.009
  297   2HD   LYS  38          1HD       LYS  38   3.989 -11.108   4.369
  298   1HE   LYS  38          2HE       LYS  38   2.965  -9.597   6.756
  299   2HE   LYS  38          1HE       LYS  38   4.639  -9.479   6.223
  300   1HZ   LYS  38          1HZ       LYS  38   3.122  -7.727   5.342
  301   2HZ   LYS  38          2HZ       LYS  38   2.321  -8.924   4.448
  302   3HZ   LYS  38          3HZ       LYS  38   3.959  -8.595   4.155
  303    H    ILE  39           H        ILE  39  -1.409 -10.361   7.045
  304    HA   ILE  39           HA       ILE  39  -2.982 -10.792   4.638
  305    HB   ILE  39           HB       ILE  39  -4.665  -9.321   5.666
  306   1HG1  ILE  39          2HG1      ILE  39  -2.798  -9.268   8.056
  307   2HG1  ILE  39          1HG1      ILE  39  -3.091  -7.903   6.984
  308   1HG2  ILE  39          1HG2      ILE  39  -5.292 -10.841   7.500
  309   2HG2  ILE  39          2HG2      ILE  39  -3.682 -11.559   7.431
  310   3HG2  ILE  39          3HG2      ILE  39  -4.773 -11.703   6.055
  311   1HD1  ILE  39          1HD1      ILE  39  -5.453  -7.922   7.653
  312   2HD1  ILE  39          2HD1      ILE  39  -4.363  -7.667   9.016
  313   3HD1  ILE  39          3HD1      ILE  39  -5.110  -9.247   8.765
  314    H    GLU  40           H        GLU  40  -2.736  -9.589   2.915
  315    HA   GLU  40           HA       GLU  40  -1.046  -7.209   3.163
  316   1HB   GLU  40          2HB       GLU  40  -1.640  -8.743   0.639
  317   2HB   GLU  40          1HB       GLU  40  -0.334  -7.604   0.929
  318   1HG   GLU  40          2HG       GLU  40  -0.611 -10.278   2.280
  319   2HG   GLU  40          1HG       GLU  40   0.399  -9.958   0.874
  320    H    VAL  41           H        VAL  41  -1.501  -5.375   1.895
  321    HA   VAL  41           HA       VAL  41  -4.209  -5.191   0.774
  322    HB   VAL  41           HB       VAL  41  -3.526  -3.946   3.117
  323   1HG1  VAL  41          1HG1      VAL  41  -1.874  -2.495   2.095
  324   2HG1  VAL  41          2HG1      VAL  41  -3.247  -1.555   2.682
  325   3HG1  VAL  41          3HG1      VAL  41  -3.082  -1.892   0.959
  326   1HG2  VAL  41          1HG2      VAL  41  -5.483  -2.510   2.754
  327   2HG2  VAL  41          2HG2      VAL  41  -5.780  -4.189   2.288
  328   3HG2  VAL  41          3HG2      VAL  41  -5.481  -2.965   1.049
  329    H    ILE  42           H        ILE  42  -4.259  -4.080  -1.270
  330    HA   ILE  42           HA       ILE  42  -1.530  -3.423  -2.169
  331    HB   ILE  42           HB       ILE  42  -3.726  -4.473  -3.950
  332   1HG1  ILE  42          2HG1      ILE  42  -3.022  -6.218  -2.347
  333   2HG1  ILE  42          1HG1      ILE  42  -2.489  -6.597  -3.980
  334   1HG2  ILE  42          1HG2      ILE  42  -0.804  -3.856  -4.321
  335   2HG2  ILE  42          2HG2      ILE  42  -2.185  -3.174  -5.192
  336   3HG2  ILE  42          3HG2      ILE  42  -1.718  -4.855  -5.456
  337   1HD1  ILE  42          1HD1      ILE  42  -0.245  -5.803  -3.423
  338   2HD1  ILE  42          2HD1      ILE  42  -0.765  -7.112  -2.365
  339   3HD1  ILE  42          3HD1      ILE  42  -0.785  -5.449  -1.783
  340    H    ILE  43           H        ILE  43  -1.416  -1.323  -2.105
  341    HA   ILE  43           HA       ILE  43  -3.591   0.262  -3.282
  342    HB   ILE  43           HB       ILE  43  -1.344   1.789  -2.243
  343   1HG1  ILE  43          2HG1      ILE  43  -3.020   0.376  -0.164
  344   2HG1  ILE  43          1HG1      ILE  43  -1.399  -0.157  -0.608
  345   1HG2  ILE  43          1HG2      ILE  43  -3.110   3.126  -1.306
  346   2HG2  ILE  43          2HG2      ILE  43  -4.281   1.842  -1.605
  347   3HG2  ILE  43          3HG2      ILE  43  -3.523   2.678  -2.972
  348   1HD1  ILE  43          1HD1      ILE  43  -1.252   1.196   1.361
  349   2HD1  ILE  43          2HD1      ILE  43  -2.169   2.492   0.593
  350   3HD1  ILE  43          3HD1      ILE  43  -0.545   2.098   0.009
  351    H    THR  44           H        THR  44  -3.006   1.943  -4.675
  352    HA   THR  44           HA       THR  44  -0.291   1.845  -5.784
  353    HB   THR  44           HB       THR  44  -1.109   2.816  -7.810
  354    HG1  THR  44           1HG      THR  44  -2.865   3.948  -7.719
  355   1HG2  THR  44          1HG2      THR  44  -2.632   1.055  -8.651
  356   2HG2  THR  44          2HG2      THR  44  -2.866   0.500  -6.994
  357   3HG2  THR  44          3HG2      THR  44  -1.274   0.395  -7.742
  358    H    LEU  45           H        LEU  45   0.467   4.092  -6.361
  359    HA   LEU  45           HA       LEU  45  -1.320   6.198  -5.544
  360   1HB   LEU  45          2HB       LEU  45   0.184   7.493  -4.278
  361   2HB   LEU  45          1HB       LEU  45   0.324   5.880  -3.620
  362    HG   LEU  45           HG       LEU  45   2.323   6.400  -5.675
  363   1HD1  LEU  45          1HD1      LEU  45   3.644   7.984  -4.369
  364   2HD1  LEU  45          2HD1      LEU  45   2.320   8.141  -3.213
  365   3HD1  LEU  45          3HD1      LEU  45   2.109   8.693  -4.875
  366   1HD2  LEU  45          1HD2      LEU  45   2.424   4.526  -4.142
  367   2HD2  LEU  45          2HD2      LEU  45   2.468   5.628  -2.766
  368   3HD2  LEU  45          3HD2      LEU  45   3.813   5.586  -3.908
  369    H    LYS  46           H        LYS  46  -1.687   6.850  -7.590
  370    HA   LYS  46           HA       LYS  46   0.481   6.241  -9.419
  371   1HB   LYS  46          2HB       LYS  46  -1.891   5.469  -9.808
  372   2HB   LYS  46          1HB       LYS  46  -2.278   7.133 -10.222
  373   1HG   LYS  46          2HG       LYS  46  -1.850   5.693 -12.187
  374   2HG   LYS  46          1HG       LYS  46  -0.764   7.081 -12.085
  375   1HD   LYS  46          2HD       LYS  46   1.005   5.695 -11.214
  376   2HD   LYS  46          1HD       LYS  46  -0.078   4.306 -11.114
  377   1HE   LYS  46          2HE       LYS  46   0.497   5.690 -13.716
  378   2HE   LYS  46          1HE       LYS  46   1.534   4.408 -13.091
  379   1HZ   LYS  46          1HZ       LYS  46  -1.383   4.136 -13.606
  380   2HZ   LYS  46          2HZ       LYS  46  -0.326   2.906 -13.098
  381   3HZ   LYS  46          3HZ       LYS  46  -0.154   3.587 -14.642
  382    H    GLU  47           H        GLU  47   1.919   7.688  -9.490
  383    HA   GLU  47           HA       GLU  47   1.684  10.005 -11.021
  384   1HB   GLU  47          2HB       GLU  47   0.547  10.898  -8.979
  385   2HB   GLU  47          1HB       GLU  47   1.994  10.537  -8.047
  386   1HG   GLU  47          2HG       GLU  47   1.858  12.894  -8.635
  387   2HG   GLU  47          1HG       GLU  47   3.265  12.122  -9.366
  388    H    ASN  48           H        ASN  48   3.453   9.332  -8.031
  389    HA   ASN  48           HA       ASN  48   5.985   9.328  -9.473
  390   1HB   ASN  48          2HB       ASN  48   5.401   9.035  -6.516
  391   2HB   ASN  48          1HB       ASN  48   7.003   9.171  -7.225
  392   1HD2  ASN  48          1HD2      ASN  48   6.303  11.192  -9.148
  393   2HD2  ASN  48          2HD2      ASN  48   6.044  12.656  -8.257
  394    H    LYS  49           H        LYS  49   3.675   7.163  -8.124
  395    HA   LYS  49           HA       LYS  49   5.501   4.892  -8.492
  396   1HB   LYS  49          2HB       LYS  49   3.604   5.346  -6.205
  397   2HB   LYS  49          1HB       LYS  49   4.435   3.830  -6.516
  398   1HG   LYS  49          2HG       LYS  49   5.778   6.454  -5.991
  399   2HG   LYS  49          1HG       LYS  49   5.517   5.187  -4.791
  400   1HD   LYS  49          2HD       LYS  49   6.779   3.631  -6.301
  401   2HD   LYS  49          1HD       LYS  49   7.198   5.037  -7.281
  402   1HE   LYS  49          2HE       LYS  49   8.254   6.062  -5.308
  403   2HE   LYS  49          1HE       LYS  49   7.881   4.611  -4.377
  404   1HZ   LYS  49          1HZ       LYS  49   9.215   3.350  -6.036
  405   2HZ   LYS  49          2HZ       LYS  49  10.114   4.450  -5.113
  406   3HZ   LYS  49          3HZ       LYS  49   9.693   4.829  -6.714
  407    H    GLY  50           H        GLY  50   4.103   2.796  -8.162
  408   1HA   GLY  50          2HA       GLY  50   1.476   3.113  -9.441
  409   2HA   GLY  50          1HA       GLY  50   2.638   1.958 -10.083
  410    H    GLN  51           H        GLN  51   3.293   1.875  -6.912
  411    HA   GLN  51           HA       GLN  51   1.069   0.184  -6.109
  412   1HB   GLN  51          2HB       GLN  51   2.575  -1.656  -5.426
  413   2HB   GLN  51          1HB       GLN  51   2.498  -1.434  -7.170
  414   1HG   GLN  51          2HG       GLN  51   4.635  -0.219  -7.086
  415   2HG   GLN  51          1HG       GLN  51   4.703  -0.490  -5.346
  416   1HE2  GLN  51          1HE2      GLN  51   3.566  -3.188  -5.601
  417   2HE2  GLN  51          2HE2      GLN  51   4.845  -4.184  -6.212
  418    H    ARG  52           H        ARG  52   0.804  -0.122  -3.998
  419    HA   ARG  52           HA       ARG  52   2.787   0.920  -2.134
  420   1HB   ARG  52          2HB       ARG  52  -0.175   1.499  -1.998
  421   2HB   ARG  52          1HB       ARG  52   0.987   1.884  -0.745
  422   1HG   ARG  52          2HG       ARG  52   2.114   3.356  -2.416
  423   2HG   ARG  52          1HG       ARG  52   0.727   3.099  -3.464
  424   1HD   ARG  52          2HD       ARG  52   0.399   5.150  -2.261
  425   2HD   ARG  52          1HD       ARG  52  -0.730   3.951  -1.638
  426    HE   ARG  52           HE       ARG  52   1.230   3.687   0.116
  427   1HH1  ARG  52          1HH1      ARG  52  -0.161   6.623  -1.215
  428   2HH1  ARG  52          2HH1      ARG  52   0.159   7.563   0.206
  429   1HH2  ARG  52          1HH2      ARG  52   1.645   4.968   2.013
  430   2HH2  ARG  52          2HH2      ARG  52   1.189   6.638   2.007
  431    H    CYS  53           H        CYS  53   3.172  -0.515  -0.560
  432    HA   CYS  53           HA       CYS  53   0.966  -2.268   0.248
  433   1HB   CYS  53          2HB       CYS  53   2.709  -3.556  -1.015
  434   2HB   CYS  53          1HB       CYS  53   3.889  -3.077   0.201
  435    H    LEU  54           H        LEU  54   0.560  -2.095   2.444
  436    HA   LEU  54           HA       LEU  54   2.591  -0.655   4.006
  437   1HB   LEU  54          2HB       LEU  54  -0.319   0.041   3.733
  438   2HB   LEU  54          1HB       LEU  54   0.684   0.653   5.033
  439    HG   LEU  54           HG       LEU  54   1.072   1.161   2.085
  440   1HD1  LEU  54          1HD1      LEU  54  -0.789   2.377   3.103
  441   2HD1  LEU  54          2HD1      LEU  54   0.535   3.457   2.662
  442   3HD1  LEU  54          3HD1      LEU  54   0.299   2.991   4.348
  443   1HD2  LEU  54          1HD2      LEU  54   2.895   2.623   2.752
  444   2HD2  LEU  54          2HD2      LEU  54   3.213   0.966   3.268
  445   3HD2  LEU  54          3HD2      LEU  54   2.667   2.166   4.441
  446    H    ASN  55           H        ASN  55   1.987  -3.463   4.141
  447    HA   ASN  55           HA       ASN  55   1.606  -3.438   7.018
  448   1HB   ASN  55          2HB       ASN  55  -0.647  -3.976   6.022
  449   2HB   ASN  55          1HB       ASN  55   0.071  -5.450   5.375
  450   1HD2  ASN  55          1HD2      ASN  55  -1.231  -6.808   6.601
  451   2HD2  ASN  55          2HD2      ASN  55  -1.042  -6.965   8.314
  452    HA   PRO  56           HA       PRO  56   4.933  -6.419   5.922
  453   1HB   PRO  56          2HB       PRO  56   6.952  -5.165   7.184
  454   2HB   PRO  56          1HB       PRO  56   6.505  -4.759   5.522
  455   1HG   PRO  56          2HG       PRO  56   5.846  -3.332   8.065
  456   2HG   PRO  56          1HG       PRO  56   6.319  -2.662   6.494
  457   1HD   PRO  56          2HD       PRO  56   3.727  -2.802   7.398
  458   2HD   PRO  56          1HD       PRO  56   4.183  -2.749   5.684
  459    H    LYS  57           H        LYS  57   3.767  -4.683   8.654
  460    HA   LYS  57           HA       LYS  57   3.363  -6.807  10.360
  461   1HB   LYS  57          2HB       LYS  57   5.867  -6.954  10.411
  462   2HB   LYS  57          1HB       LYS  57   5.912  -5.327  11.074
  463   1HG   LYS  57          2HG       LYS  57   6.191  -6.938  12.839
  464   2HG   LYS  57          1HG       LYS  57   4.645  -6.113  13.033
  465   1HD   LYS  57          2HD       LYS  57   4.424  -8.511  13.443
  466   2HD   LYS  57          1HD       LYS  57   3.495  -8.020  12.024
  467   1HE   LYS  57          2HE       LYS  57   5.171  -8.884  10.551
  468   2HE   LYS  57          1HE       LYS  57   6.266  -9.195  11.896
  469   1HZ   LYS  57          1HZ       LYS  57   5.198 -11.218  11.143
  470   2HZ   LYS  57          2HZ       LYS  57   3.663 -10.560  11.430
  471   3HZ   LYS  57          3HZ       LYS  57   4.715 -10.851  12.727
  472    H    SER  58           H        SER  58   4.401  -3.456  10.129
  473    HA   SER  58           HA       SER  58   2.774  -2.675  12.395
  474   1HB   SER  58          2HB       SER  58   5.031  -1.666  11.988
  475   2HB   SER  58          1HB       SER  58   4.393  -0.935  10.516
  476    HG   SER  58           HG       SER  58   3.760  -0.383  13.207
  477    H    LYS  59           H        LYS  59   1.076  -1.163  12.244
  478    HA   LYS  59           HA       LYS  59  -0.536  -1.601   9.887
  479   1HB   LYS  59          2HB       LYS  59  -2.297  -0.413  11.266
  480   2HB   LYS  59          1HB       LYS  59  -1.694  -1.935  11.912
  481   1HG   LYS  59          2HG       LYS  59  -0.201  -0.664  13.417
  482   2HG   LYS  59          1HG       LYS  59  -0.907   0.834  12.808
  483   1HD   LYS  59          2HD       LYS  59  -3.084   0.180  13.641
  484   2HD   LYS  59          1HD       LYS  59  -2.441  -1.376  14.170
  485   1HE   LYS  59          2HE       LYS  59  -0.918  -0.190  15.701
  486   2HE   LYS  59          1HE       LYS  59  -1.644   1.340  15.209
  487   1HZ   LYS  59          1HZ       LYS  59  -3.054  -0.912  16.539
  488   2HZ   LYS  59          2HZ       LYS  59  -3.776   0.543  16.049
  489   3HZ   LYS  59          3HZ       LYS  59  -2.599   0.549  17.271
  490    H    GLN  60           H        GLN  60  -0.017  -0.335   8.240
  491    HA   GLN  60           HA       GLN  60  -0.109   2.589   8.654
  492   1HB   GLN  60          2HB       GLN  60   1.471   1.071   6.566
  493   2HB   GLN  60          1HB       GLN  60   1.376   2.820   6.702
  494   1HG   GLN  60          2HG       GLN  60   2.510   2.759   8.825
  495   2HG   GLN  60          1HG       GLN  60   2.522   0.993   8.800
  496   1HE2  GLN  60          1HE2      GLN  60   3.897  -0.077   7.392
  497   2HE2  GLN  60          2HE2      GLN  60   5.236   0.706   6.624
  498    H    ALA  61           H        ALA  61  -1.048  -0.188   6.792
  499    HA   ALA  61           HA       ALA  61  -2.443   1.147   4.722
  500   1HB   ALA  61          1HB       ALA  61  -2.880  -1.617   5.851
  501   2HB   ALA  61          2HB       ALA  61  -1.744  -1.201   4.569
  502   3HB   ALA  61          3HB       ALA  61  -3.479  -1.021   4.304
  503    H    ARG  62           H        ARG  62  -3.119   0.495   8.015
  504    HA   ARG  62           HA       ARG  62  -5.913   0.449   8.019
  505   1HB   ARG  62          2HB       ARG  62  -3.931   1.398  10.092
  506   2HB   ARG  62          1HB       ARG  62  -5.652   1.282  10.396
  507   1HG   ARG  62          2HG       ARG  62  -3.921  -1.032   9.573
  508   2HG   ARG  62          1HG       ARG  62  -4.343  -0.638  11.241
  509   1HD   ARG  62          2HD       ARG  62  -6.715  -0.903  10.698
  510   2HD   ARG  62          1HD       ARG  62  -6.288  -1.302   9.034
  511    HE   ARG  62           HE       ARG  62  -5.005  -3.006  10.962
  512   1HH1  ARG  62          1HH1      ARG  62  -7.985  -2.454   9.208
  513   2HH1  ARG  62          2HH1      ARG  62  -8.450  -4.131   9.208
  514   1HH2  ARG  62          1HH2      ARG  62  -5.629  -5.205  11.011
  515   2HH2  ARG  62          2HH2      ARG  62  -7.112  -5.701  10.251
  516    H    LEU  63           H        LEU  63  -3.606   3.072   8.067
  517    HA   LEU  63           HA       LEU  63  -5.349   5.235   8.401
  518   1HB   LEU  63          2HB       LEU  63  -2.953   5.445   8.640
  519   2HB   LEU  63          1HB       LEU  63  -2.716   5.004   6.961
  520    HG   LEU  63           HG       LEU  63  -3.893   7.103   6.306
  521   1HD1  LEU  63          1HD1      LEU  63  -5.171   7.420   8.374
  522   2HD1  LEU  63          2HD1      LEU  63  -4.205   8.842   7.974
  523   3HD1  LEU  63          3HD1      LEU  63  -3.669   7.741   9.243
  524   1HD2  LEU  63          1HD2      LEU  63  -1.442   7.369   8.040
  525   2HD2  LEU  63          2HD2      LEU  63  -1.997   8.566   6.870
  526   3HD2  LEU  63          3HD2      LEU  63  -1.473   6.973   6.323
  527    H    ILE  64           H        ILE  64  -4.443   3.425   5.562
  528    HA   ILE  64           HA       ILE  64  -5.807   5.347   3.890
  529    HB   ILE  64           HB       ILE  64  -4.159   2.899   3.208
  530   1HG1  ILE  64          2HG1      ILE  64  -3.662   5.876   3.063
  531   2HG1  ILE  64          1HG1      ILE  64  -2.818   4.696   4.057
  532   1HG2  ILE  64          1HG2      ILE  64  -4.253   3.607   0.866
  533   2HG2  ILE  64          2HG2      ILE  64  -5.365   4.907   1.294
  534   3HG2  ILE  64          3HG2      ILE  64  -5.863   3.225   1.475
  535   1HD1  ILE  64          1HD1      ILE  64  -2.724   4.837   1.055
  536   2HD1  ILE  64          2HD1      ILE  64  -1.836   3.706   2.079
  537   3HD1  ILE  64          3HD1      ILE  64  -1.482   5.433   2.156
  538    H    ILE  65           H        ILE  65  -6.710   2.782   5.687
  539    HA   ILE  65           HA       ILE  65  -8.487   1.372   4.026
  540    HB   ILE  65           HB       ILE  65  -8.456   1.815   7.005
  541   1HG1  ILE  65          2HG1      ILE  65  -6.738   0.326   6.128
  542   2HG1  ILE  65          1HG1      ILE  65  -7.925  -0.596   7.045
  543   1HG2  ILE  65          1HG2      ILE  65 -10.786   1.631   6.301
  544   2HG2  ILE  65          2HG2      ILE  65 -10.278   0.209   7.217
  545   3HG2  ILE  65          3HG2      ILE  65 -10.414   0.126   5.460
  546   1HD1  ILE  65          1HD1      ILE  65  -8.977  -1.308   4.955
  547   2HD1  ILE  65          2HD1      ILE  65  -7.278  -1.776   5.032
  548   3HD1  ILE  65          3HD1      ILE  65  -7.771  -0.399   4.045
  549    H    LYS  66           H        LYS  66  -8.833   4.261   6.007
  550    HA   LYS  66           HA       LYS  66 -11.586   4.622   5.464
  551   1HB   LYS  66          2HB       LYS  66  -9.443   6.505   6.435
  552   2HB   LYS  66          1HB       LYS  66 -11.107   7.018   6.201
  553   1HG   LYS  66          2HG       LYS  66 -11.849   5.348   7.825
  554   2HG   LYS  66          1HG       LYS  66 -10.174   4.843   8.060
  555   1HD   LYS  66          2HD       LYS  66 -11.110   7.667   8.506
  556   2HD   LYS  66          1HD       LYS  66 -11.111   6.448   9.781
  557   1HE   LYS  66          2HE       LYS  66  -8.664   7.194   8.188
  558   2HE   LYS  66          1HE       LYS  66  -9.093   7.951   9.724
  559   1HZ   LYS  66          1HZ       LYS  66  -8.565   5.054   9.304
  560   2HZ   LYS  66          2HZ       LYS  66  -8.997   5.771  10.774
  561   3HZ   LYS  66          3HZ       LYS  66  -7.516   6.155  10.052
  562    H    LYS  67           H        LYS  67  -9.012   4.763   3.411
  563    HA   LYS  67           HA       LYS  67 -10.119   6.931   1.800
  564   1HB   LYS  67          2HB       LYS  67  -7.638   5.265   1.341
  565   2HB   LYS  67          1HB       LYS  67  -8.184   6.574   0.291
  566   1HG   LYS  67          2HG       LYS  67  -7.885   8.172   2.096
  567   2HG   LYS  67          1HG       LYS  67  -7.390   6.875   3.187
  568   1HD   LYS  67          2HD       LYS  67  -5.446   6.422   1.816
  569   2HD   LYS  67          1HD       LYS  67  -5.968   7.625   0.634
  570   1HE   LYS  67          2HE       LYS  67  -5.694   9.394   2.261
  571   2HE   LYS  67          1HE       LYS  67  -5.288   8.222   3.512
  572   1HZ   LYS  67          1HZ       LYS  67  -3.699   8.629   1.030
  573   2HZ   LYS  67          2HZ       LYS  67  -3.285   7.673   2.361
  574   3HZ   LYS  67          3HZ       LYS  67  -3.339   9.355   2.526
  575    H    VAL  68           H        VAL  68  -9.272   3.525   1.549
  576    HA   VAL  68           HA       VAL  68 -10.588   3.111  -0.941
  577    HB   VAL  68           HB       VAL  68 -10.152   0.877   1.005
  578   1HG1  VAL  68          1HG1      VAL  68  -9.791   1.124  -1.975
  579   2HG1  VAL  68          2HG1      VAL  68 -11.147   0.362  -1.144
  580   3HG1  VAL  68          3HG1      VAL  68  -9.534  -0.342  -1.029
  581   1HG2  VAL  68          1HG2      VAL  68  -7.789   0.745   0.272
  582   2HG2  VAL  68          2HG2      VAL  68  -8.142   2.163   1.259
  583   3HG2  VAL  68          3HG2      VAL  68  -7.979   2.326  -0.489
  584    H    GLU  69           H        GLU  69 -11.573   3.278   2.346
  585    HA   GLU  69           HA       GLU  69 -13.958   1.748   2.165
  586   1HB   GLU  69          2HB       GLU  69 -12.668   2.603   4.246
  587   2HB   GLU  69          1HB       GLU  69 -13.585   4.088   4.015
  588   1HG   GLU  69          2HG       GLU  69 -14.790   2.829   5.580
  589   2HG   GLU  69          1HG       GLU  69 -15.648   2.662   4.049
  590    H    ARG  70           H        ARG  70 -13.043   4.917   1.214
  591    HA   ARG  70           HA       ARG  70 -15.684   6.024   1.040
  592   1HB   ARG  70          2HB       ARG  70 -13.651   7.386   1.423
  593   2HB   ARG  70          1HB       ARG  70 -13.079   6.954  -0.181
  594   1HG   ARG  70          2HG       ARG  70 -15.017   8.089  -1.164
  595   2HG   ARG  70          1HG       ARG  70 -15.554   8.543   0.458
  596   1HD   ARG  70          2HD       ARG  70 -13.454   9.760   0.799
  597   2HD   ARG  70          1HD       ARG  70 -12.942   9.325  -0.831
  598    HE   ARG  70           HE       ARG  70 -15.301  10.569  -1.261
  599   1HH1  ARG  70          1HH1      ARG  70 -12.452  11.433   0.589
  600   2HH1  ARG  70          2HH1      ARG  70 -12.635  13.142   0.325
  601   1HH2  ARG  70          1HH2      ARG  70 -15.554  12.827  -1.601
  602   2HH2  ARG  70          2HH2      ARG  70 -14.420  13.931  -0.875
  603    H    LYS  71           H        LYS  71 -13.651   4.087  -0.931
  604    HA   LYS  71           HA       LYS  71 -14.814   4.708  -3.465
  605   1HB   LYS  71          2HB       LYS  71 -12.549   3.535  -2.900
  606   2HB   LYS  71          1HB       LYS  71 -13.523   2.078  -2.792
  607   1HG   LYS  71          2HG       LYS  71 -14.296   2.488  -5.117
  608   2HG   LYS  71          1HG       LYS  71 -13.161   3.838  -5.205
  609   1HD   LYS  71          2HD       LYS  71 -11.395   2.098  -4.475
  610   2HD   LYS  71          1HD       LYS  71 -12.597   0.904  -4.963
  611   1HE   LYS  71          2HE       LYS  71 -11.354   3.038  -6.689
  612   2HE   LYS  71          1HE       LYS  71 -11.067   1.303  -6.780
  613   1HZ   LYS  71          1HZ       LYS  71 -13.547   2.768  -7.470
  614   2HZ   LYS  71          2HZ       LYS  71 -13.499   1.082  -7.298
  615   3HZ   LYS  71          3HZ       LYS  71 -12.562   1.843  -8.496
  616    H    ASN  72           H        ASN  72 -16.615   3.849  -4.398
  617    HA   ASN  72           HA       ASN  72 -18.373   2.380  -2.609
  618   1HB   ASN  72          2HB       ASN  72 -18.918   3.481  -5.378
  619   2HB   ASN  72          1HB       ASN  72 -20.121   2.822  -4.275
  620   1HD2  ASN  72          1HD2      ASN  72 -18.232   5.552  -5.130
  621   2HD2  ASN  72          2HD2      ASN  72 -18.857   6.633  -3.933
  622    H    PHE  73           H        PHE  73 -16.663   1.919  -5.632
  623    HA   PHE  73           HA       PHE  73 -17.218  -0.956  -5.415
  624   1HB   PHE  73          2HB       PHE  73 -17.239   0.632  -7.995
  625   2HB   PHE  73          1HB       PHE  73 -17.385  -1.116  -7.876
  626    HD1  PHE  73           1HD      PHE  73 -19.399  -2.075  -6.704
  627    HD2  PHE  73           2HD      PHE  73 -19.104   2.023  -7.811
  628    HE1  PHE  73           1HE      PHE  73 -21.841  -1.853  -6.518
  629    HE2  PHE  73           2HE      PHE  73 -21.546   2.253  -7.628
  630    HZ   PHE  73           HZ       PHE  73 -22.919   0.312  -6.978
  Start of MODEL    8
    1   1H    PHE   1          1HT       PHE   1   0.288 -15.140 -16.962
    2   2H    PHE   1          2HT       PHE   1   1.125 -16.039 -18.126
    3   3H    PHE   1          3HT       PHE   1  -0.495 -15.617 -18.389
    4    HA   PHE   1           HA       PHE   1   0.935 -14.221 -19.703
    5   1HB   PHE   1          2HB       PHE   1  -0.343 -12.810 -17.348
    6   2HB   PHE   1          1HB       PHE   1   0.203 -11.999 -18.811
    7    HD1  PHE   1           1HD      PHE   1  -2.570 -13.337 -17.202
    8    HD2  PHE   1           2HD      PHE   1  -0.761 -13.094 -21.047
    9    HE1  PHE   1           1HE      PHE   1  -4.753 -13.770 -18.253
   10    HE2  PHE   1           2HE      PHE   1  -2.939 -13.528 -22.104
   11    HZ   PHE   1           HZ       PHE   1  -4.938 -13.865 -20.707
   12    HA   PRO   2           HA       PRO   2   4.949 -13.054 -18.242
   13   1HB   PRO   2          2HB       PRO   2   5.181 -10.508 -19.269
   14   2HB   PRO   2          1HB       PRO   2   5.448 -11.988 -20.199
   15   1HG   PRO   2          2HG       PRO   2   3.022 -10.243 -20.062
   16   2HG   PRO   2          1HG       PRO   2   3.754 -11.039 -21.469
   17   1HD   PRO   2          2HD       PRO   2   1.563 -12.029 -20.277
   18   2HD   PRO   2          1HD       PRO   2   2.811 -13.092 -20.958
   19    H    MET   3           H        MET   3   4.705 -12.916 -16.040
   20    HA   MET   3           HA       MET   3   3.680 -10.397 -14.944
   21   1HB   MET   3          2HB       MET   3   3.781 -11.828 -12.749
   22   2HB   MET   3          1HB       MET   3   2.462 -12.029 -13.888
   23   1HG   MET   3          2HG       MET   3   3.163 -14.183 -13.173
   24   2HG   MET   3          1HG       MET   3   3.656 -13.975 -14.850
   25   1HE   MET   3          1HE       MET   3   5.269 -16.084 -14.630
   26   2HE   MET   3          2HE       MET   3   4.750 -16.281 -12.957
   27   3HE   MET   3          3HE       MET   3   6.469 -16.258 -13.350
   28    H    PHE   4           H        PHE   4   6.515 -12.319 -15.244
   29    HA   PHE   4           HA       PHE   4   8.695 -11.935 -14.788
   30   1HB   PHE   4          2HB       PHE   4   7.844  -9.095 -14.188
   31   2HB   PHE   4          1HB       PHE   4   9.475  -9.647 -14.554
   32    HD1  PHE   4           1HD      PHE   4   9.692 -10.914 -16.870
   33    HD2  PHE   4           2HD      PHE   4   6.611  -8.157 -15.873
   34    HE1  PHE   4           1HE      PHE   4   9.293 -10.498 -19.263
   35    HE2  PHE   4           2HE      PHE   4   6.206  -7.736 -18.260
   36    HZ   PHE   4           HZ       PHE   4   7.548  -8.908 -19.959
   37    H    LYS   5           H        LYS   5  10.114 -10.658 -12.945
   38    HA   LYS   5           HA       LYS   5  10.797 -10.660 -10.787
   39   1HB   LYS   5          2HB       LYS   5   7.834 -10.579 -10.191
   40   2HB   LYS   5          1HB       LYS   5   9.108 -10.313  -9.009
   41   1HG   LYS   5          2HG       LYS   5   9.850  -8.342 -10.250
   42   2HG   LYS   5          1HG       LYS   5   8.580  -8.617 -11.443
   43   1HD   LYS   5          2HD       LYS   5   6.883  -8.340  -9.702
   44   2HD   LYS   5          1HD       LYS   5   8.152  -8.055  -8.509
   45   1HE   LYS   5          2HE       LYS   5   7.193  -5.949  -9.251
   46   2HE   LYS   5          1HE       LYS   5   8.874  -6.075  -9.764
   47   1HZ   LYS   5          1HZ       LYS   5   8.188  -6.592 -11.976
   48   2HZ   LYS   5          2HZ       LYS   5   7.332  -5.210 -11.492
   49   3HZ   LYS   5          3HZ       LYS   5   6.560  -6.721 -11.513
   50    H    ARG   6           H        ARG   6   9.966 -11.889  -8.502
   51    HA   ARG   6           HA       ARG   6  10.084 -14.717  -9.286
   52   1HB   ARG   6          2HB       ARG   6  12.031 -14.255  -8.087
   53   2HB   ARG   6          1HB       ARG   6  11.206 -13.189  -6.962
   54   1HG   ARG   6          2HG       ARG   6  10.078 -15.144  -5.972
   55   2HG   ARG   6          1HG       ARG   6  10.988 -16.190  -7.064
   56   1HD   ARG   6          2HD       ARG   6  12.466 -14.254  -5.346
   57   2HD   ARG   6          1HD       ARG   6  11.822 -15.724  -4.615
   58    HE   ARG   6           HE       ARG   6  13.154 -16.974  -6.271
   59   1HH1  ARG   6          1HH1      ARG   6  13.997 -13.624  -5.694
   60   2HH1  ARG   6          2HH1      ARG   6  15.682 -13.854  -6.065
   61   1HH2  ARG   6          1HH2      ARG   6  15.372 -17.285  -6.725
   62   2HH2  ARG   6          2HH2      ARG   6  16.465 -15.933  -6.639
   63    H    GLY   7           H        GLY   7   8.267 -15.828  -9.029
   64   1HA   GLY   7          2HA       GLY   7   6.972 -17.005  -7.388
   65   2HA   GLY   7          1HA       GLY   7   6.899 -15.528  -6.447
   66    H    ARG   8           H        ARG   8   4.821 -15.138  -6.262
   67    HA   ARG   8           HA       ARG   8   3.154 -15.001  -8.684
   68   1HB   ARG   8          2HB       ARG   8   2.745 -17.117  -7.449
   69   2HB   ARG   8          1HB       ARG   8   2.370 -16.189  -6.010
   70   1HG   ARG   8          2HG       ARG   8   0.297 -16.794  -6.862
   71   2HG   ARG   8          1HG       ARG   8   0.504 -15.126  -7.393
   72   1HD   ARG   8          2HD       ARG   8   1.384 -17.341  -9.179
   73   2HD   ARG   8          1HD       ARG   8  -0.334 -16.982  -9.048
   74    HE   ARG   8           HE       ARG   8   0.680 -14.559  -9.558
   75   1HH1  ARG   8          1HH1      ARG   8   1.277 -17.664 -11.062
   76   2HH1  ARG   8          2HH1      ARG   8   1.515 -17.006 -12.651
   77   1HH2  ARG   8          1HH2      ARG   8   0.992 -13.671 -11.660
   78   2HH2  ARG   8          2HH2      ARG   8   1.329 -14.741 -12.986
   79    H    CYS   9           H        CYS   9   2.852 -14.447  -5.185
   80    HA   CYS   9           HA       CYS   9   1.933 -11.711  -5.742
   81   1HB   CYS   9          2HB       CYS   9   1.051 -12.178  -3.218
   82   2HB   CYS   9          1HB       CYS   9   0.101 -12.537  -4.661
   83    H    LEU  10           H        LEU  10   3.830 -10.584  -5.595
   84    HA   LEU  10           HA       LEU  10   5.130 -10.562  -2.978
   85   1HB   LEU  10          2HB       LEU  10   6.427 -12.110  -4.398
   86   2HB   LEU  10          1HB       LEU  10   6.631 -10.838  -5.586
   87    HG   LEU  10           HG       LEU  10   7.900  -9.518  -3.911
   88   1HD1  LEU  10          1HD1      LEU  10   6.914 -10.476  -1.892
   89   2HD1  LEU  10          2HD1      LEU  10   8.673 -10.602  -1.870
   90   3HD1  LEU  10          3HD1      LEU  10   7.693 -12.020  -2.242
   91   1HD2  LEU  10          1HD2      LEU  10   9.067 -10.919  -5.530
   92   2HD2  LEU  10          2HD2      LEU  10   8.964 -12.291  -4.427
   93   3HD2  LEU  10          3HD2      LEU  10   9.927 -10.879  -3.991
   94    H    CYS  11           H        CYS  11   4.816  -8.532  -2.359
   95    HA   CYS  11           HA       CYS  11   5.854  -6.418  -4.077
   96   1HB   CYS  11          2HB       CYS  11   3.947  -4.956  -3.649
   97   2HB   CYS  11          1HB       CYS  11   3.396  -6.436  -4.423
   98    H    ILE  12           H        ILE  12   6.875  -4.790  -2.967
   99    HA   ILE  12           HA       ILE  12   6.484  -4.098  -0.299
  100    HB   ILE  12           HB       ILE  12   7.343  -6.279   0.297
  101   1HG1  ILE  12          2HG1      ILE  12   9.436  -4.157   0.814
  102   2HG1  ILE  12          1HG1      ILE  12   7.938  -4.342   1.719
  103   1HG2  ILE  12          1HG2      ILE  12   8.614  -6.793  -1.701
  104   2HG2  ILE  12          2HG2      ILE  12   9.614  -6.999  -0.264
  105   3HG2  ILE  12          3HG2      ILE  12   9.812  -5.568  -1.277
  106   1HD1  ILE  12          1HD1      ILE  12  10.184  -6.342   1.583
  107   2HD1  ILE  12          2HD1      ILE  12   8.676  -6.549   2.473
  108   3HD1  ILE  12          3HD1      ILE  12   9.806  -5.277   2.937
  109    H    GLY  13           H        GLY  13   7.171  -2.061  -0.241
  110   1HA   GLY  13          2HA       GLY  13   9.433  -0.832  -0.407
  111   2HA   GLY  13          1HA       GLY  13   9.319  -1.278  -2.084
  112    HA   PRO  14           HA       PRO  14   6.970   2.140  -3.482
  113   1HB   PRO  14          2HB       PRO  14   4.814   0.100  -3.875
  114   2HB   PRO  14          1HB       PRO  14   5.389   1.351  -4.987
  115   1HG   PRO  14          2HG       PRO  14   6.139  -1.186  -5.258
  116   2HG   PRO  14          1HG       PRO  14   7.265   0.148  -5.571
  117   1HD   PRO  14          2HD       PRO  14   7.190  -1.733  -3.282
  118   2HD   PRO  14          1HD       PRO  14   8.558  -0.843  -3.955
  119    H    GLY  15           H        GLY  15   6.452   3.415  -1.830
  120   1HA   GLY  15          2HA       GLY  15   3.750   3.158  -0.807
  121   2HA   GLY  15          1HA       GLY  15   5.012   3.060   0.407
  122    H    VAL  16           H        VAL  16   3.618   4.904   1.088
  123    HA   VAL  16           HA       VAL  16   3.412   7.039   1.699
  124    HB   VAL  16           HB       VAL  16   5.273   8.476   1.820
  125   1HG1  VAL  16          1HG1      VAL  16   6.220   5.624   2.043
  126   2HG1  VAL  16          2HG1      VAL  16   5.375   6.554   3.281
  127   3HG1  VAL  16          3HG1      VAL  16   6.999   7.023   2.782
  128   1HG2  VAL  16          1HG2      VAL  16   6.664   6.773  -0.247
  129   2HG2  VAL  16          2HG2      VAL  16   7.391   8.114   0.639
  130   3HG2  VAL  16          3HG2      VAL  16   6.059   8.412  -0.480
  131    H    LYS  17           H        LYS  17   3.922   9.449   0.823
  132    HA   LYS  17           HA       LYS  17   3.273  11.081  -0.581
  133   1HB   LYS  17          2HB       LYS  17   4.862  10.137  -2.169
  134   2HB   LYS  17          1HB       LYS  17   3.649   8.996  -2.735
  135   1HG   LYS  17          2HG       LYS  17   2.316  10.783  -3.636
  136   2HG   LYS  17          1HG       LYS  17   3.408  11.987  -2.949
  137   1HD   LYS  17          2HD       LYS  17   5.207  11.217  -4.369
  138   2HD   LYS  17          1HD       LYS  17   4.188   9.922  -4.999
  139   1HE   LYS  17          2HE       LYS  17   4.346  11.822  -6.543
  140   2HE   LYS  17          1HE       LYS  17   2.695  11.533  -5.994
  141   1HZ   LYS  17          1HZ       LYS  17   2.922  13.345  -4.426
  142   2HZ   LYS  17          2HZ       LYS  17   3.248  13.885  -5.995
  143   3HZ   LYS  17          3HZ       LYS  17   4.526  13.609  -4.913
  144    H    ALA  18           H        ALA  18   1.286  11.301   0.281
  145    HA   ALA  18           HA       ALA  18  -0.953   9.710  -0.488
  146   1HB   ALA  18          1HB       ALA  18  -0.827  10.807   1.691
  147   2HB   ALA  18          2HB       ALA  18  -2.270  11.296   0.804
  148   3HB   ALA  18          3HB       ALA  18  -0.885  12.383   0.901
  149    H    VAL  19           H        VAL  19  -2.537  10.082  -1.904
  150    HA   VAL  19           HA       VAL  19  -2.509  12.505  -3.559
  151    HB   VAL  19           HB       VAL  19  -2.886  10.951  -5.588
  152   1HG1  VAL  19          1HG1      VAL  19  -0.926  12.380  -5.293
  153   2HG1  VAL  19          2HG1      VAL  19  -0.486  10.831  -6.013
  154   3HG1  VAL  19          3HG1      VAL  19  -0.166  11.133  -4.305
  155   1HG2  VAL  19          1HG2      VAL  19  -1.433   9.062  -3.740
  156   2HG2  VAL  19          2HG2      VAL  19  -1.762   8.794  -5.452
  157   3HG2  VAL  19          3HG2      VAL  19  -3.096   8.873  -4.301
  158    H    LYS  20           H        LYS  20  -4.463  10.940  -5.362
  159    HA   LYS  20           HA       LYS  20  -6.828  11.806  -4.078
  160   1HB   LYS  20          2HB       LYS  20  -6.199  10.266  -6.552
  161   2HB   LYS  20          1HB       LYS  20  -7.843  10.196  -5.935
  162   1HG   LYS  20          2HG       LYS  20  -7.929  11.925  -7.462
  163   2HG   LYS  20          1HG       LYS  20  -7.710  12.772  -5.931
  164   1HD   LYS  20          2HD       LYS  20  -6.265  13.740  -7.598
  165   2HD   LYS  20          1HD       LYS  20  -5.285  12.898  -6.395
  166   1HE   LYS  20          2HE       LYS  20  -4.536  12.509  -8.721
  167   2HE   LYS  20          1HE       LYS  20  -4.978  11.030  -7.875
  168   1HZ   LYS  20          1HZ       LYS  20  -6.812  12.474  -9.712
  169   2HZ   LYS  20          2HZ       LYS  20  -7.026  10.932  -9.050
  170   3HZ   LYS  20          3HZ       LYS  20  -5.811  11.194 -10.197
  171    H    VAL  21           H        VAL  21  -7.469  10.864  -2.239
  172    HA   VAL  21           HA       VAL  21  -6.755   8.150  -1.654
  173    HB   VAL  21           HB       VAL  21  -7.927   8.569   0.534
  174   1HG1  VAL  21          1HG1      VAL  21  -6.183  10.067   1.375
  175   2HG1  VAL  21          2HG1      VAL  21  -5.766  10.506  -0.281
  176   3HG1  VAL  21          3HG1      VAL  21  -5.524   8.852   0.280
  177   1HG2  VAL  21          1HG2      VAL  21  -9.498  10.280  -0.198
  178   2HG2  VAL  21          2HG2      VAL  21  -8.159  11.366  -0.573
  179   3HG2  VAL  21          3HG2      VAL  21  -8.470  10.894   1.098
  180    H    ALA  22           H        ALA  22  -8.450   8.308  -3.805
  181    HA   ALA  22           HA       ALA  22 -10.110   6.123  -3.163
  182   1HB   ALA  22          1HB       ALA  22 -11.603   7.850  -2.256
  183   2HB   ALA  22          2HB       ALA  22 -12.311   7.059  -3.663
  184   3HB   ALA  22          3HB       ALA  22 -11.605   8.667  -3.819
  185    H    ASP  23           H        ASP  23  -8.055   6.946  -4.959
  186    HA   ASP  23           HA       ASP  23  -9.305   6.243  -7.517
  187   1HB   ASP  23          2HB       ASP  23  -8.972   8.778  -7.376
  188   2HB   ASP  23          1HB       ASP  23  -7.258   8.456  -7.225
  189    H    ILE  24           H        ILE  24  -6.255   7.319  -6.256
  190    HA   ILE  24           HA       ILE  24  -4.926   4.745  -6.538
  191    HB   ILE  24           HB       ILE  24  -2.981   6.129  -7.576
  192   1HG1  ILE  24          2HG1      ILE  24  -4.003   7.680  -9.390
  193   2HG1  ILE  24          1HG1      ILE  24  -5.418   7.741  -8.348
  194   1HG2  ILE  24          1HG2      ILE  24  -3.698   5.353  -9.799
  195   2HG2  ILE  24          2HG2      ILE  24  -5.342   5.160  -9.190
  196   3HG2  ILE  24          3HG2      ILE  24  -4.041   4.160  -8.543
  197   1HD1  ILE  24          1HD1      ILE  24  -4.054   8.677  -6.556
  198   2HD1  ILE  24          2HD1      ILE  24  -3.997   9.669  -8.013
  199   3HD1  ILE  24          3HD1      ILE  24  -2.639   8.621  -7.607
  200    H    GLU  25           H        GLU  25  -2.883   4.822  -5.408
  201    HA   GLU  25           HA       GLU  25  -2.516   4.499  -3.218
  202   1HB   GLU  25          2HB       GLU  25  -1.831   6.857  -3.222
  203   2HB   GLU  25          1HB       GLU  25  -3.504   7.351  -2.998
  204   1HG   GLU  25          2HG       GLU  25  -3.490   5.985  -0.853
  205   2HG   GLU  25          1HG       GLU  25  -1.742   5.900  -1.036
  206    H    LYS  26           H        LYS  26  -4.165   3.045  -3.635
  207    HA   LYS  26           HA       LYS  26  -6.646   3.417  -2.190
  208   1HB   LYS  26          2HB       LYS  26  -7.143   4.141  -4.489
  209   2HB   LYS  26          1HB       LYS  26  -6.468   2.646  -5.119
  210   1HG   LYS  26          2HG       LYS  26  -8.254   1.385  -4.022
  211   2HG   LYS  26          1HG       LYS  26  -8.935   2.893  -3.406
  212   1HD   LYS  26          2HD       LYS  26  -9.316   3.683  -5.663
  213   2HD   LYS  26          1HD       LYS  26  -8.535   2.248  -6.325
  214   1HE   LYS  26          2HE       LYS  26 -10.294   0.852  -5.325
  215   2HE   LYS  26          1HE       LYS  26 -11.080   2.307  -4.709
  216   1HZ   LYS  26          1HZ       LYS  26 -11.503   3.048  -6.916
  217   2HZ   LYS  26          2HZ       LYS  26 -12.026   1.438  -6.821
  218   3HZ   LYS  26          3HZ       LYS  26 -10.560   1.807  -7.589
  219    H    ALA  27           H        ALA  27  -6.092   1.869  -0.774
  220    HA   ALA  27           HA       ALA  27  -4.675  -0.482  -1.616
  221   1HB   ALA  27          1HB       ALA  27  -3.848   0.620   0.294
  222   2HB   ALA  27          2HB       ALA  27  -4.546  -0.906   0.837
  223   3HB   ALA  27          3HB       ALA  27  -5.426   0.606   1.075
  224    H    SER  28           H        SER  28  -5.168  -2.494  -0.783
  225    HA   SER  28           HA       SER  28  -7.950  -3.262  -0.947
  226   1HB   SER  28          2HB       SER  28  -5.598  -5.103  -0.507
  227   2HB   SER  28          1HB       SER  28  -7.176  -5.492  -1.192
  228    HG   SER  28           HG       SER  28  -5.814  -3.521  -2.551
  229    H    ILE  29           H        ILE  29  -8.611  -4.978   0.685
  230    HA   ILE  29           HA       ILE  29  -8.173  -3.964   3.351
  231    HB   ILE  29           HB       ILE  29  -9.617  -6.480   2.489
  232   1HG1  ILE  29          2HG1      ILE  29 -10.686  -3.660   2.698
  233   2HG1  ILE  29          1HG1      ILE  29 -10.494  -4.600   1.223
  234   1HG2  ILE  29          1HG2      ILE  29  -9.283  -6.414   4.861
  235   2HG2  ILE  29          2HG2      ILE  29 -10.972  -6.015   4.549
  236   3HG2  ILE  29          3HG2      ILE  29  -9.822  -4.737   4.941
  237   1HD1  ILE  29          1HD1      ILE  29 -12.362  -5.259   3.485
  238   2HD1  ILE  29          2HD1      ILE  29 -12.186  -6.168   1.983
  239   3HD1  ILE  29          3HD1      ILE  29 -12.814  -4.520   1.950
  240    H    MET  30           H        MET  30  -7.484  -5.695   5.089
  241    HA   MET  30           HA       MET  30  -4.889  -6.447   4.085
  242   1HB   MET  30          2HB       MET  30  -5.194  -5.245   6.254
  243   2HB   MET  30          1HB       MET  30  -5.948  -6.694   6.903
  244   1HG   MET  30          2HG       MET  30  -3.881  -7.940   6.542
  245   2HG   MET  30          1HG       MET  30  -3.125  -6.496   5.875
  246   1HE   MET  30          1HE       MET  30  -4.624  -8.183   9.084
  247   2HE   MET  30          2HE       MET  30  -5.596  -6.720   8.930
  248   3HE   MET  30          3HE       MET  30  -4.465  -6.893  10.273
  249    H    TYR  31           H        TYR  31  -5.350  -8.085   2.789
  250    HA   TYR  31           HA       TYR  31  -5.695 -10.702   3.994
  251   1HB   TYR  31          2HB       TYR  31  -7.610  -9.450   2.038
  252   2HB   TYR  31          1HB       TYR  31  -7.289 -11.193   1.931
  253    HD1  TYR  31           1HD      TYR  31  -9.146  -8.606   3.596
  254    HD2  TYR  31           2HD      TYR  31  -7.681 -12.574   4.046
  255    HE1  TYR  31           1HE      TYR  31 -10.755  -8.988   5.414
  256    HE2  TYR  31           2HE      TYR  31  -9.288 -12.969   5.861
  257    HH   TYR  31           HH       TYR  31 -10.562 -11.676   7.495
  258    HA   PRO  32           HA       PRO  32  -2.724 -12.011   0.925
  259   1HB   PRO  32          2HB       PRO  32  -4.819 -13.894  -0.036
  260   2HB   PRO  32          1HB       PRO  32  -3.138 -14.208   0.401
  261   1HG   PRO  32          2HG       PRO  32  -5.191 -14.865   2.007
  262   2HG   PRO  32          1HG       PRO  32  -3.613 -14.367   2.637
  263   1HD   PRO  32          2HD       PRO  32  -6.175 -12.905   2.624
  264   2HD   PRO  32          1HD       PRO  32  -4.774 -12.727   3.686
  265    H    SER  33           H        SER  33  -2.421 -12.119  -1.417
  266    HA   SER  33           HA       SER  33  -4.115 -10.513  -3.031
  267   1HB   SER  33          2HB       SER  33  -1.664 -10.979  -3.430
  268   2HB   SER  33          1HB       SER  33  -2.118 -12.605  -3.946
  269    HG   SER  33           HG       SER  33  -3.066 -10.196  -5.124
  270    H    ASN  34           H        ASN  34  -5.152 -12.875  -1.523
  271    HA   ASN  34           HA       ASN  34  -7.062 -13.990  -1.563
  272   1HB   ASN  34          2HB       ASN  34  -7.708 -12.349  -3.432
  273   2HB   ASN  34          1HB       ASN  34  -7.328 -13.660  -4.545
  274   1HD2  ASN  34          1HD2      ASN  34  -9.372 -13.987  -5.277
  275   2HD2  ASN  34          2HD2      ASN  34 -10.657 -14.589  -4.284
  276    H    ASN  35           H        ASN  35  -4.318 -14.890  -3.228
  277    HA   ASN  35           HA       ASN  35  -5.178 -17.687  -2.974
  278   1HB   ASN  35          2HB       ASN  35  -5.297 -16.892  -5.419
  279   2HB   ASN  35          1HB       ASN  35  -3.541 -16.786  -5.346
  280   1HD2  ASN  35          1HD2      ASN  35  -5.537 -19.197  -3.744
  281   2HD2  ASN  35          2HD2      ASN  35  -4.956 -20.547  -4.650
  282    H    CYS  36           H        CYS  36  -3.547 -15.625  -1.586
  283    HA   CYS  36           HA       CYS  36  -0.821 -16.676  -1.986
  284   1HB   CYS  36          2HB       CYS  36  -1.602 -14.139  -2.151
  285   2HB   CYS  36          1HB       CYS  36  -1.327 -14.209  -0.405
  286    H    ASP  37           H        ASP  37  -3.361 -16.333   0.305
  287    HA   ASP  37           HA       ASP  37  -3.632 -16.794   2.490
  288   1HB   ASP  37          2HB       ASP  37  -1.521 -18.780   1.739
  289   2HB   ASP  37          1HB       ASP  37  -2.110 -18.674   3.397
  290    H    LYS  38           H        LYS  38  -1.123 -15.011   1.509
  291    HA   LYS  38           HA       LYS  38  -0.383 -14.472   4.311
  292   1HB   LYS  38          2HB       LYS  38   1.653 -13.510   3.591
  293   2HB   LYS  38          1HB       LYS  38   1.514 -14.993   2.671
  294   1HG   LYS  38          2HG       LYS  38   0.822 -13.772   0.715
  295   2HG   LYS  38          1HG       LYS  38   0.740 -12.278   1.657
  296   1HD   LYS  38          2HD       LYS  38   3.126 -12.314   2.005
  297   2HD   LYS  38          1HD       LYS  38   3.254 -13.879   1.199
  298   1HE   LYS  38          2HE       LYS  38   3.916 -11.946  -0.219
  299   2HE   LYS  38          1HE       LYS  38   2.619 -12.928  -0.898
  300   1HZ   LYS  38          1HZ       LYS  38   2.287 -10.475  -1.063
  301   2HZ   LYS  38          2HZ       LYS  38   2.135 -10.431   0.623
  302   3HZ   LYS  38          3HZ       LYS  38   1.018 -11.305  -0.303
  303    H    ILE  39           H        ILE  39  -0.753 -12.373   5.039
  304    HA   ILE  39           HA       ILE  39  -2.837 -11.098   3.461
  305    HB   ILE  39           HB       ILE  39  -3.263  -9.707   5.479
  306   1HG1  ILE  39          2HG1      ILE  39  -1.218 -11.531   6.777
  307   2HG1  ILE  39          1HG1      ILE  39  -0.981  -9.818   6.445
  308   1HG2  ILE  39          1HG2      ILE  39  -3.331 -12.700   5.759
  309   2HG2  ILE  39          2HG2      ILE  39  -4.591 -11.641   5.124
  310   3HG2  ILE  39          3HG2      ILE  39  -4.177 -11.592   6.837
  311   1HD1  ILE  39          1HD1      ILE  39  -2.786  -9.266   7.984
  312   2HD1  ILE  39          2HD1      ILE  39  -1.528 -10.215   8.779
  313   3HD1  ILE  39          3HD1      ILE  39  -3.045 -10.979   8.299
  314    H    GLU  40           H        GLU  40  -2.762  -9.132   2.587
  315    HA   GLU  40           HA       GLU  40  -0.369  -7.506   2.883
  316   1HB   GLU  40          2HB       GLU  40   0.007  -7.546   0.418
  317   2HB   GLU  40          1HB       GLU  40   0.314  -9.095   1.194
  318   1HG   GLU  40          2HG       GLU  40  -2.079  -9.692   0.523
  319   2HG   GLU  40          1HG       GLU  40  -1.995  -8.282  -0.533
  320    H    VAL  41           H        VAL  41  -0.570  -5.440   1.782
  321    HA   VAL  41           HA       VAL  41  -3.337  -4.776   1.075
  322    HB   VAL  41           HB       VAL  41  -1.465  -3.395   2.887
  323   1HG1  VAL  41          1HG1      VAL  41  -1.406  -1.819   1.005
  324   2HG1  VAL  41          2HG1      VAL  41  -2.293  -1.155   2.378
  325   3HG1  VAL  41          3HG1      VAL  41  -3.169  -1.785   0.984
  326   1HG2  VAL  41          1HG2      VAL  41  -3.530  -2.674   3.906
  327   2HG2  VAL  41          2HG2      VAL  41  -3.624  -4.400   3.538
  328   3HG2  VAL  41          3HG2      VAL  41  -4.448  -3.225   2.504
  329    H    ILE  42           H        ILE  42  -3.503  -4.570  -1.011
  330    HA   ILE  42           HA       ILE  42  -1.235  -3.662  -2.591
  331    HB   ILE  42           HB       ILE  42  -3.936  -4.613  -3.566
  332   1HG1  ILE  42          2HG1      ILE  42  -1.346  -6.163  -3.326
  333   2HG1  ILE  42          1HG1      ILE  42  -2.732  -6.349  -2.257
  334   1HG2  ILE  42          1HG2      ILE  42  -1.295  -4.230  -4.976
  335   2HG2  ILE  42          2HG2      ILE  42  -2.757  -3.265  -5.197
  336   3HG2  ILE  42          3HG2      ILE  42  -2.733  -4.957  -5.697
  337   1HD1  ILE  42          1HD1      ILE  42  -4.080  -7.092  -4.164
  338   2HD1  ILE  42          2HD1      ILE  42  -2.673  -8.121  -3.897
  339   3HD1  ILE  42          3HD1      ILE  42  -2.665  -6.941  -5.207
  340    H    ILE  43           H        ILE  43  -1.018  -1.580  -2.777
  341    HA   ILE  43           HA       ILE  43  -3.382   0.144  -3.144
  342    HB   ILE  43           HB       ILE  43  -0.852   1.447  -2.412
  343   1HG1  ILE  43          2HG1      ILE  43  -2.310  -0.149  -0.300
  344   2HG1  ILE  43          1HG1      ILE  43  -0.737  -0.573  -0.970
  345   1HG2  ILE  43          1HG2      ILE  43  -2.956   2.645  -2.628
  346   2HG2  ILE  43          2HG2      ILE  43  -2.310   2.774  -0.990
  347   3HG2  ILE  43          3HG2      ILE  43  -3.648   1.675  -1.327
  348   1HD1  ILE  43          1HD1      ILE  43  -1.448   1.816   0.696
  349   2HD1  ILE  43          2HD1      ILE  43   0.078   1.661  -0.174
  350   3HD1  ILE  43          3HD1      ILE  43  -0.339   0.502   1.094
  351    H    THR  44           H        THR  44  -2.886   2.031  -4.545
  352    HA   THR  44           HA       THR  44  -0.657   1.548  -6.357
  353    HB   THR  44           HB       THR  44  -2.292   0.381  -7.532
  354    HG1  THR  44           1HG      THR  44  -2.067   3.080  -8.363
  355   1HG2  THR  44          1HG2      THR  44  -4.238   2.605  -6.906
  356   2HG2  THR  44          2HG2      THR  44  -4.252   0.980  -6.221
  357   3HG2  THR  44          3HG2      THR  44  -4.580   1.213  -7.938
  358    H    LEU  45           H        LEU  45   0.314   3.517  -5.663
  359    HA   LEU  45           HA       LEU  45  -1.322   5.908  -5.853
  360   1HB   LEU  45          2HB       LEU  45   0.159   6.986  -4.519
  361   2HB   LEU  45          1HB       LEU  45   0.528   5.350  -4.027
  362    HG   LEU  45           HG       LEU  45   2.327   5.664  -6.025
  363   1HD1  LEU  45          1HD1      LEU  45   1.706   7.963  -6.467
  364   2HD1  LEU  45          2HD1      LEU  45   3.326   7.898  -5.771
  365   3HD1  LEU  45          3HD1      LEU  45   1.956   8.380  -4.772
  366   1HD2  LEU  45          1HD2      LEU  45   3.967   6.061  -4.266
  367   2HD2  LEU  45          2HD2      LEU  45   2.775   4.866  -3.757
  368   3HD2  LEU  45          3HD2      LEU  45   2.677   6.521  -3.156
  369    H    LYS  46           H        LYS  46  -1.517   6.906  -7.634
  370    HA   LYS  46           HA       LYS  46   0.109   5.905  -9.860
  371   1HB   LYS  46          2HB       LYS  46  -2.368   5.875  -9.959
  372   2HB   LYS  46          1HB       LYS  46  -2.358   7.631 -10.009
  373   1HG   LYS  46          2HG       LYS  46  -1.287   7.636 -12.139
  374   2HG   LYS  46          1HG       LYS  46  -1.011   5.892 -12.066
  375   1HD   LYS  46          2HD       LYS  46  -3.377   5.465 -12.185
  376   2HD   LYS  46          1HD       LYS  46  -3.737   7.189 -12.073
  377   1HE   LYS  46          2HE       LYS  46  -2.158   5.930 -14.309
  378   2HE   LYS  46          1HE       LYS  46  -3.893   6.233 -14.379
  379   1HZ   LYS  46          1HZ       LYS  46  -2.638   8.003 -15.445
  380   2HZ   LYS  46          2HZ       LYS  46  -1.794   8.308 -14.005
  381   3HZ   LYS  46          3HZ       LYS  46  -3.461   8.591 -14.086
  382    H    GLU  47           H        GLU  47   0.302   8.668  -7.964
  383    HA   GLU  47           HA       GLU  47   1.071  10.376 -10.179
  384   1HB   GLU  47          2HB       GLU  47  -0.155  11.254  -8.152
  385   2HB   GLU  47          1HB       GLU  47   1.332  11.015  -7.242
  386   1HG   GLU  47          2HG       GLU  47   2.502  12.546  -8.733
  387   2HG   GLU  47          1HG       GLU  47   1.023  12.779  -9.662
  388    H    ASN  48           H        ASN  48   2.833   9.390 -11.046
  389    HA   ASN  48           HA       ASN  48   5.031   8.997 -11.404
  390   1HB   ASN  48          2HB       ASN  48   5.293  11.025  -9.181
  391   2HB   ASN  48          1HB       ASN  48   6.668  10.402 -10.094
  392   1HD2  ASN  48          1HD2      ASN  48   6.913  10.967 -12.252
  393   2HD2  ASN  48          2HD2      ASN  48   6.036  12.284 -12.959
  394    H    LYS  49           H        LYS  49   4.053   6.912 -10.240
  395    HA   LYS  49           HA       LYS  49   6.259   5.828  -8.794
  396   1HB   LYS  49          2HB       LYS  49   4.990   6.993  -6.977
  397   2HB   LYS  49          1HB       LYS  49   3.635   5.929  -7.326
  398   1HG   LYS  49          2HG       LYS  49   4.760   5.000  -5.485
  399   2HG   LYS  49          1HG       LYS  49   5.171   3.995  -6.871
  400   1HD   LYS  49          2HD       LYS  49   7.158   4.390  -5.561
  401   2HD   LYS  49          1HD       LYS  49   7.292   5.257  -7.091
  402   1HE   LYS  49          2HE       LYS  49   6.613   7.327  -5.981
  403   2HE   LYS  49          1HE       LYS  49   6.456   6.463  -4.453
  404   1HZ   LYS  49          1HZ       LYS  49   8.808   6.004  -4.477
  405   2HZ   LYS  49          2HZ       LYS  49   8.564   7.674  -4.647
  406   3HZ   LYS  49          3HZ       LYS  49   8.979   6.737  -5.994
  407    H    GLY  50           H        GLY  50   2.772   5.107  -8.808
  408   1HA   GLY  50          2HA       GLY  50   1.995   3.708 -10.726
  409   2HA   GLY  50          1HA       GLY  50   3.393   2.696 -10.396
  410    H    GLN  51           H        GLN  51   3.435   2.235  -7.832
  411    HA   GLN  51           HA       GLN  51   0.795   1.304  -7.029
  412   1HB   GLN  51          2HB       GLN  51   1.791  -0.965  -6.513
  413   2HB   GLN  51          1HB       GLN  51   1.500  -0.617  -8.212
  414   1HG   GLN  51          2HG       GLN  51   4.189  -0.121  -7.003
  415   2HG   GLN  51          1HG       GLN  51   3.714  -1.749  -7.485
  416   1HE2  GLN  51          1HE2      GLN  51   5.788   0.091  -8.533
  417   2HE2  GLN  51          2HE2      GLN  51   5.452   0.234 -10.228
  418    H    ARG  52           H        ARG  52   0.719   0.459  -4.874
  419    HA   ARG  52           HA       ARG  52   3.017   1.167  -3.196
  420   1HB   ARG  52          2HB       ARG  52   0.240   1.430  -2.104
  421   2HB   ARG  52          1HB       ARG  52   1.721   2.158  -1.535
  422   1HG   ARG  52          2HG       ARG  52   1.646   3.662  -3.539
  423   2HG   ARG  52          1HG       ARG  52   0.001   3.022  -3.864
  424   1HD   ARG  52          2HD       ARG  52   0.281   5.201  -2.487
  425   2HD   ARG  52          1HD       ARG  52  -0.875   3.976  -1.973
  426    HE   ARG  52           HE       ARG  52   1.222   3.290  -0.516
  427   1HH1  ARG  52          1HH1      ARG  52   0.132   6.519  -1.253
  428   2HH1  ARG  52          2HH1      ARG  52   0.386   7.119   0.350
  429   1HH2  ARG  52          1HH2      ARG  52   1.585   4.087   1.623
  430   2HH2  ARG  52          2HH2      ARG  52   1.211   5.746   1.980
  431    H    CYS  53           H        CYS  53   3.492  -0.386  -1.653
  432    HA   CYS  53           HA       CYS  53   1.412  -2.379  -1.148
  433   1HB   CYS  53          2HB       CYS  53   2.894  -3.479  -2.723
  434   2HB   CYS  53          1HB       CYS  53   4.299  -3.048  -1.749
  435    H    LEU  54           H        LEU  54   0.972  -2.365   0.917
  436    HA   LEU  54           HA       LEU  54   3.114  -1.636   2.795
  437   1HB   LEU  54          2HB       LEU  54   1.223  -0.040   2.679
  438   2HB   LEU  54          1HB       LEU  54   0.132  -1.329   3.151
  439    HG   LEU  54           HG       LEU  54   1.311  -1.521   5.312
  440   1HD1  LEU  54          1HD1      LEU  54   3.509  -0.748   4.613
  441   2HD1  LEU  54          2HD1      LEU  54   2.912   0.207   5.972
  442   3HD1  LEU  54          3HD1      LEU  54   2.865   0.870   4.338
  443   1HD2  LEU  54          1HD2      LEU  54  -0.659  -0.105   5.135
  444   2HD2  LEU  54          2HD2      LEU  54   0.348   1.255   4.639
  445   3HD2  LEU  54          3HD2      LEU  54   0.505   0.588   6.264
  446    H    ASN  55           H        ASN  55   3.800  -3.187   4.062
  447    HA   ASN  55           HA       ASN  55   2.402  -5.702   4.235
  448   1HB   ASN  55          2HB       ASN  55   5.032  -4.680   5.272
  449   2HB   ASN  55          1HB       ASN  55   4.371  -6.196   5.869
  450   1HD2  ASN  55          1HD2      ASN  55   3.871  -5.122   2.582
  451   2HD2  ASN  55          2HD2      ASN  55   4.892  -6.302   1.837
  452    HA   PRO  56           HA       PRO  56   0.137  -4.956   7.921
  453   1HB   PRO  56          2HB       PRO  56   0.671  -7.700   8.817
  454   2HB   PRO  56          1HB       PRO  56  -0.851  -6.963   8.315
  455   1HG   PRO  56          2HG       PRO  56   0.396  -8.793   6.800
  456   2HG   PRO  56          1HG       PRO  56  -0.504  -7.440   6.088
  457   1HD   PRO  56          2HD       PRO  56   2.455  -7.750   6.475
  458   2HD   PRO  56          1HD       PRO  56   1.561  -7.141   5.064
  459    H    LYS  57           H        LYS  57   3.271  -4.865   8.042
  460    HA   LYS  57           HA       LYS  57   3.773  -5.445  10.824
  461   1HB   LYS  57          2HB       LYS  57   5.419  -5.292   8.700
  462   2HB   LYS  57          1HB       LYS  57   5.580  -3.643   9.289
  463   1HG   LYS  57          2HG       LYS  57   7.322  -5.100  10.179
  464   2HG   LYS  57          1HG       LYS  57   6.288  -4.467  11.463
  465   1HD   LYS  57          2HD       LYS  57   5.095  -6.539  11.612
  466   2HD   LYS  57          1HD       LYS  57   5.917  -7.176  10.188
  467   1HE   LYS  57          2HE       LYS  57   7.283  -6.433  12.770
  468   2HE   LYS  57          1HE       LYS  57   6.787  -8.068  12.336
  469   1HZ   LYS  57          1HZ       LYS  57   8.804  -6.380  10.956
  470   2HZ   LYS  57          2HZ       LYS  57   8.231  -7.852  10.341
  471   3HZ   LYS  57          3HZ       LYS  57   9.080  -7.823  11.810
  472    H    SER  58           H        SER  58   2.631  -2.877   8.881
  473    HA   SER  58           HA       SER  58   2.013  -1.350  11.285
  474   1HB   SER  58          2HB       SER  58   4.032  -0.291  10.274
  475   2HB   SER  58          1HB       SER  58   3.137  -0.078   8.769
  476    HG   SER  58           HG       SER  58   3.100   1.805  10.060
  477    H    LYS  59           H        LYS  59  -0.116  -1.752  11.229
  478    HA   LYS  59           HA       LYS  59  -1.570  -1.934   8.756
  479   1HB   LYS  59          2HB       LYS  59  -3.551  -2.269  10.295
  480   2HB   LYS  59          1HB       LYS  59  -2.250  -3.441  10.453
  481   1HG   LYS  59          2HG       LYS  59  -1.409  -2.083  12.393
  482   2HG   LYS  59          1HG       LYS  59  -2.910  -1.160  12.294
  483   1HD   LYS  59          2HD       LYS  59  -4.209  -3.162  12.679
  484   2HD   LYS  59          1HD       LYS  59  -2.747  -4.150  12.656
  485   1HE   LYS  59          2HE       LYS  59  -3.437  -2.012  14.670
  486   2HE   LYS  59          1HE       LYS  59  -3.471  -3.753  14.945
  487   1HZ   LYS  59          1HZ       LYS  59  -1.454  -2.864  15.840
  488   2HZ   LYS  59          2HZ       LYS  59  -1.081  -2.080  14.386
  489   3HZ   LYS  59          3HZ       LYS  59  -1.054  -3.774  14.464
  490    H    GLN  60           H        GLN  60  -0.734   0.407   8.378
  491    HA   GLN  60           HA       GLN  60  -2.534   2.428   9.457
  492   1HB   GLN  60          2HB       GLN  60  -0.169   2.997   9.071
  493   2HB   GLN  60          1HB       GLN  60  -0.347   2.612   7.364
  494   1HG   GLN  60          2HG       GLN  60  -2.001   4.439   7.171
  495   2HG   GLN  60          1HG       GLN  60  -1.684   4.859   8.853
  496   1HE2  GLN  60          1HE2      GLN  60  -0.962   6.909   8.286
  497   2HE2  GLN  60          2HE2      GLN  60   0.572   7.174   7.531
  498    H    ALA  61           H        ALA  61  -2.180   0.437   6.634
  499    HA   ALA  61           HA       ALA  61  -3.875   1.876   4.893
  500   1HB   ALA  61          1HB       ALA  61  -2.402   0.095   4.087
  501   2HB   ALA  61          2HB       ALA  61  -4.080  -0.220   3.645
  502   3HB   ALA  61          3HB       ALA  61  -3.344  -1.093   4.988
  503    H    ARG  62           H        ARG  62  -4.398   0.116   7.703
  504    HA   ARG  62           HA       ARG  62  -7.045  -0.740   7.489
  505   1HB   ARG  62          2HB       ARG  62  -5.663  -1.429   9.328
  506   2HB   ARG  62          1HB       ARG  62  -5.365   0.236   9.802
  507   1HG   ARG  62          2HG       ARG  62  -6.874  -0.734  11.363
  508   2HG   ARG  62          1HG       ARG  62  -7.768   0.434  10.392
  509   1HD   ARG  62          2HD       ARG  62  -8.787  -1.304   9.112
  510   2HD   ARG  62          1HD       ARG  62  -7.738  -2.526   9.837
  511    HE   ARG  62           HE       ARG  62  -9.082  -1.310  11.925
  512   1HH1  ARG  62          1HH1      ARG  62  -9.974  -3.129   9.052
  513   2HH1  ARG  62          2HH1      ARG  62 -11.364  -3.857   9.806
  514   1HH2  ARG  62          1HH2      ARG  62 -10.892  -2.295  12.904
  515   2HH2  ARG  62          2HH2      ARG  62 -11.871  -3.403  11.993
  516    H    LEU  63           H        LEU  63  -5.638   2.394   8.301
  517    HA   LEU  63           HA       LEU  63  -8.261   3.551   8.715
  518   1HB   LEU  63          2HB       LEU  63  -7.157   5.509   9.465
  519   2HB   LEU  63          1HB       LEU  63  -6.278   4.149  10.137
  520    HG   LEU  63           HG       LEU  63  -4.738   4.525   8.017
  521   1HD1  LEU  63          1HD1      LEU  63  -6.082   6.304   7.036
  522   2HD1  LEU  63          2HD1      LEU  63  -4.493   6.906   7.506
  523   3HD1  LEU  63          3HD1      LEU  63  -5.905   7.266   8.502
  524   1HD2  LEU  63          1HD2      LEU  63  -3.341   6.011   9.433
  525   2HD2  LEU  63          2HD2      LEU  63  -3.945   4.589  10.281
  526   3HD2  LEU  63          3HD2      LEU  63  -4.699   6.161  10.549
  527    H    ILE  64           H        ILE  64  -6.224   2.900   6.200
  528    HA   ILE  64           HA       ILE  64  -7.173   5.082   4.554
  529    HB   ILE  64           HB       ILE  64  -5.391   2.742   3.818
  530   1HG1  ILE  64          2HG1      ILE  64  -4.664   5.590   4.556
  531   2HG1  ILE  64          1HG1      ILE  64  -4.398   4.169   5.562
  532   1HG2  ILE  64          1HG2      ILE  64  -5.868   5.347   2.359
  533   2HG2  ILE  64          2HG2      ILE  64  -6.504   3.774   1.881
  534   3HG2  ILE  64          3HG2      ILE  64  -4.764   4.062   1.863
  535   1HD1  ILE  64          1HD1      ILE  64  -3.121   4.723   2.892
  536   2HD1  ILE  64          2HD1      ILE  64  -2.861   3.283   3.878
  537   3HD1  ILE  64          3HD1      ILE  64  -2.351   4.862   4.474
  538    H    ILE  65           H        ILE  65  -8.271   2.119   5.536
  539    HA   ILE  65           HA       ILE  65  -9.506   1.115   3.203
  540    HB   ILE  65           HB       ILE  65 -10.141   0.737   6.123
  541   1HG1  ILE  65          2HG1      ILE  65  -8.074  -0.303   5.353
  542   2HG1  ILE  65          1HG1      ILE  65  -9.278  -1.539   5.703
  543   1HG2  ILE  65          1HG2      ILE  65 -11.728  -0.989   5.496
  544   2HG2  ILE  65          2HG2      ILE  65 -11.448  -0.649   3.787
  545   3HG2  ILE  65          3HG2      ILE  65 -12.207   0.569   4.813
  546   1HD1  ILE  65          1HD1      ILE  65  -9.744  -1.758   3.320
  547   2HD1  ILE  65          2HD1      ILE  65  -8.041  -2.049   3.676
  548   3HD1  ILE  65          3HD1      ILE  65  -8.545  -0.513   2.970
  549    H    LYS  66           H        LYS  66 -10.543   3.397   5.678
  550    HA   LYS  66           HA       LYS  66 -13.129   3.754   4.555
  551   1HB   LYS  66          2HB       LYS  66 -11.490   5.440   6.446
  552   2HB   LYS  66          1HB       LYS  66 -13.114   5.882   5.941
  553   1HG   LYS  66          2HG       LYS  66 -12.390   3.323   7.352
  554   2HG   LYS  66          1HG       LYS  66 -13.056   4.760   8.131
  555   1HD   LYS  66          2HD       LYS  66 -15.062   4.590   6.754
  556   2HD   LYS  66          1HD       LYS  66 -14.395   3.175   5.939
  557   1HE   LYS  66          2HE       LYS  66 -14.957   3.350   8.895
  558   2HE   LYS  66          1HE       LYS  66 -16.042   2.628   7.708
  559   1HZ   LYS  66          1HZ       LYS  66 -13.280   1.709   8.310
  560   2HZ   LYS  66          2HZ       LYS  66 -14.323   1.024   7.159
  561   3HZ   LYS  66          3HZ       LYS  66 -14.715   0.951   8.808
  562    H    LYS  67           H        LYS  67 -10.137   4.497   3.438
  563    HA   LYS  67           HA       LYS  67 -10.964   6.898   2.010
  564   1HB   LYS  67          2HB       LYS  67  -8.293   5.573   2.382
  565   2HB   LYS  67          1HB       LYS  67  -8.548   6.709   1.067
  566   1HG   LYS  67          2HG       LYS  67  -7.534   7.832   2.934
  567   2HG   LYS  67          1HG       LYS  67  -9.176   8.432   2.706
  568   1HD   LYS  67          2HD       LYS  67  -9.969   7.064   4.532
  569   2HD   LYS  67          1HD       LYS  67  -8.375   6.332   4.716
  570   1HE   LYS  67          2HE       LYS  67  -7.441   8.500   5.320
  571   2HE   LYS  67          1HE       LYS  67  -9.020   9.253   5.101
  572   1HZ   LYS  67          1HZ       LYS  67  -8.447   8.744   7.444
  573   2HZ   LYS  67          2HZ       LYS  67  -8.480   7.092   7.066
  574   3HZ   LYS  67          3HZ       LYS  67  -9.891   8.020   6.929
  575    H    VAL  68           H        VAL  68  -9.772   3.628   1.462
  576    HA   VAL  68           HA       VAL  68 -10.213   3.602  -1.323
  577    HB   VAL  68           HB       VAL  68 -10.315   1.222   0.550
  578   1HG1  VAL  68          1HG1      VAL  68  -9.691   1.437  -2.389
  579   2HG1  VAL  68          2HG1      VAL  68 -11.154   0.749  -1.684
  580   3HG1  VAL  68          3HG1      VAL  68  -9.595  -0.031  -1.415
  581   1HG2  VAL  68          1HG2      VAL  68  -8.305   2.493   0.935
  582   2HG2  VAL  68          2HG2      VAL  68  -7.983   2.552  -0.798
  583   3HG2  VAL  68          3HG2      VAL  68  -7.922   1.010   0.059
  584    H    GLU  69           H        GLU  69 -12.248   3.212   1.453
  585    HA   GLU  69           HA       GLU  69 -14.514   2.364  -0.174
  586   1HB   GLU  69          2HB       GLU  69 -14.214   2.849   2.786
  587   2HB   GLU  69          1HB       GLU  69 -15.753   2.451   2.031
  588   1HG   GLU  69          2HG       GLU  69 -13.284   0.738   1.887
  589   2HG   GLU  69          1HG       GLU  69 -14.597   0.510   3.038
  590    H    ARG  70           H        ARG  70 -13.013   5.183   0.304
  591    HA   ARG  70           HA       ARG  70 -15.284   6.947   0.644
  592   1HB   ARG  70          2HB       ARG  70 -12.911   7.422   1.411
  593   2HB   ARG  70          1HB       ARG  70 -12.477   7.606  -0.279
  594   1HG   ARG  70          2HG       ARG  70 -14.236   9.425  -0.384
  595   2HG   ARG  70          1HG       ARG  70 -14.279   9.338   1.379
  596   1HD   ARG  70          2HD       ARG  70 -12.753  11.071   0.820
  597   2HD   ARG  70          1HD       ARG  70 -11.788   9.696   1.354
  598    HE   ARG  70           HE       ARG  70 -11.206   9.274  -0.933
  599   1HH1  ARG  70          1HH1      ARG  70 -12.885  12.292  -0.350
  600   2HH1  ARG  70          2HH1      ARG  70 -12.270  13.069  -1.776
  601   1HH2  ARG  70          1HH2      ARG  70 -10.384  10.293  -2.816
  602   2HH2  ARG  70          2HH2      ARG  70 -10.824  11.938  -3.177
  603    H    LYS  71           H        LYS  71 -15.850   5.250  -1.373
  604    HA   LYS  71           HA       LYS  71 -14.813   5.803  -3.914
  605   1HB   LYS  71          2HB       LYS  71 -16.026   3.734  -3.182
  606   2HB   LYS  71          1HB       LYS  71 -17.524   4.643  -3.292
  607   1HG   LYS  71          2HG       LYS  71 -17.257   3.328  -5.270
  608   2HG   LYS  71          1HG       LYS  71 -17.067   5.032  -5.689
  609   1HD   LYS  71          2HD       LYS  71 -14.693   4.811  -5.814
  610   2HD   LYS  71          1HD       LYS  71 -14.751   3.184  -5.136
  611   1HE   LYS  71          2HE       LYS  71 -14.399   3.080  -7.532
  612   2HE   LYS  71          1HE       LYS  71 -15.978   2.415  -7.120
  613   1HZ   LYS  71          1HZ       LYS  71 -16.952   4.588  -7.739
  614   2HZ   LYS  71          2HZ       LYS  71 -16.193   3.803  -9.033
  615   3HZ   LYS  71          3HZ       LYS  71 -15.420   5.099  -8.264
  616    H    ASN  72           H        ASN  72 -14.848   7.872  -4.554
  617    HA   ASN  72           HA       ASN  72 -17.492   9.070  -5.057
  618   1HB   ASN  72          2HB       ASN  72 -16.516  11.274  -4.754
  619   2HB   ASN  72          1HB       ASN  72 -16.199  10.306  -3.318
  620   1HD2  ASN  72          1HD2      ASN  72 -14.091   9.515  -2.962
  621   2HD2  ASN  72          2HD2      ASN  72 -12.721  10.255  -3.725
  622    H    PHE  73           H        PHE  73 -14.776   7.723  -6.347
  623    HA   PHE  73           HA       PHE  73 -15.255   8.981  -8.946
  624   1HB   PHE  73          2HB       PHE  73 -13.157   9.887  -7.998
  625   2HB   PHE  73          1HB       PHE  73 -12.541   8.250  -7.810
  626    HD1  PHE  73           1HD      PHE  73 -13.599  10.768 -10.301
  627    HD2  PHE  73           2HD      PHE  73 -11.513   7.123  -9.603
  628    HE1  PHE  73           1HE      PHE  73 -12.681  10.858 -12.581
  629    HE2  PHE  73           2HE      PHE  73 -10.588   7.211 -11.881
  630    HZ   PHE  73           HZ       PHE  73 -11.173   9.080 -13.373
  Start of MODEL    9
    1   1H    PHE   1          1HT       PHE   1  14.280 -20.084 -13.760
    2   2H    PHE   1          2HT       PHE   1  14.926 -21.275 -12.744
    3   3H    PHE   1          3HT       PHE   1  15.920 -20.040 -13.343
    4    HA   PHE   1           HA       PHE   1  15.419 -19.602 -11.079
    5   1HB   PHE   1          2HB       PHE   1  15.643 -17.676 -12.545
    6   2HB   PHE   1          1HB       PHE   1  13.942 -17.771 -12.984
    7    HD1  PHE   1           1HD      PHE   1  16.288 -17.021 -10.238
    8    HD2  PHE   1           2HD      PHE   1  12.273 -16.799 -11.627
    9    HE1  PHE   1           1HE      PHE   1  15.734 -15.502  -8.383
   10    HE2  PHE   1           2HE      PHE   1  11.713 -15.283  -9.776
   11    HZ   PHE   1           HZ       PHE   1  13.444 -14.631  -8.150
   12    HA   PRO   2           HA       PRO   2  10.618 -19.366 -10.571
   13   1HB   PRO   2          2HB       PRO   2   9.539 -20.775 -12.921
   14   2HB   PRO   2          1HB       PRO   2   9.036 -19.244 -12.200
   15   1HG   PRO   2          2HG       PRO   2  10.321 -19.334 -14.546
   16   2HG   PRO   2          1HG       PRO   2  10.598 -18.023 -13.385
   17   1HD   PRO   2          2HD       PRO   2  12.269 -20.443 -13.948
   18   2HD   PRO   2          1HD       PRO   2  12.778 -18.764 -13.672
   19    H    MET   3           H        MET   3  10.432 -20.780  -8.984
   20    HA   MET   3           HA       MET   3  10.543 -23.647  -9.538
   21   1HB   MET   3          2HB       MET   3  10.376 -22.135  -6.919
   22   2HB   MET   3          1HB       MET   3  10.458 -23.884  -7.060
   23   1HG   MET   3          2HG       MET   3  12.658 -23.703  -8.103
   24   2HG   MET   3          1HG       MET   3  12.575 -21.948  -7.972
   25   1HE   MET   3          1HE       MET   3  12.832 -24.814  -4.356
   26   2HE   MET   3          2HE       MET   3  12.905 -25.346  -6.038
   27   3HE   MET   3          3HE       MET   3  11.405 -24.693  -5.383
   28    H    PHE   4           H        PHE   4   8.843 -24.856  -7.973
   29    HA   PHE   4           HA       PHE   4   6.228 -23.683  -8.672
   30   1HB   PHE   4          2HB       PHE   4   7.075 -26.577  -8.501
   31   2HB   PHE   4          1HB       PHE   4   5.398 -26.061  -8.663
   32    HD1  PHE   4           1HD      PHE   4   4.613 -25.010 -10.718
   33    HD2  PHE   4           2HD      PHE   4   8.601 -26.451 -10.345
   34    HE1  PHE   4           1HE      PHE   4   4.880 -24.891 -13.160
   35    HE2  PHE   4           2HE      PHE   4   8.875 -26.331 -12.787
   36    HZ   PHE   4           HZ       PHE   4   7.013 -25.550 -14.196
   37    H    LYS   5           H        LYS   5   8.079 -23.803  -6.138
   38    HA   LYS   5           HA       LYS   5   5.832 -24.046  -4.290
   39   1HB   LYS   5          2HB       LYS   5   8.504 -25.415  -3.973
   40   2HB   LYS   5          1HB       LYS   5   7.432 -25.112  -2.613
   41   1HG   LYS   5          2HG       LYS   5   5.684 -26.439  -3.756
   42   2HG   LYS   5          1HG       LYS   5   6.845 -26.810  -5.030
   43   1HD   LYS   5          2HD       LYS   5   7.256 -27.462  -2.114
   44   2HD   LYS   5          1HD       LYS   5   6.599 -28.594  -3.298
   45   1HE   LYS   5          2HE       LYS   5   8.684 -28.350  -4.617
   46   2HE   LYS   5          1HE       LYS   5   9.334 -27.318  -3.343
   47   1HZ   LYS   5          1HZ       LYS   5  10.065 -29.653  -3.179
   48   2HZ   LYS   5          2HZ       LYS   5   8.454 -30.128  -2.943
   49   3HZ   LYS   5          3HZ       LYS   5   9.220 -29.135  -1.802
   50    H    ARG   6           H        ARG   6   6.397 -23.081  -2.140
   51    HA   ARG   6           HA       ARG   6   7.185 -21.448  -0.800
   52   1HB   ARG   6          2HB       ARG   6   9.410 -21.207  -2.830
   53   2HB   ARG   6          1HB       ARG   6   9.348 -20.323  -1.312
   54   1HG   ARG   6          2HG       ARG   6   9.392 -22.432  -0.078
   55   2HG   ARG   6          1HG       ARG   6   9.460 -23.317  -1.604
   56   1HD   ARG   6          2HD       ARG   6  11.571 -22.180  -2.142
   57   2HD   ARG   6          1HD       ARG   6  11.506 -21.351  -0.587
   58    HE   ARG   6           HE       ARG   6  11.360 -23.940   0.128
   59   1HH1  ARG   6          1HH1      ARG   6  13.531 -22.198  -1.993
   60   2HH1  ARG   6          2HH1      ARG   6  14.892 -23.229  -1.659
   61   1HH2  ARG   6          1HH2      ARG   6  13.136 -25.342   0.533
   62   2HH2  ARG   6          2HH2      ARG   6  14.656 -25.045  -0.269
   63    H    GLY   7           H        GLY   7   7.832 -19.004  -0.916
   64   1HA   GLY   7          2HA       GLY   7   7.323 -17.283  -2.952
   65   2HA   GLY   7          1HA       GLY   7   5.713 -17.727  -2.397
   66    H    ARG   8           H        ARG   8   8.596 -15.969  -1.705
   67    HA   ARG   8           HA       ARG   8   7.933 -15.406   1.032
   68   1HB   ARG   8          2HB       ARG   8   9.945 -14.020  -0.751
   69   2HB   ARG   8          1HB       ARG   8   9.853 -13.911   1.000
   70   1HG   ARG   8          2HG       ARG   8  10.323 -16.336   1.132
   71   2HG   ARG   8          1HG       ARG   8  10.543 -16.351  -0.618
   72   1HD   ARG   8          2HD       ARG   8  12.706 -16.175   0.367
   73   2HD   ARG   8          1HD       ARG   8  12.312 -14.599  -0.318
   74    HE   ARG   8           HE       ARG   8  12.122 -15.246   2.555
   75   1HH1  ARG   8          1HH1      ARG   8  12.794 -12.993  -0.051
   76   2HH1  ARG   8          2HH1      ARG   8  13.236 -11.702   1.022
   77   1HH2  ARG   8          1HH2      ARG   8  12.700 -13.540   3.961
   78   2HH2  ARG   8          2HH2      ARG   8  13.170 -12.000   3.295
   79    H    CYS   9           H        CYS   9   5.969 -14.433   1.137
   80    HA   CYS   9           HA       CYS   9   5.117 -12.290  -0.491
   81   1HB   CYS   9          2HB       CYS   9   4.185 -12.959   2.318
   82   2HB   CYS   9          1HB       CYS   9   3.297 -12.057   1.086
   83    H    LEU  10           H        LEU  10   6.154 -10.416  -0.589
   84    HA   LEU  10           HA       LEU  10   6.397  -8.740   1.684
   85   1HB   LEU  10          2HB       LEU  10   8.403 -10.344   1.879
   86   2HB   LEU  10          1HB       LEU  10   9.040  -9.509   0.473
   87    HG   LEU  10           HG       LEU  10   9.070  -7.400   1.704
   88   1HD1  LEU  10          1HD1      LEU  10   8.602  -7.338   4.095
   89   2HD1  LEU  10          2HD1      LEU  10   8.109  -9.031   4.052
   90   3HD1  LEU  10          3HD1      LEU  10   7.169  -7.817   3.185
   91   1HD2  LEU  10          1HD2      LEU  10  11.044  -8.825   1.758
   92   2HD2  LEU  10          2HD2      LEU  10  10.415  -9.665   3.173
   93   3HD2  LEU  10          3HD2      LEU  10  10.857  -7.962   3.285
   94    H    CYS  11           H        CYS  11   7.290  -6.691   1.174
   95    HA   CYS  11           HA       CYS  11   7.950  -6.047  -1.551
   96   1HB   CYS  11          2HB       CYS  11   5.526  -5.012  -0.097
   97   2HB   CYS  11          1HB       CYS  11   6.385  -3.953  -1.206
   98    H    ILE  12           H        ILE  12   7.981  -3.198  -0.976
   99    HA   ILE  12           HA       ILE  12   9.704  -3.164   1.388
  100    HB   ILE  12           HB       ILE  12  11.137  -3.680  -0.438
  101   1HG1  ILE  12          2HG1      ILE  12  12.712  -1.732  -0.406
  102   2HG1  ILE  12          1HG1      ILE  12  11.473  -0.803   0.431
  103   1HG2  ILE  12          1HG2      ILE  12  11.430  -2.120  -2.349
  104   2HG2  ILE  12          2HG2      ILE  12   9.986  -1.268  -1.802
  105   3HG2  ILE  12          3HG2      ILE  12   9.880  -2.961  -2.295
  106   1HD1  ILE  12          1HD1      ILE  12  13.131  -1.690   1.975
  107   2HD1  ILE  12          2HD1      ILE  12  12.758  -3.328   1.443
  108   3HD1  ILE  12          3HD1      ILE  12  11.537  -2.378   2.286
  109    H    GLY  13           H        GLY  13   7.081  -2.053   0.220
  110   1HA   GLY  13          2HA       GLY  13   5.754  -0.258   0.654
  111   2HA   GLY  13          1HA       GLY  13   6.889   0.149   1.897
  112    HA   PRO  14           HA       PRO  14   7.939   2.759  -1.942
  113   1HB   PRO  14          2HB       PRO  14   6.516   2.349  -4.166
  114   2HB   PRO  14          1HB       PRO  14   7.806   1.227  -3.707
  115   1HG   PRO  14          2HG       PRO  14   4.855   0.934  -3.445
  116   2HG   PRO  14          1HG       PRO  14   6.068  -0.294  -3.833
  117   1HD   PRO  14          2HD       PRO  14   4.931   0.180  -1.294
  118   2HD   PRO  14          1HD       PRO  14   6.371  -0.792  -1.627
  119    H    GLY  15           H        GLY  15   5.697   2.870   0.017
  120   1HA   GLY  15          2HA       GLY  15   3.463   4.195  -1.129
  121   2HA   GLY  15          1HA       GLY  15   3.860   4.127   0.583
  122    H    VAL  16           H        VAL  16   2.953   6.334  -1.277
  123    HA   VAL  16           HA       VAL  16   5.244   8.136  -1.206
  124    HB   VAL  16           HB       VAL  16   2.464   8.693  -2.255
  125   1HG1  VAL  16          1HG1      VAL  16   3.752  10.700  -1.728
  126   2HG1  VAL  16          2HG1      VAL  16   3.557  10.514  -3.471
  127   3HG1  VAL  16          3HG1      VAL  16   5.092  10.103  -2.706
  128   1HG2  VAL  16          1HG2      VAL  16   4.932   7.778  -3.729
  129   2HG2  VAL  16          2HG2      VAL  16   3.402   8.242  -4.473
  130   3HG2  VAL  16          3HG2      VAL  16   3.484   6.816  -3.438
  131    H    LYS  17           H        LYS  17   1.858   8.996  -0.570
  132    HA   LYS  17           HA       LYS  17   2.172   9.409   2.208
  133   1HB   LYS  17          2HB       LYS  17   3.610  11.276   1.206
  134   2HB   LYS  17          1HB       LYS  17   2.104  11.983   0.639
  135   1HG   LYS  17          2HG       LYS  17   2.740  13.034   2.693
  136   2HG   LYS  17          1HG       LYS  17   1.302  12.048   2.978
  137   1HD   LYS  17          2HD       LYS  17   2.744  10.248   3.850
  138   2HD   LYS  17          1HD       LYS  17   4.149  11.289   3.623
  139   1HE   LYS  17          2HE       LYS  17   3.502  11.403   5.923
  140   2HE   LYS  17          1HE       LYS  17   3.094  12.939   5.161
  141   1HZ   LYS  17          1HZ       LYS  17   1.211  10.720   5.761
  142   2HZ   LYS  17          2HZ       LYS  17   0.791  12.150   4.958
  143   3HZ   LYS  17          3HZ       LYS  17   1.301  12.205   6.574
  144    H    ALA  18           H        ALA  18   0.577  11.257  -0.391
  145    HA   ALA  18           HA       ALA  18  -1.989  10.102   0.160
  146   1HB   ALA  18          1HB       ALA  18  -1.841  11.702   2.014
  147   2HB   ALA  18          2HB       ALA  18  -3.098  12.163   0.866
  148   3HB   ALA  18          3HB       ALA  18  -1.549  13.007   0.864
  149    H    VAL  19           H        VAL  19  -3.205  10.189  -1.636
  150    HA   VAL  19           HA       VAL  19  -2.527  12.169  -3.711
  151    HB   VAL  19           HB       VAL  19  -2.817  10.339  -5.419
  152   1HG1  VAL  19          1HG1      VAL  19  -0.522  10.017  -3.484
  153   2HG1  VAL  19          2HG1      VAL  19  -0.598  11.163  -4.823
  154   3HG1  VAL  19          3HG1      VAL  19  -0.557   9.430  -5.145
  155   1HG2  VAL  19          1HG2      VAL  19  -2.479   8.025  -4.644
  156   2HG2  VAL  19          2HG2      VAL  19  -3.985   8.725  -4.050
  157   3HG2  VAL  19          3HG2      VAL  19  -2.593   8.587  -2.976
  158    H    LYS  20           H        LYS  20  -4.346  11.031  -5.637
  159    HA   LYS  20           HA       LYS  20  -6.816  12.140  -4.749
  160   1HB   LYS  20          2HB       LYS  20  -6.108  12.077  -7.133
  161   2HB   LYS  20          1HB       LYS  20  -6.284  10.326  -7.111
  162   1HG   LYS  20          2HG       LYS  20  -8.263  10.994  -8.068
  163   2HG   LYS  20          1HG       LYS  20  -8.715  10.827  -6.371
  164   1HD   LYS  20          2HD       LYS  20  -9.652  12.872  -7.182
  165   2HD   LYS  20          1HD       LYS  20  -8.310  13.285  -6.112
  166   1HE   LYS  20          2HE       LYS  20  -8.349  14.633  -8.189
  167   2HE   LYS  20          1HE       LYS  20  -6.867  13.697  -7.994
  168   1HZ   LYS  20          1HZ       LYS  20  -7.611  12.120  -9.591
  169   2HZ   LYS  20          2HZ       LYS  20  -7.831  13.651 -10.275
  170   3HZ   LYS  20          3HZ       LYS  20  -9.164  12.798  -9.654
  171    H    VAL  21           H        VAL  21  -7.608  11.090  -2.980
  172    HA   VAL  21           HA       VAL  21  -7.451   8.290  -2.642
  173    HB   VAL  21           HB       VAL  21  -9.027   8.756  -0.666
  174   1HG1  VAL  21          1HG1      VAL  21  -7.170   9.665   0.647
  175   2HG1  VAL  21          2HG1      VAL  21  -6.339  10.116  -0.842
  176   3HG1  VAL  21          3HG1      VAL  21  -6.619   8.415  -0.469
  177   1HG2  VAL  21          1HG2      VAL  21  -9.101  11.082   0.082
  178   2HG2  VAL  21          2HG2      VAL  21  -9.917  10.898  -1.471
  179   3HG2  VAL  21          3HG2      VAL  21  -8.298  11.596  -1.403
  180    H    ALA  22           H        ALA  22  -8.465   7.898  -4.762
  181    HA   ALA  22           HA       ALA  22 -10.661   6.301  -4.357
  182   1HB   ALA  22          1HB       ALA  22 -12.494   7.407  -5.539
  183   2HB   ALA  22          2HB       ALA  22 -11.501   8.850  -5.751
  184   3HB   ALA  22          3HB       ALA  22 -12.008   8.358  -4.135
  185    H    ASP  23           H        ASP  23  -8.752   8.215  -6.501
  186    HA   ASP  23           HA       ASP  23  -9.324   6.598  -8.841
  187   1HB   ASP  23          2HB       ASP  23  -8.342   9.191  -8.423
  188   2HB   ASP  23          1HB       ASP  23  -6.940   8.278  -8.967
  189    H    ILE  24           H        ILE  24  -6.508   7.471  -6.976
  190    HA   ILE  24           HA       ILE  24  -5.421   4.757  -7.166
  191    HB   ILE  24           HB       ILE  24  -3.194   6.307  -6.868
  192   1HG1  ILE  24          2HG1      ILE  24  -3.333   8.008  -8.748
  193   2HG1  ILE  24          1HG1      ILE  24  -5.079   7.812  -8.699
  194   1HG2  ILE  24          1HG2      ILE  24  -3.453   4.410  -8.379
  195   2HG2  ILE  24          2HG2      ILE  24  -2.704   5.775  -9.209
  196   3HG2  ILE  24          3HG2      ILE  24  -4.407   5.403  -9.484
  197   1HD1  ILE  24          1HD1      ILE  24  -3.325   8.829  -6.482
  198   2HD1  ILE  24          2HD1      ILE  24  -5.065   8.573  -6.364
  199   3HD1  ILE  24          3HD1      ILE  24  -4.424   9.776  -7.484
  200    H    GLU  25           H        GLU  25  -3.646   4.653  -5.382
  201    HA   GLU  25           HA       GLU  25  -3.538   4.199  -3.178
  202   1HB   GLU  25          2HB       GLU  25  -3.484   6.725  -3.095
  203   2HB   GLU  25          1HB       GLU  25  -5.218   6.669  -2.753
  204   1HG   GLU  25          2HG       GLU  25  -4.897   5.676  -0.660
  205   2HG   GLU  25          1HG       GLU  25  -3.259   5.156  -1.061
  206    H    LYS  26           H        LYS  26  -4.813   2.519  -3.998
  207    HA   LYS  26           HA       LYS  26  -7.461   2.370  -2.758
  208   1HB   LYS  26          2HB       LYS  26  -6.637   1.452  -5.512
  209   2HB   LYS  26          1HB       LYS  26  -8.072   0.843  -4.701
  210   1HG   LYS  26          2HG       LYS  26  -8.975   3.124  -4.623
  211   2HG   LYS  26          1HG       LYS  26  -7.538   3.701  -5.476
  212   1HD   LYS  26          2HD       LYS  26  -9.411   3.346  -7.022
  213   2HD   LYS  26          1HD       LYS  26  -8.069   2.251  -7.371
  214   1HE   LYS  26          2HE       LYS  26  -9.316   0.591  -5.847
  215   2HE   LYS  26          1HE       LYS  26 -10.705   1.650  -6.077
  216   1HZ   LYS  26          1HZ       LYS  26 -10.745  -0.135  -7.668
  217   2HZ   LYS  26          2HZ       LYS  26  -9.188   0.253  -8.215
  218   3HZ   LYS  26          3HZ       LYS  26 -10.471   1.327  -8.486
  219    H    ALA  27           H        ALA  27  -6.323   1.379  -1.043
  220    HA   ALA  27           HA       ALA  27  -4.940  -1.107  -1.520
  221   1HB   ALA  27          1HB       ALA  27  -4.119   0.415   0.177
  222   2HB   ALA  27          2HB       ALA  27  -4.640  -1.095   0.925
  223   3HB   ALA  27          3HB       ALA  27  -5.662   0.340   1.026
  224    H    SER  28           H        SER  28  -6.773  -2.187  -2.481
  225    HA   SER  28           HA       SER  28  -8.904  -2.871  -0.579
  226   1HB   SER  28          2HB       SER  28  -8.735  -3.226  -3.570
  227   2HB   SER  28          1HB       SER  28 -10.138  -3.610  -2.572
  228    HG   SER  28           HG       SER  28 -10.563  -1.512  -2.311
  229    H    ILE  29           H        ILE  29  -6.995  -4.219   0.310
  230    HA   ILE  29           HA       ILE  29  -8.006  -6.842  -0.117
  231    HB   ILE  29           HB       ILE  29  -6.222  -6.845  -1.811
  232   1HG1  ILE  29          2HG1      ILE  29  -5.586  -8.567   0.600
  233   2HG1  ILE  29          1HG1      ILE  29  -6.788  -8.930  -0.634
  234   1HG2  ILE  29          1HG2      ILE  29  -4.740  -5.211  -0.829
  235   2HG2  ILE  29          2HG2      ILE  29  -3.876  -6.720  -1.127
  236   3HG2  ILE  29          3HG2      ILE  29  -4.384  -6.302   0.510
  237   1HD1  ILE  29          1HD1      ILE  29  -4.731 -10.199  -0.948
  238   2HD1  ILE  29          2HD1      ILE  29  -3.825  -8.693  -1.110
  239   3HD1  ILE  29          3HD1      ILE  29  -5.050  -9.122  -2.306
  240    H    MET  30           H        MET  30  -7.867  -8.019   1.796
  241    HA   MET  30           HA       MET  30  -5.711  -7.364   3.595
  242   1HB   MET  30          2HB       MET  30  -7.463  -5.877   4.402
  243   2HB   MET  30          1HB       MET  30  -8.581  -7.233   4.539
  244   1HG   MET  30          2HG       MET  30  -7.162  -8.237   6.249
  245   2HG   MET  30          1HG       MET  30  -6.022  -6.901   6.093
  246   1HE   MET  30          1HE       MET  30  -9.688  -7.912   7.093
  247   2HE   MET  30          2HE       MET  30  -9.939  -6.600   5.940
  248   3HE   MET  30          3HE       MET  30 -10.339  -6.365   7.639
  249    H    TYR  31           H        TYR  31  -5.073  -9.334   2.741
  250    HA   TYR  31           HA       TYR  31  -6.004 -11.581   4.351
  251   1HB   TYR  31          2HB       TYR  31  -5.554 -11.844   1.358
  252   2HB   TYR  31          1HB       TYR  31  -5.996 -13.129   2.465
  253    HD1  TYR  31           1HD      TYR  31  -7.213 -10.268   0.543
  254    HD2  TYR  31           2HD      TYR  31  -8.283 -13.330   3.300
  255    HE1  TYR  31           1HE      TYR  31  -9.589  -9.881   0.039
  256    HE2  TYR  31           2HE      TYR  31 -10.659 -12.946   2.807
  257    HH   TYR  31           HH       TYR  31 -11.694 -10.956   0.170
  258    HA   PRO  32           HA       PRO  32  -1.619 -12.419   4.705
  259   1HB   PRO  32          2HB       PRO  32  -1.678 -15.157   4.586
  260   2HB   PRO  32          1HB       PRO  32  -2.099 -14.217   6.025
  261   1HG   PRO  32          2HG       PRO  32  -3.905 -15.342   3.909
  262   2HG   PRO  32          1HG       PRO  32  -4.054 -15.457   5.674
  263   1HD   PRO  32          2HD       PRO  32  -5.483 -13.647   4.379
  264   2HD   PRO  32          1HD       PRO  32  -4.646 -13.185   5.879
  265    H    SER  33           H        SER  33  -2.198 -11.618   2.146
  266    HA   SER  33           HA       SER  33  -1.311 -11.585   0.061
  267   1HB   SER  33          2HB       SER  33   0.486 -13.874   0.856
  268   2HB   SER  33          1HB       SER  33   0.788 -12.614  -0.340
  269    HG   SER  33           HG       SER  33   0.881 -11.108   1.377
  270    H    ASN  34           H        ASN  34  -2.811 -14.267   1.346
  271    HA   ASN  34           HA       ASN  34  -3.954 -16.030   0.553
  272   1HB   ASN  34          2HB       ASN  34  -4.897 -14.481  -1.099
  273   2HB   ASN  34          1HB       ASN  34  -3.508 -14.725  -2.147
  274   1HD2  ASN  34          1HD2      ASN  34  -6.367 -16.244  -0.787
  275   2HD2  ASN  34          2HD2      ASN  34  -6.507 -17.478  -1.995
  276    H    ASN  35           H        ASN  35  -0.887 -15.715   0.567
  277    HA   ASN  35           HA       ASN  35  -0.374 -18.365  -0.574
  278   1HB   ASN  35          2HB       ASN  35   0.300 -16.691  -2.300
  279   2HB   ASN  35          1HB       ASN  35   1.360 -15.932  -1.126
  280   1HD2  ASN  35          1HD2      ASN  35   3.324 -16.840  -0.675
  281   2HD2  ASN  35          2HD2      ASN  35   3.978 -18.172  -1.560
  282    H    CYS  36           H        CYS  36  -0.640 -16.713   2.030
  283    HA   CYS  36           HA       CYS  36   1.801 -17.589   3.335
  284   1HB   CYS  36          2HB       CYS  36   1.229 -14.769   2.582
  285   2HB   CYS  36          1HB       CYS  36   2.046 -15.083   4.123
  286    H    ASP  37           H        ASP  37   1.807 -16.285   5.591
  287    HA   ASP  37           HA       ASP  37  -0.891 -16.611   6.746
  288   1HB   ASP  37          2HB       ASP  37   0.158 -17.265   8.820
  289   2HB   ASP  37          1HB       ASP  37   0.846 -18.253   7.534
  290    H    LYS  38           H        LYS  38   1.079 -14.411   5.640
  291    HA   LYS  38           HA       LYS  38   0.687 -12.475   7.813
  292   1HB   LYS  38          2HB       LYS  38   2.694 -11.350   7.053
  293   2HB   LYS  38          1HB       LYS  38   3.067 -13.046   7.323
  294   1HG   LYS  38          2HG       LYS  38   2.749 -13.433   4.886
  295   2HG   LYS  38          1HG       LYS  38   2.586 -11.686   4.703
  296   1HD   LYS  38          2HD       LYS  38   4.857 -12.456   4.179
  297   2HD   LYS  38          1HD       LYS  38   4.847 -11.382   5.578
  298   1HE   LYS  38          2HE       LYS  38   5.169 -13.163   7.082
  299   2HE   LYS  38          1HE       LYS  38   4.746 -14.371   5.869
  300   1HZ   LYS  38          1HZ       LYS  38   6.770 -14.059   4.764
  301   2HZ   LYS  38          2HZ       LYS  38   7.178 -14.128   6.408
  302   3HZ   LYS  38          3HZ       LYS  38   7.127 -12.630   5.605
  303    H    ILE  39           H        ILE  39  -0.139 -10.480   7.184
  304    HA   ILE  39           HA       ILE  39  -1.863 -10.854   4.854
  305    HB   ILE  39           HB       ILE  39  -3.317  -9.162   5.771
  306   1HG1  ILE  39          2HG1      ILE  39  -1.309  -8.856   8.018
  307   2HG1  ILE  39          1HG1      ILE  39  -1.555  -7.688   6.724
  308   1HG2  ILE  39          1HG2      ILE  39  -3.945 -10.271   7.875
  309   2HG2  ILE  39          2HG2      ILE  39  -2.409 -11.135   7.858
  310   3HG2  ILE  39          3HG2      ILE  39  -3.594 -11.420   6.584
  311   1HD1  ILE  39          1HD1      ILE  39  -2.685  -6.979   8.736
  312   2HD1  ILE  39          2HD1      ILE  39  -3.577  -8.498   8.798
  313   3HD1  ILE  39          3HD1      ILE  39  -3.866  -7.362   7.480
  314    H    GLU  40           H        GLU  40  -2.155  -9.273   3.255
  315    HA   GLU  40           HA       GLU  40  -0.043  -7.232   3.093
  316   1HB   GLU  40          2HB       GLU  40  -0.973  -9.209   1.039
  317   2HB   GLU  40          1HB       GLU  40  -0.290  -7.672   0.536
  318   1HG   GLU  40          2HG       GLU  40   1.104  -9.655   2.313
  319   2HG   GLU  40          1HG       GLU  40   1.322  -9.545   0.568
  320    H    VAL  41           H        VAL  41  -0.508  -5.442   1.719
  321    HA   VAL  41           HA       VAL  41  -3.333  -4.988   1.073
  322    HB   VAL  41           HB       VAL  41  -1.659  -3.393   2.916
  323   1HG1  VAL  41          1HG1      VAL  41  -3.446  -2.021   0.904
  324   2HG1  VAL  41          2HG1      VAL  41  -1.692  -1.853   1.011
  325   3HG1  VAL  41          3HG1      VAL  41  -2.720  -1.257   2.318
  326   1HG2  VAL  41          1HG2      VAL  41  -3.709  -4.575   3.600
  327   2HG2  VAL  41          2HG2      VAL  41  -4.642  -3.580   2.479
  328   3HG2  VAL  41          3HG2      VAL  41  -3.835  -2.834   3.858
  329    H    ILE  42           H        ILE  42  -3.647  -4.205  -0.937
  330    HA   ILE  42           HA       ILE  42  -1.219  -3.564  -2.464
  331    HB   ILE  42           HB       ILE  42  -3.869  -4.597  -3.503
  332   1HG1  ILE  42          2HG1      ILE  42  -1.202  -6.010  -3.205
  333   2HG1  ILE  42          1HG1      ILE  42  -2.624  -6.296  -2.206
  334   1HG2  ILE  42          1HG2      ILE  42  -1.237  -4.140  -4.913
  335   2HG2  ILE  42          2HG2      ILE  42  -2.705  -3.185  -5.114
  336   3HG2  ILE  42          3HG2      ILE  42  -2.676  -4.872  -5.626
  337   1HD1  ILE  42          1HD1      ILE  42  -2.408  -6.817  -5.165
  338   2HD1  ILE  42          2HD1      ILE  42  -3.834  -7.105  -4.167
  339   3HD1  ILE  42          3HD1      ILE  42  -2.359  -8.028  -3.885
  340    H    ILE  43           H        ILE  43  -1.130  -1.394  -2.185
  341    HA   ILE  43           HA       ILE  43  -3.463   0.201  -2.980
  342    HB   ILE  43           HB       ILE  43  -0.877   1.470  -2.225
  343   1HG1  ILE  43          2HG1      ILE  43  -2.842   0.506  -0.139
  344   2HG1  ILE  43          1HG1      ILE  43  -1.290  -0.263  -0.466
  345   1HG2  ILE  43          1HG2      ILE  43  -2.838   2.748  -3.056
  346   2HG2  ILE  43          2HG2      ILE  43  -2.309   3.226  -1.435
  347   3HG2  ILE  43          3HG2      ILE  43  -3.737   2.209  -1.628
  348   1HD1  ILE  43          1HD1      ILE  43  -0.193   1.916   0.069
  349   2HD1  ILE  43          2HD1      ILE  43  -1.019   1.146   1.427
  350   3HD1  ILE  43          3HD1      ILE  43  -1.769   2.509   0.595
  351    H    THR  44           H        THR  44  -3.141   1.859  -4.542
  352    HA   THR  44           HA       THR  44  -0.490   1.943  -5.719
  353    HB   THR  44           HB       THR  44  -1.621   0.733  -7.381
  354    HG1  THR  44           1HG      THR  44  -1.504   3.504  -7.849
  355   1HG2  THR  44          1HG2      THR  44  -3.934   2.654  -7.088
  356   2HG2  THR  44          2HG2      THR  44  -3.907   0.964  -6.586
  357   3HG2  THR  44          3HG2      THR  44  -3.822   1.377  -8.298
  358    H    LEU  45           H        LEU  45  -0.302   3.787  -4.259
  359    HA   LEU  45           HA       LEU  45  -2.243   5.920  -4.660
  360   1HB   LEU  45          2HB       LEU  45  -1.479   6.910  -2.615
  361   2HB   LEU  45          1HB       LEU  45  -1.820   5.215  -2.342
  362    HG   LEU  45           HG       LEU  45   0.944   5.537  -2.992
  363   1HD1  LEU  45          1HD1      LEU  45   1.627   6.888  -1.076
  364   2HD1  LEU  45          2HD1      LEU  45  -0.064   7.191  -0.672
  365   3HD1  LEU  45          3HD1      LEU  45   0.615   7.831  -2.170
  366   1HD2  LEU  45          1HD2      LEU  45  -0.489   4.743  -0.452
  367   2HD2  LEU  45          2HD2      LEU  45   1.218   4.466  -0.797
  368   3HD2  LEU  45          3HD2      LEU  45  -0.019   3.656  -1.759
  369    H    LYS  46           H        LYS  46  -1.421   6.360  -6.651
  370    HA   LYS  46           HA       LYS  46   0.455   8.461  -6.670
  371   1HB   LYS  46          2HB       LYS  46   1.491   5.845  -7.314
  372   2HB   LYS  46          1HB       LYS  46   1.682   6.962  -8.660
  373   1HG   LYS  46          2HG       LYS  46   2.679   7.342  -5.846
  374   2HG   LYS  46          1HG       LYS  46   3.649   7.025  -7.283
  375   1HD   LYS  46          2HD       LYS  46   1.919   9.469  -6.904
  376   2HD   LYS  46          1HD       LYS  46   3.645   9.415  -6.555
  377   1HE   LYS  46          2HE       LYS  46   4.157   8.979  -8.856
  378   2HE   LYS  46          1HE       LYS  46   2.448   8.793  -9.252
  379   1HZ   LYS  46          1HZ       LYS  46   2.083  11.107  -8.785
  380   2HZ   LYS  46          2HZ       LYS  46   3.347  10.970  -9.902
  381   3HZ   LYS  46          3HZ       LYS  46   3.688  11.313  -8.276
  382    H    GLU  47           H        GLU  47  -0.508   6.064  -9.028
  383    HA   GLU  47           HA       GLU  47  -1.917   7.584 -10.858
  384   1HB   GLU  47          2HB       GLU  47   0.268   8.948 -10.625
  385   2HB   GLU  47          1HB       GLU  47   1.064   7.600 -11.416
  386   1HG   GLU  47          2HG       GLU  47  -0.327   7.946 -13.394
  387   2HG   GLU  47          1HG       GLU  47  -1.111   9.312 -12.593
  388    H    ASN  48           H        ASN  48  -0.348   6.538 -13.184
  389    HA   ASN  48           HA       ASN  48  -0.868   3.701 -12.876
  390   1HB   ASN  48          2HB       ASN  48   0.397   5.170 -15.208
  391   2HB   ASN  48          1HB       ASN  48  -0.198   3.512 -15.221
  392   1HD2  ASN  48          1HD2      ASN  48  -2.439   3.137 -15.195
  393   2HD2  ASN  48          2HD2      ASN  48  -3.560   4.387 -15.622
  394    H    LYS  49           H        LYS  49   1.282   5.315 -11.464
  395    HA   LYS  49           HA       LYS  49   3.831   4.589 -12.338
  396   1HB   LYS  49          2HB       LYS  49   3.469   6.432 -10.823
  397   2HB   LYS  49          1HB       LYS  49   2.845   5.339  -9.597
  398   1HG   LYS  49          2HG       LYS  49   4.986   4.323  -9.337
  399   2HG   LYS  49          1HG       LYS  49   5.655   5.265 -10.668
  400   1HD   LYS  49          2HD       LYS  49   5.242   7.320  -9.384
  401   2HD   LYS  49          1HD       LYS  49   4.617   6.350  -8.050
  402   1HE   LYS  49          2HE       LYS  49   6.909   6.980  -7.606
  403   2HE   LYS  49          1HE       LYS  49   6.806   5.238  -7.862
  404   1HZ   LYS  49          1HZ       LYS  49   8.704   6.312  -8.996
  405   2HZ   LYS  49          2HZ       LYS  49   7.607   7.183  -9.958
  406   3HZ   LYS  49          3HZ       LYS  49   7.668   5.491 -10.062
  407    H    GLY  50           H        GLY  50   1.633   2.937 -10.073
  408   1HA   GLY  50          2HA       GLY  50   2.071   0.413 -10.555
  409   2HA   GLY  50          1HA       GLY  50   3.630   0.795  -9.844
  410    H    GLN  51           H        GLN  51   3.066  -0.871  -8.304
  411    HA   GLN  51           HA       GLN  51   0.721  -0.457  -6.648
  412   1HB   GLN  51          2HB       GLN  51   2.796  -2.645  -6.648
  413   2HB   GLN  51          1HB       GLN  51   1.354  -2.624  -5.645
  414   1HG   GLN  51          2HG       GLN  51  -0.057  -2.841  -7.555
  415   2HG   GLN  51          1HG       GLN  51   1.299  -2.586  -8.652
  416   1HE2  GLN  51          1HE2      GLN  51  -0.294  -4.825  -6.543
  417   2HE2  GLN  51          2HE2      GLN  51   0.578  -6.240  -7.036
  418    H    ARG  52           H        ARG  52   0.678  -0.323  -4.495
  419    HA   ARG  52           HA       ARG  52   3.193   0.303  -3.124
  420   1HB   ARG  52          2HB       ARG  52   0.495   1.365  -2.275
  421   2HB   ARG  52          1HB       ARG  52   2.088   1.895  -1.758
  422   1HG   ARG  52          2HG       ARG  52   0.940   2.299  -4.496
  423   2HG   ARG  52          1HG       ARG  52   0.922   3.479  -3.189
  424   1HD   ARG  52          2HD       ARG  52   2.951   4.172  -3.803
  425   2HD   ARG  52          1HD       ARG  52   3.596   2.554  -3.526
  426    HE   ARG  52           HE       ARG  52   2.281   2.673  -6.033
  427   1HH1  ARG  52          1HH1      ARG  52   5.209   3.796  -4.462
  428   2HH1  ARG  52          2HH1      ARG  52   6.164   3.695  -5.914
  429   1HH2  ARG  52          1HH2      ARG  52   3.546   2.575  -7.935
  430   2HH2  ARG  52          2HH2      ARG  52   5.228   3.003  -7.871
  431    H    CYS  53           H        CYS  53   3.599  -1.605  -2.085
  432    HA   CYS  53           HA       CYS  53   1.371  -2.984  -0.856
  433   1HB   CYS  53          2HB       CYS  53   4.225  -3.755  -0.383
  434   2HB   CYS  53          1HB       CYS  53   2.799  -4.781  -0.465
  435    H    LEU  54           H        LEU  54   0.731  -2.575   1.151
  436    HA   LEU  54           HA       LEU  54   2.516  -1.142   2.955
  437   1HB   LEU  54          2HB       LEU  54  -0.129  -0.874   2.629
  438   2HB   LEU  54          1HB       LEU  54  -0.159  -2.152   3.827
  439    HG   LEU  54           HG       LEU  54  -0.422   0.049   4.856
  440   1HD1  LEU  54          1HD1      LEU  54   2.222  -1.240   5.512
  441   2HD1  LEU  54          2HD1      LEU  54   0.648  -1.682   6.174
  442   3HD1  LEU  54          3HD1      LEU  54   1.348  -0.106   6.543
  443   1HD2  LEU  54          1HD2      LEU  54   0.800   1.367   3.214
  444   2HD2  LEU  54          2HD2      LEU  54   2.316   0.631   3.735
  445   3HD2  LEU  54          3HD2      LEU  54   1.410   1.663   4.842
  446    H    ASN  55           H        ASN  55   4.003  -2.393   3.826
  447    HA   ASN  55           HA       ASN  55   4.260  -5.070   3.836
  448   1HB   ASN  55          2HB       ASN  55   5.255  -3.089   5.883
  449   2HB   ASN  55          1HB       ASN  55   5.731  -4.784   5.899
  450   1HD2  ASN  55          1HD2      ASN  55   7.888  -4.284   5.533
  451   2HD2  ASN  55          2HD2      ASN  55   8.457  -3.745   3.995
  452    HA   PRO  56           HA       PRO  56   1.537  -7.541   6.061
  453   1HB   PRO  56          2HB       PRO  56   3.923  -8.203   7.752
  454   2HB   PRO  56          1HB       PRO  56   2.687  -9.282   7.089
  455   1HG   PRO  56          2HG       PRO  56   5.035  -9.014   5.876
  456   2HG   PRO  56          1HG       PRO  56   3.539  -9.150   4.935
  457   1HD   PRO  56          2HD       PRO  56   5.288  -6.809   5.364
  458   2HD   PRO  56          1HD       PRO  56   4.148  -7.142   4.047
  459    H    LYS  57           H        LYS  57   3.420  -5.337   8.049
  460    HA   LYS  57           HA       LYS  57   2.058  -5.636  10.482
  461   1HB   LYS  57          2HB       LYS  57   3.128  -3.058   9.301
  462   2HB   LYS  57          1HB       LYS  57   2.809  -3.376  11.000
  463   1HG   LYS  57          2HG       LYS  57   4.911  -4.700   9.300
  464   2HG   LYS  57          1HG       LYS  57   5.181  -3.478  10.543
  465   1HD   LYS  57          2HD       LYS  57   4.039  -6.236  10.994
  466   2HD   LYS  57          1HD       LYS  57   5.688  -5.727  11.364
  467   1HE   LYS  57          2HE       LYS  57   4.835  -4.100  12.970
  468   2HE   LYS  57          1HE       LYS  57   3.181  -4.571  12.583
  469   1HZ   LYS  57          1HZ       LYS  57   3.789  -6.852  13.336
  470   2HZ   LYS  57          2HZ       LYS  57   3.802  -5.681  14.562
  471   3HZ   LYS  57          3HZ       LYS  57   5.265  -6.225  13.897
  472    H    SER  58           H        SER  58   1.367  -3.692   7.616
  473    HA   SER  58           HA       SER  58  -0.475  -2.601   6.859
  474   1HB   SER  58          2HB       SER  58  -1.913  -4.678   8.527
  475   2HB   SER  58          1HB       SER  58  -2.631  -3.724   7.229
  476    HG   SER  58           HG       SER  58  -0.393  -4.906   6.340
  477    H    LYS  59           H        LYS  59   0.688  -1.759   9.484
  478    HA   LYS  59           HA       LYS  59  -1.368  -1.119  11.301
  479   1HB   LYS  59          2HB       LYS  59   1.299  -1.196  11.478
  480   2HB   LYS  59          1HB       LYS  59   1.105   0.533  11.227
  481   1HG   LYS  59          2HG       LYS  59  -0.250   0.736  13.185
  482   2HG   LYS  59          1HG       LYS  59  -0.302  -1.018  13.389
  483   1HD   LYS  59          2HD       LYS  59   2.196  -0.969  13.623
  484   2HD   LYS  59          1HD       LYS  59   2.096   0.791  13.648
  485   1HE   LYS  59          2HE       LYS  59   0.738  -1.067  15.598
  486   2HE   LYS  59          1HE       LYS  59   2.230  -0.176  15.903
  487   1HZ   LYS  59          1HZ       LYS  59  -0.460   0.980  15.407
  488   2HZ   LYS  59          2HZ       LYS  59   0.966   1.892  15.535
  489   3HZ   LYS  59          3HZ       LYS  59   0.409   1.000  16.864
  490    H    GLN  60           H        GLN  60   0.149   0.718   8.688
  491    HA   GLN  60           HA       GLN  60  -1.489   3.043   9.275
  492   1HB   GLN  60          2HB       GLN  60   0.807   3.448   8.581
  493   2HB   GLN  60          1HB       GLN  60   0.556   2.521   7.107
  494   1HG   GLN  60          2HG       GLN  60  -1.045   4.189   6.324
  495   2HG   GLN  60          1HG       GLN  60  -0.801   5.116   7.803
  496   1HE2  GLN  60          1HE2      GLN  60  -0.337   5.808   4.972
  497   2HE2  GLN  60          2HE2      GLN  60   1.322   6.285   4.881
  498    H    ALA  61           H        ALA  61  -1.520   0.315   7.138
  499    HA   ALA  61           HA       ALA  61  -3.168   1.368   5.102
  500   1HB   ALA  61          1HB       ALA  61  -1.942  -0.746   4.838
  501   2HB   ALA  61          2HB       ALA  61  -3.663  -0.948   4.516
  502   3HB   ALA  61          3HB       ALA  61  -2.984  -1.496   6.048
  503    H    ARG  62           H        ARG  62  -3.717   0.410   8.311
  504    HA   ARG  62           HA       ARG  62  -6.429  -0.103   8.443
  505   1HB   ARG  62          2HB       ARG  62  -4.958  -0.371  10.341
  506   2HB   ARG  62          1HB       ARG  62  -4.564   1.347  10.336
  507   1HG   ARG  62          2HG       ARG  62  -6.861   1.866  10.991
  508   2HG   ARG  62          1HG       ARG  62  -7.262   0.146  10.975
  509   1HD   ARG  62          2HD       ARG  62  -5.610  -0.263  12.718
  510   2HD   ARG  62          1HD       ARG  62  -5.176   1.444  12.721
  511    HE   ARG  62           HE       ARG  62  -7.829   1.492  13.244
  512   1HH1  ARG  62          1HH1      ARG  62  -5.164  -0.291  14.656
  513   2HH1  ARG  62          2HH1      ARG  62  -5.875  -0.339  16.242
  514   1HH2  ARG  62          1HH2      ARG  62  -8.752   1.457  15.312
  515   2HH2  ARG  62          2HH2      ARG  62  -7.915   0.675  16.626
  516    H    LEU  63           H        LEU  63  -4.692   2.965   8.293
  517    HA   LEU  63           HA       LEU  63  -7.148   4.491   8.500
  518   1HB   LEU  63          2HB       LEU  63  -4.318   5.432   8.056
  519   2HB   LEU  63          1HB       LEU  63  -5.694   6.457   8.414
  520    HG   LEU  63           HG       LEU  63  -4.507   4.398  10.277
  521   1HD1  LEU  63          1HD1      LEU  63  -3.778   6.320  11.587
  522   2HD1  LEU  63          2HD1      LEU  63  -4.429   7.411  10.364
  523   3HD1  LEU  63          3HD1      LEU  63  -3.074   6.353   9.970
  524   1HD2  LEU  63          1HD2      LEU  63  -6.920   4.642  10.580
  525   2HD2  LEU  63          2HD2      LEU  63  -6.728   6.390  10.727
  526   3HD2  LEU  63          3HD2      LEU  63  -6.031   5.321  11.944
  527    H    ILE  64           H        ILE  64  -5.206   3.120   6.108
  528    HA   ILE  64           HA       ILE  64  -5.962   4.999   4.064
  529    HB   ILE  64           HB       ILE  64  -4.593   2.305   3.780
  530   1HG1  ILE  64          2HG1      ILE  64  -3.401   5.088   3.871
  531   2HG1  ILE  64          1HG1      ILE  64  -3.328   3.909   5.175
  532   1HG2  ILE  64          1HG2      ILE  64  -5.609   3.021   1.691
  533   2HG2  ILE  64          2HG2      ILE  64  -3.853   3.152   1.588
  534   3HG2  ILE  64          3HG2      ILE  64  -4.833   4.599   1.831
  535   1HD1  ILE  64          1HD1      ILE  64  -2.104   3.584   2.447
  536   2HD1  ILE  64          2HD1      ILE  64  -2.014   2.421   3.769
  537   3HD1  ILE  64          3HD1      ILE  64  -1.245   3.999   3.929
  538    H    ILE  65           H        ILE  65  -7.338   2.322   5.556
  539    HA   ILE  65           HA       ILE  65  -8.812   1.204   3.438
  540    HB   ILE  65           HB       ILE  65  -9.220   1.195   6.415
  541   1HG1  ILE  65          2HG1      ILE  65  -7.445  -0.223   5.546
  542   2HG1  ILE  65          1HG1      ILE  65  -8.776  -1.223   6.117
  543   1HG2  ILE  65          1HG2      ILE  65 -11.436   1.247   5.390
  544   2HG2  ILE  65          2HG2      ILE  65 -11.104  -0.330   6.114
  545   3HG2  ILE  65          3HG2      ILE  65 -11.000  -0.120   4.365
  546   1HD1  ILE  65          1HD1      ILE  65  -7.851  -2.054   4.021
  547   2HD1  ILE  65          2HD1      ILE  65  -8.226  -0.515   3.243
  548   3HD1  ILE  65          3HD1      ILE  65  -9.530  -1.549   3.828
  549    H    LYS  66           H        LYS  66  -9.614   3.765   5.779
  550    HA   LYS  66           HA       LYS  66 -12.172   4.185   4.599
  551   1HB   LYS  66          2HB       LYS  66 -11.643   4.800   6.973
  552   2HB   LYS  66          1HB       LYS  66 -10.639   6.111   6.359
  553   1HG   LYS  66          2HG       LYS  66 -12.592   7.097   5.270
  554   2HG   LYS  66          1HG       LYS  66 -13.596   5.790   5.890
  555   1HD   LYS  66          2HD       LYS  66 -13.072   6.491   8.182
  556   2HD   LYS  66          1HD       LYS  66 -12.094   7.816   7.543
  557   1HE   LYS  66          2HE       LYS  66 -14.046   8.769   6.460
  558   2HE   LYS  66          1HE       LYS  66 -15.035   7.417   7.007
  559   1HZ   LYS  66          1HZ       LYS  66 -15.391   9.294   8.429
  560   2HZ   LYS  66          2HZ       LYS  66 -13.732   9.469   8.715
  561   3HZ   LYS  66          3HZ       LYS  66 -14.559   8.110   9.309
  562    H    LYS  67           H        LYS  67  -9.167   4.718   3.498
  563    HA   LYS  67           HA       LYS  67  -9.725   7.238   2.167
  564   1HB   LYS  67          2HB       LYS  67  -7.262   5.528   2.405
  565   2HB   LYS  67          1HB       LYS  67  -7.362   6.806   1.199
  566   1HG   LYS  67          2HG       LYS  67  -7.423   8.488   2.795
  567   2HG   LYS  67          1HG       LYS  67  -7.948   7.393   4.072
  568   1HD   LYS  67          2HD       LYS  67  -5.601   8.138   4.327
  569   2HD   LYS  67          1HD       LYS  67  -5.758   6.388   4.179
  570   1HE   LYS  67          2HE       LYS  67  -3.882   7.173   2.867
  571   2HE   LYS  67          1HE       LYS  67  -5.144   6.554   1.805
  572   1HZ   LYS  67          1HZ       LYS  67  -5.850   8.845   1.420
  573   2HZ   LYS  67          2HZ       LYS  67  -4.252   8.591   0.933
  574   3HZ   LYS  67          3HZ       LYS  67  -4.582   9.413   2.384
  575    H    VAL  68           H        VAL  68  -9.568   3.839   1.613
  576    HA   VAL  68           HA       VAL  68 -10.131   4.094  -1.230
  577    HB   VAL  68           HB       VAL  68 -10.400   1.565   0.386
  578   1HG1  VAL  68          1HG1      VAL  68  -9.648   2.096  -2.483
  579   2HG1  VAL  68          2HG1      VAL  68 -11.189   1.468  -1.899
  580   3HG1  VAL  68          3HG1      VAL  68  -9.721   0.505  -1.728
  581   1HG2  VAL  68          1HG2      VAL  68  -7.846   2.699  -0.727
  582   2HG2  VAL  68          2HG2      VAL  68  -8.043   1.079  -0.055
  583   3HG2  VAL  68          3HG2      VAL  68  -8.242   2.495   0.978
  584    H    GLU  69           H        GLU  69 -11.698   4.140   1.746
  585    HA   GLU  69           HA       GLU  69 -14.182   2.935   1.013
  586   1HB   GLU  69          2HB       GLU  69 -13.424   3.013   3.327
  587   2HB   GLU  69          1HB       GLU  69 -13.431   4.772   3.289
  588   1HG   GLU  69          2HG       GLU  69 -15.892   4.617   2.803
  589   2HG   GLU  69          1HG       GLU  69 -15.775   2.909   3.227
  590    H    ARG  70           H        ARG  70 -12.804   6.086   0.690
  591    HA   ARG  70           HA       ARG  70 -15.138   7.656   0.689
  592   1HB   ARG  70          2HB       ARG  70 -12.658   8.373   0.804
  593   2HB   ARG  70          1HB       ARG  70 -12.701   8.305  -0.952
  594   1HG   ARG  70          2HG       ARG  70 -14.523   9.942  -0.963
  595   2HG   ARG  70          1HG       ARG  70 -14.451  10.021   0.798
  596   1HD   ARG  70          2HD       ARG  70 -13.230  11.884  -0.038
  597   2HD   ARG  70          1HD       ARG  70 -12.052  10.720   0.572
  598    HE   ARG  70           HE       ARG  70 -11.829  10.022  -1.851
  599   1HH1  ARG  70          1HH1      ARG  70 -12.668  13.284  -0.859
  600   2HH1  ARG  70          2HH1      ARG  70 -12.030  14.014  -2.303
  601   1HH2  ARG  70          1HH2      ARG  70 -11.005  10.999  -3.756
  602   2HH2  ARG  70          2HH2      ARG  70 -11.093  12.727  -3.944
  603    H    LYS  71           H        LYS  71 -16.807   7.132  -0.575
  604    HA   LYS  71           HA       LYS  71 -16.397   5.868  -3.134
  605   1HB   LYS  71          2HB       LYS  71 -18.164   5.177  -1.509
  606   2HB   LYS  71          1HB       LYS  71 -18.989   6.694  -1.825
  607   1HG   LYS  71          2HG       LYS  71 -19.316   6.066  -4.147
  608   2HG   LYS  71          1HG       LYS  71 -18.419   4.567  -3.883
  609   1HD   LYS  71          2HD       LYS  71 -20.110   3.912  -2.187
  610   2HD   LYS  71          1HD       LYS  71 -21.024   5.366  -2.583
  611   1HE   LYS  71          2HE       LYS  71 -20.356   3.137  -4.498
  612   2HE   LYS  71          1HE       LYS  71 -21.909   3.367  -3.700
  613   1HZ   LYS  71          1HZ       LYS  71 -22.107   4.262  -5.853
  614   2HZ   LYS  71          2HZ       LYS  71 -20.639   5.099  -5.741
  615   3HZ   LYS  71          3HZ       LYS  71 -21.975   5.600  -4.816
  616    H    ASN  72           H        ASN  72 -15.505   7.401  -4.455
  617    HA   ASN  72           HA       ASN  72 -17.135   9.756  -5.097
  618   1HB   ASN  72          2HB       ASN  72 -14.300   8.994  -5.828
  619   2HB   ASN  72          1HB       ASN  72 -15.125  10.399  -6.494
  620   1HD2  ASN  72          1HD2      ASN  72 -13.808   8.947  -3.613
  621   2HD2  ASN  72          2HD2      ASN  72 -13.713  10.407  -2.690
  622    H    PHE  73           H        PHE  73 -17.173   6.705  -5.833
  623    HA   PHE  73           HA       PHE  73 -17.688   7.111  -8.691
  624   1HB   PHE  73          2HB       PHE  73 -17.340   4.494  -8.691
  625   2HB   PHE  73          1HB       PHE  73 -15.959   5.582  -8.757
  626    HD1  PHE  73           1HD      PHE  73 -17.801   3.178  -6.706
  627    HD2  PHE  73           2HD      PHE  73 -14.480   5.840  -6.849
  628    HE1  PHE  73           1HE      PHE  73 -16.859   2.109  -4.703
  629    HE2  PHE  73           2HE      PHE  73 -13.536   4.773  -4.844
  630    HZ   PHE  73           HZ       PHE  73 -14.721   2.904  -3.769
  Start of MODEL   10
    1   1H    PHE   1          1HT       PHE   1  24.740 -17.443   8.347
    2   2H    PHE   1          2HT       PHE   1  26.239 -16.654   8.315
    3   3H    PHE   1          3HT       PHE   1  26.140 -18.289   7.892
    4    HA   PHE   1           HA       PHE   1  26.376 -16.946   5.933
    5   1HB   PHE   1          2HB       PHE   1  23.618 -18.147   6.304
    6   2HB   PHE   1          1HB       PHE   1  24.275 -17.662   4.745
    7    HD1  PHE   1           1HD      PHE   1  24.306 -20.163   7.375
    8    HD2  PHE   1           2HD      PHE   1  26.146 -18.888   3.755
    9    HE1  PHE   1           1HE      PHE   1  25.344 -22.380   7.129
   10    HE2  PHE   1           2HE      PHE   1  27.187 -21.103   3.502
   11    HZ   PHE   1           HZ       PHE   1  26.786 -22.852   5.193
   12    HA   PRO   2           HA       PRO   2  24.583 -12.899   6.019
   13   1HB   PRO   2          2HB       PRO   2  24.778 -12.812   3.110
   14   2HB   PRO   2          1HB       PRO   2  25.693 -11.904   4.315
   15   1HG   PRO   2          2HG       PRO   2  26.809 -13.842   2.785
   16   2HG   PRO   2          1HG       PRO   2  27.360 -13.484   4.433
   17   1HD   PRO   2          2HD       PRO   2  25.571 -15.681   3.462
   18   2HD   PRO   2          1HD       PRO   2  26.878 -15.742   4.666
   19    H    MET   3           H        MET   3  22.485 -12.554   6.299
   20    HA   MET   3           HA       MET   3  20.457 -13.994   4.908
   21   1HB   MET   3          2HB       MET   3  20.295 -11.542   6.674
   22   2HB   MET   3          1HB       MET   3  18.895 -12.408   6.055
   23   1HG   MET   3          2HG       MET   3  19.596 -14.411   7.256
   24   2HG   MET   3          1HG       MET   3  21.009 -13.554   7.869
   25   1HE   MET   3          1HE       MET   3  18.878 -15.122   9.663
   26   2HE   MET   3          2HE       MET   3  18.682 -14.006  11.012
   27   3HE   MET   3          3HE       MET   3  20.287 -14.306  10.344
   28    H    PHE   4           H        PHE   4  19.051 -13.300   3.309
   29    HA   PHE   4           HA       PHE   4  20.208 -11.485   1.435
   30   1HB   PHE   4          2HB       PHE   4  17.570 -12.955   1.458
   31   2HB   PHE   4          1HB       PHE   4  18.096 -11.931   0.125
   32    HD1  PHE   4           1HD      PHE   4  18.468 -15.142   1.769
   33    HD2  PHE   4           2HD      PHE   4  20.054 -12.561  -1.220
   34    HE1  PHE   4           1HE      PHE   4  19.702 -17.035   0.796
   35    HE2  PHE   4           2HE      PHE   4  21.292 -14.451  -2.195
   36    HZ   PHE   4           HZ       PHE   4  21.117 -16.694  -1.186
   37    H    LYS   5           H        LYS   5  19.736  -9.431   1.021
   38    HA   LYS   5           HA       LYS   5  18.408  -7.863   2.943
   39   1HB   LYS   5          2HB       LYS   5  18.737  -6.008   1.302
   40   2HB   LYS   5          1HB       LYS   5  20.203  -6.905   1.670
   41   1HG   LYS   5          2HG       LYS   5  19.676  -8.250  -0.453
   42   2HG   LYS   5          1HG       LYS   5  18.561  -6.935  -0.833
   43   1HD   LYS   5          2HD       LYS   5  20.384  -5.329  -0.701
   44   2HD   LYS   5          1HD       LYS   5  21.507  -6.620  -0.268
   45   1HE   LYS   5          2HE       LYS   5  20.910  -7.713  -2.461
   46   2HE   LYS   5          1HE       LYS   5  20.053  -6.229  -2.876
   47   1HZ   LYS   5          1HZ       LYS   5  22.260  -6.186  -3.792
   48   2HZ   LYS   5          2HZ       LYS   5  22.952  -6.484  -2.276
   49   3HZ   LYS   5          3HZ       LYS   5  22.154  -5.013  -2.569
   50    H    ARG   6           H        ARG   6  16.523  -6.597   2.746
   51    HA   ARG   6           HA       ARG   6  14.309  -6.257   2.341
   52   1HB   ARG   6          2HB       ARG   6  14.706  -7.716  -0.280
   53   2HB   ARG   6          1HB       ARG   6  13.387  -6.634   0.138
   54   1HG   ARG   6          2HG       ARG   6  14.900  -4.749   0.188
   55   2HG   ARG   6          1HG       ARG   6  16.271  -5.816  -0.120
   56   1HD   ARG   6          2HD       ARG   6  15.102  -6.489  -2.261
   57   2HD   ARG   6          1HD       ARG   6  13.981  -5.162  -1.963
   58    HE   ARG   6           HE       ARG   6  16.661  -4.246  -1.851
   59   1HH1  ARG   6          1HH1      ARG   6  14.175  -5.245  -4.115
   60   2HH1  ARG   6          2HH1      ARG   6  14.838  -4.332  -5.435
   61   1HH2  ARG   6          1HH2      ARG   6  17.558  -3.084  -3.613
   62   2HH2  ARG   6          2HH2      ARG   6  16.741  -3.105  -5.155
   63    H    GLY   7           H        GLY   7  12.298  -7.845   1.329
   64   1HA   GLY   7          2HA       GLY   7  11.900 -10.338   1.291
   65   2HA   GLY   7          1HA       GLY   7  12.666 -10.334   2.872
   66    H    ARG   8           H        ARG   8  11.491  -9.843   4.651
   67    HA   ARG   8           HA       ARG   8   9.640  -9.719   5.955
   68   1HB   ARG   8          2HB       ARG   8   8.806  -7.836   3.751
   69   2HB   ARG   8          1HB       ARG   8   7.778  -8.161   5.139
   70   1HG   ARG   8          2HG       ARG   8  10.560  -7.015   5.248
   71   2HG   ARG   8          1HG       ARG   8   9.055  -6.108   5.421
   72   1HD   ARG   8          2HD       ARG   8   8.494  -7.581   7.361
   73   2HD   ARG   8          1HD       ARG   8  10.116  -8.260   7.238
   74    HE   ARG   8           HE       ARG   8   9.939  -5.368   7.509
   75   1HH1  ARG   8          1HH1      ARG   8  10.586  -8.469   9.006
   76   2HH1  ARG   8          2HH1      ARG   8  11.226  -7.769  10.469
   77   1HH2  ARG   8          1HH2      ARG   8  10.791  -4.455   9.402
   78   2HH2  ARG   8          2HH2      ARG   8  11.340  -5.481  10.689
   79    H    CYS   9           H        CYS   9   7.362  -9.173   3.498
   80    HA   CYS   9           HA       CYS   9   6.768 -12.032   3.210
   81   1HB   CYS   9          2HB       CYS   9   4.695  -9.863   3.683
   82   2HB   CYS   9          1HB       CYS   9   4.364 -11.587   3.474
   83    H    LEU  10           H        LEU  10   8.142  -9.961   1.676
   84    HA   LEU  10           HA       LEU  10   8.476  -9.478  -0.519
   85   1HB   LEU  10          2HB       LEU  10   7.150 -11.424  -1.230
   86   2HB   LEU  10          1HB       LEU  10   5.680 -10.487  -1.042
   87    HG   LEU  10           HG       LEU  10   6.682  -8.875  -2.775
   88   1HD1  LEU  10          1HD1      LEU  10   8.298  -9.860  -4.313
   89   2HD1  LEU  10          2HD1      LEU  10   8.434 -11.283  -3.280
   90   3HD1  LEU  10          3HD1      LEU  10   8.968  -9.708  -2.690
   91   1HD2  LEU  10          1HD2      LEU  10   5.884 -11.684  -3.566
   92   2HD2  LEU  10          2HD2      LEU  10   5.893 -10.284  -4.638
   93   3HD2  LEU  10          3HD2      LEU  10   4.799 -10.331  -3.256
   94    H    CYS  11           H        CYS  11   7.907  -7.830  -1.981
   95    HA   CYS  11           HA       CYS  11   7.268  -5.843  -2.678
   96   1HB   CYS  11          2HB       CYS  11   4.957  -5.178  -2.573
   97   2HB   CYS  11          1HB       CYS  11   5.102  -6.880  -2.970
   98    H    ILE  12           H        ILE  12   7.560  -3.841  -2.264
   99    HA   ILE  12           HA       ILE  12   7.100  -2.349   0.001
  100    HB   ILE  12           HB       ILE  12   8.533  -4.097   1.115
  101   1HG1  ILE  12          2HG1      ILE  12   8.349  -1.542   1.743
  102   2HG1  ILE  12          1HG1      ILE  12   9.453  -2.608   2.601
  103   1HG2  ILE  12          1HG2      ILE  12  10.075  -4.600  -0.638
  104   2HG2  ILE  12          2HG2      ILE  12  10.977  -3.991   0.751
  105   3HG2  ILE  12          3HG2      ILE  12  10.682  -2.943  -0.636
  106   1HD1  ILE  12          1HD1      ILE  12  10.491  -0.478   2.091
  107   2HD1  ILE  12          2HD1      ILE  12  10.185  -0.721   0.371
  108   3HD1  ILE  12          3HD1      ILE  12  11.298  -1.788   1.229
  109    H    GLY  13           H        GLY  13   8.041  -0.242  -0.236
  110   1HA   GLY  13          2HA       GLY  13  10.084   0.683  -1.652
  111   2HA   GLY  13          1HA       GLY  13   9.013   0.211  -2.940
  112    HA   PRO  14           HA       PRO  14   6.866   3.981  -2.817
  113   1HB   PRO  14          2HB       PRO  14   4.291   2.529  -2.869
  114   2HB   PRO  14          1HB       PRO  14   5.027   3.556  -4.105
  115   1HG   PRO  14          2HG       PRO  14   4.872   0.886  -4.386
  116   2HG   PRO  14          1HG       PRO  14   6.244   1.820  -5.010
  117   1HD   PRO  14          2HD       PRO  14   6.025   0.217  -2.494
  118   2HD   PRO  14          1HD       PRO  14   7.361   0.282  -3.659
  119    H    GLY  15           H        GLY  15   7.288   4.718  -0.796
  120   1HA   GLY  15          2HA       GLY  15   5.506   3.866   1.382
  121   2HA   GLY  15          1HA       GLY  15   7.078   4.618   1.596
  122    H    VAL  16           H        VAL  16   3.778   5.053   1.476
  123    HA   VAL  16           HA       VAL  16   2.328   6.760   1.536
  124    HB   VAL  16           HB       VAL  16   2.813   8.541   3.170
  125   1HG1  VAL  16          1HG1      VAL  16   3.417   5.712   4.014
  126   2HG1  VAL  16          2HG1      VAL  16   1.824   6.458   3.866
  127   3HG1  VAL  16          3HG1      VAL  16   2.951   7.019   5.103
  128   1HG2  VAL  16          1HG2      VAL  16   4.848   8.427   4.521
  129   2HG2  VAL  16          2HG2      VAL  16   5.219   8.793   2.836
  130   3HG2  VAL  16          3HG2      VAL  16   5.483   7.166   3.465
  131    H    LYS  17           H        LYS  17   1.721   7.889  -0.054
  132    HA   LYS  17           HA       LYS  17   3.336  10.206  -0.857
  133   1HB   LYS  17          2HB       LYS  17   3.564   8.491  -2.592
  134   2HB   LYS  17          1HB       LYS  17   1.815   8.365  -2.715
  135   1HG   LYS  17          2HG       LYS  17   2.750   9.688  -4.534
  136   2HG   LYS  17          1HG       LYS  17   1.682  10.652  -3.513
  137   1HD   LYS  17          2HD       LYS  17   3.700  11.482  -2.307
  138   2HD   LYS  17          1HD       LYS  17   4.695  10.635  -3.494
  139   1HE   LYS  17          2HE       LYS  17   3.721  11.971  -5.282
  140   2HE   LYS  17          1HE       LYS  17   2.683  12.794  -4.117
  141   1HZ   LYS  17          1HZ       LYS  17   4.601  14.131  -4.647
  142   2HZ   LYS  17          2HZ       LYS  17   5.647  12.882  -4.179
  143   3HZ   LYS  17          3HZ       LYS  17   4.669  13.646  -3.022
  144    H    ALA  18           H        ALA  18   0.159   8.660  -0.912
  145    HA   ALA  18           HA       ALA  18  -1.943   9.441  -0.648
  146   1HB   ALA  18          1HB       ALA  18  -0.657  11.943   0.437
  147   2HB   ALA  18          2HB       ALA  18  -1.072  10.512   1.382
  148   3HB   ALA  18          3HB       ALA  18  -2.345  11.468   0.622
  149    H    VAL  19           H        VAL  19  -2.432   9.442  -2.786
  150    HA   VAL  19           HA       VAL  19  -2.337  12.025  -4.178
  151    HB   VAL  19           HB       VAL  19  -2.810  10.685  -6.258
  152   1HG1  VAL  19          1HG1      VAL  19  -0.573  11.488  -5.777
  153   2HG1  VAL  19          2HG1      VAL  19  -0.497   9.880  -6.501
  154   3HG1  VAL  19          3HG1      VAL  19  -0.262  10.077  -4.764
  155   1HG2  VAL  19          1HG2      VAL  19  -3.689   8.670  -5.124
  156   2HG2  VAL  19          2HG2      VAL  19  -2.066   8.333  -4.519
  157   3HG2  VAL  19          3HG2      VAL  19  -2.383   8.307  -6.253
  158    H    LYS  20           H        LYS  20  -4.449  10.832  -6.021
  159    HA   LYS  20           HA       LYS  20  -6.726  11.906  -4.752
  160   1HB   LYS  20          2HB       LYS  20  -6.690   9.939  -7.048
  161   2HB   LYS  20          1HB       LYS  20  -7.992  11.040  -6.631
  162   1HG   LYS  20          2HG       LYS  20  -7.027  12.092  -8.433
  163   2HG   LYS  20          1HG       LYS  20  -6.219  12.889  -7.083
  164   1HD   LYS  20          2HD       LYS  20  -4.265  11.533  -7.368
  165   2HD   LYS  20          1HD       LYS  20  -5.080  10.514  -8.552
  166   1HE   LYS  20          2HE       LYS  20  -3.604  12.016  -9.708
  167   2HE   LYS  20          1HE       LYS  20  -5.270  12.485 -10.047
  168   1HZ   LYS  20          1HZ       LYS  20  -3.468  13.784  -8.074
  169   2HZ   LYS  20          2HZ       LYS  20  -5.075  14.233  -8.384
  170   3HZ   LYS  20          3HZ       LYS  20  -3.899  14.411  -9.593
  171    H    VAL  21           H        VAL  21  -7.308  10.974  -2.837
  172    HA   VAL  21           HA       VAL  21  -6.545   8.393  -2.085
  173    HB   VAL  21           HB       VAL  21  -7.956   8.729  -0.075
  174   1HG1  VAL  21          1HG1      VAL  21  -5.671   9.598  -0.182
  175   2HG1  VAL  21          2HG1      VAL  21  -6.710  10.646   0.784
  176   3HG1  VAL  21          3HG1      VAL  21  -6.274  11.110  -0.862
  177   1HG2  VAL  21          1HG2      VAL  21  -9.133  10.858   0.226
  178   2HG2  VAL  21          2HG2      VAL  21  -9.811   9.935  -1.116
  179   3HG2  VAL  21          3HG2      VAL  21  -8.749  11.306  -1.436
  180    H    ALA  22           H        ALA  22  -9.362   9.320  -3.827
  181    HA   ALA  22           HA       ALA  22 -10.473   6.632  -3.330
  182   1HB   ALA  22          1HB       ALA  22 -12.679   7.528  -3.907
  183   2HB   ALA  22          2HB       ALA  22 -11.973   9.127  -4.148
  184   3HB   ALA  22          3HB       ALA  22 -11.978   8.397  -2.541
  185    H    ASP  23           H        ASP  23  -8.420   7.532  -5.198
  186    HA   ASP  23           HA       ASP  23  -9.653   6.478  -7.658
  187   1HB   ASP  23          2HB       ASP  23  -9.155   9.045  -7.652
  188   2HB   ASP  23          1HB       ASP  23  -7.471   8.559  -7.729
  189    H    ILE  24           H        ILE  24  -6.696   7.303  -5.973
  190    HA   ILE  24           HA       ILE  24  -5.489   4.706  -6.401
  191    HB   ILE  24           HB       ILE  24  -3.351   6.064  -7.195
  192   1HG1  ILE  24          2HG1      ILE  24  -5.663   7.766  -8.209
  193   2HG1  ILE  24          1HG1      ILE  24  -4.509   8.264  -6.980
  194   1HG2  ILE  24          1HG2      ILE  24  -5.658   5.360  -9.017
  195   2HG2  ILE  24          2HG2      ILE  24  -4.460   4.234  -8.369
  196   3HG2  ILE  24          3HG2      ILE  24  -3.965   5.507  -9.492
  197   1HD1  ILE  24          1HD1      ILE  24  -2.716   8.150  -8.621
  198   2HD1  ILE  24          2HD1      ILE  24  -3.999   9.251  -9.124
  199   3HD1  ILE  24          3HD1      ILE  24  -3.874   7.648  -9.850
  200    H    GLU  25           H        GLU  25  -3.298   4.745  -5.256
  201    HA   GLU  25           HA       GLU  25  -2.640   4.485  -3.108
  202   1HB   GLU  25          2HB       GLU  25  -2.045   6.860  -3.369
  203   2HB   GLU  25          1HB       GLU  25  -3.677   7.332  -2.925
  204   1HG   GLU  25          2HG       GLU  25  -2.467   7.712  -0.992
  205   2HG   GLU  25          1HG       GLU  25  -3.205   6.141  -0.701
  206    H    LYS  26           H        LYS  26  -4.377   2.996  -3.308
  207    HA   LYS  26           HA       LYS  26  -6.419   3.294  -1.267
  208   1HB   LYS  26          2HB       LYS  26  -6.961   2.593  -4.159
  209   2HB   LYS  26          1HB       LYS  26  -8.059   2.138  -2.865
  210   1HG   LYS  26          2HG       LYS  26  -8.195   4.596  -2.303
  211   2HG   LYS  26          1HG       LYS  26  -7.354   4.890  -3.826
  212   1HD   LYS  26          2HD       LYS  26  -9.997   3.466  -3.487
  213   2HD   LYS  26          1HD       LYS  26  -9.760   5.089  -4.135
  214   1HE   LYS  26          2HE       LYS  26  -9.662   4.142  -6.149
  215   2HE   LYS  26          1HE       LYS  26  -8.091   3.505  -5.675
  216   1HZ   LYS  26          1HZ       LYS  26  -9.273   1.657  -6.383
  217   2HZ   LYS  26          2HZ       LYS  26 -10.717   2.154  -5.651
  218   3HZ   LYS  26          3HZ       LYS  26  -9.437   1.577  -4.697
  219    H    ALA  27           H        ALA  27  -5.583   1.721   0.005
  220    HA   ALA  27           HA       ALA  27  -4.710  -0.796  -1.129
  221   1HB   ALA  27          1HB       ALA  27  -3.385   0.097   0.617
  222   2HB   ALA  27          2HB       ALA  27  -4.167  -1.361   1.228
  223   3HB   ALA  27          3HB       ALA  27  -4.773   0.230   1.696
  224    H    SER  28           H        SER  28  -6.056  -2.371  -1.514
  225    HA   SER  28           HA       SER  28  -8.218  -2.926   0.379
  226   1HB   SER  28          2HB       SER  28  -8.553  -2.924  -2.614
  227   2HB   SER  28          1HB       SER  28  -9.795  -3.252  -1.411
  228    HG   SER  28           HG       SER  28  -9.095  -1.009  -0.642
  229    H    ILE  29           H        ILE  29  -6.484  -4.603   0.908
  230    HA   ILE  29           HA       ILE  29  -7.672  -7.009  -0.073
  231    HB   ILE  29           HB       ILE  29  -5.800  -6.745  -1.688
  232   1HG1  ILE  29          2HG1      ILE  29  -5.489  -9.055   0.244
  233   2HG1  ILE  29          1HG1      ILE  29  -6.642  -8.977  -1.084
  234   1HG2  ILE  29          1HG2      ILE  29  -4.206  -5.570  -0.350
  235   2HG2  ILE  29          2HG2      ILE  29  -3.491  -7.099  -0.868
  236   3HG2  ILE  29          3HG2      ILE  29  -4.093  -6.920   0.781
  237   1HD1  ILE  29          1HD1      ILE  29  -4.782  -8.905  -2.676
  238   2HD1  ILE  29          2HD1      ILE  29  -4.743 -10.354  -1.670
  239   3HD1  ILE  29          3HD1      ILE  29  -3.644  -9.017  -1.333
  240    H    MET  30           H        MET  30  -7.283  -8.788   1.383
  241    HA   MET  30           HA       MET  30  -5.619  -8.166   3.705
  242   1HB   MET  30          2HB       MET  30  -7.913  -7.580   4.343
  243   2HB   MET  30          1HB       MET  30  -8.462  -9.188   3.886
  244   1HG   MET  30          2HG       MET  30  -7.061 -10.166   5.629
  245   2HG   MET  30          1HG       MET  30  -6.512  -8.554   6.090
  246   1HE   MET  30          1HE       MET  30  -9.248  -6.922   5.671
  247   2HE   MET  30          2HE       MET  30  -8.191  -6.663   7.058
  248   3HE   MET  30          3HE       MET  30  -9.915  -6.949   7.302
  249    H    TYR  31           H        TYR  31  -4.119  -9.620   2.814
  250    HA   TYR  31           HA       TYR  31  -4.730 -12.387   3.468
  251   1HB   TYR  31          2HB       TYR  31  -5.198 -11.864   0.945
  252   2HB   TYR  31          1HB       TYR  31  -3.447 -11.822   0.815
  253    HD1  TYR  31           1HD      TYR  31  -6.224 -14.002   1.975
  254    HD2  TYR  31           2HD      TYR  31  -2.264 -13.795   0.438
  255    HE1  TYR  31           1HE      TYR  31  -6.195 -16.448   1.735
  256    HE2  TYR  31           2HE      TYR  31  -2.225 -16.240   0.194
  257    HH   TYR  31           HH       TYR  31  -5.060 -18.152   0.499
  258    HA   PRO  32           HA       PRO  32  -0.656 -11.995   5.183
  259   1HB   PRO  32          2HB       PRO  32  -0.040 -14.648   5.275
  260   2HB   PRO  32          1HB       PRO  32  -1.132 -13.847   6.413
  261   1HG   PRO  32          2HG       PRO  32  -1.787 -15.401   3.937
  262   2HG   PRO  32          1HG       PRO  32  -2.506 -15.536   5.557
  263   1HD   PRO  32          2HD       PRO  32  -3.769 -14.137   3.668
  264   2HD   PRO  32          1HD       PRO  32  -3.682 -13.519   5.333
  265    H    SER  33           H        SER  33  -0.749 -11.604   2.327
  266    HA   SER  33           HA       SER  33   0.728 -11.275   0.658
  267   1HB   SER  33          2HB       SER  33   2.900 -10.909   1.254
  268   2HB   SER  33          1HB       SER  33   2.202 -11.022   2.871
  269    HG   SER  33           HG       SER  33   4.027 -12.610   1.673
  270    H    ASN  34           H        ASN  34  -0.060 -14.243   1.726
  271    HA   ASN  34           HA       ASN  34  -0.014 -16.345   0.928
  272   1HB   ASN  34          2HB       ASN  34  -0.565 -15.259  -1.228
  273   2HB   ASN  34          1HB       ASN  34   1.148 -15.090  -1.574
  274   1HD2  ASN  34          1HD2      ASN  34   2.254 -16.794  -2.404
  275   2HD2  ASN  34          2HD2      ASN  34   1.525 -18.314  -2.808
  276    H    ASN  35           H        ASN  35   2.589 -14.736   1.882
  277    HA   ASN  35           HA       ASN  35   4.256 -17.155   1.738
  278   1HB   ASN  35          2HB       ASN  35   4.972 -15.401  -0.004
  279   2HB   ASN  35          1HB       ASN  35   5.427 -14.389   1.359
  280   1HD2  ASN  35          1HD2      ASN  35   7.276 -14.871   2.509
  281   2HD2  ASN  35          2HD2      ASN  35   8.411 -16.074   2.005
  282    H    CYS  36           H        CYS  36   2.454 -15.780   3.609
  283    HA   CYS  36           HA       CYS  36   4.177 -15.599   5.903
  284   1HB   CYS  36          2HB       CYS  36   3.255 -13.231   4.464
  285   2HB   CYS  36          1HB       CYS  36   2.894 -13.207   6.200
  286    H    ASP  37           H        ASP  37   2.783 -14.511   7.698
  287    HA   ASP  37           HA       ASP  37   0.106 -15.765   7.660
  288   1HB   ASP  37          2HB       ASP  37   2.068 -15.510   9.947
  289   2HB   ASP  37          1HB       ASP  37   0.370 -15.919  10.172
  290    H    LYS  38           H        LYS  38   1.762 -13.039   7.475
  291    HA   LYS  38           HA       LYS  38  -0.285 -11.485   8.854
  292   1HB   LYS  38          2HB       LYS  38   1.342  -9.727   9.213
  293   2HB   LYS  38          1HB       LYS  38   1.877 -11.229   9.931
  294   1HG   LYS  38          2HG       LYS  38   3.326 -11.574   7.915
  295   2HG   LYS  38          1HG       LYS  38   2.889  -9.925   7.446
  296   1HD   LYS  38          2HD       LYS  38   3.939  -8.977   9.313
  297   2HD   LYS  38          1HD       LYS  38   3.986 -10.510  10.179
  298   1HE   LYS  38          2HE       LYS  38   5.581  -9.886   7.697
  299   2HE   LYS  38          1HE       LYS  38   6.199  -9.764   9.344
  300   1HZ   LYS  38          1HZ       LYS  38   5.811 -12.126   9.641
  301   2HZ   LYS  38          2HZ       LYS  38   6.809 -11.866   8.297
  302   3HZ   LYS  38          3HZ       LYS  38   5.179 -12.250   8.076
  303    H    ILE  39           H        ILE  39  -0.802  -9.489   7.775
  304    HA   ILE  39           HA       ILE  39  -1.406 -10.519   5.124
  305    HB   ILE  39           HB       ILE  39  -3.353  -9.117   5.118
  306   1HG1  ILE  39          2HG1      ILE  39  -2.399  -8.043   7.791
  307   2HG1  ILE  39          1HG1      ILE  39  -2.337  -7.153   6.274
  308   1HG2  ILE  39          1HG2      ILE  39  -2.976 -10.512   7.764
  309   2HG2  ILE  39          2HG2      ILE  39  -3.508 -11.248   6.253
  310   3HG2  ILE  39          3HG2      ILE  39  -4.526 -10.055   7.058
  311   1HD1  ILE  39          1HD1      ILE  39  -4.770  -7.222   6.133
  312   2HD1  ILE  39          2HD1      ILE  39  -4.228  -6.464   7.632
  313   3HD1  ILE  39          3HD1      ILE  39  -4.831  -8.121   7.648
  314    H    GLU  40           H        GLU  40  -1.735  -9.108   3.343
  315    HA   GLU  40           HA       GLU  40   0.192  -6.896   3.205
  316   1HB   GLU  40          2HB       GLU  40   0.324  -7.421   0.790
  317   2HB   GLU  40          1HB       GLU  40   0.754  -8.803   1.786
  318   1HG   GLU  40          2HG       GLU  40  -1.185  -9.948   1.312
  319   2HG   GLU  40          1HG       GLU  40  -2.028  -8.504   0.758
  320    H    VAL  41           H        VAL  41  -0.418  -5.104   1.804
  321    HA   VAL  41           HA       VAL  41  -3.292  -4.959   1.192
  322    HB   VAL  41           HB       VAL  41  -2.989  -2.400   1.470
  323   1HG1  VAL  41          1HG1      VAL  41  -3.182  -4.238   3.848
  324   2HG1  VAL  41          2HG1      VAL  41  -4.509  -3.710   2.811
  325   3HG1  VAL  41          3HG1      VAL  41  -3.668  -2.542   3.830
  326   1HG2  VAL  41          1HG2      VAL  41  -1.440  -1.723   3.211
  327   2HG2  VAL  41          2HG2      VAL  41  -0.577  -2.435   1.846
  328   3HG2  VAL  41          3HG2      VAL  41  -0.822  -3.373   3.320
  329    H    ILE  42           H        ILE  42  -3.836  -4.216  -0.803
  330    HA   ILE  42           HA       ILE  42  -1.575  -3.658  -2.576
  331    HB   ILE  42           HB       ILE  42  -4.385  -4.545  -3.267
  332   1HG1  ILE  42          2HG1      ILE  42  -1.715  -5.961  -3.488
  333   2HG1  ILE  42          1HG1      ILE  42  -2.978  -6.322  -2.316
  334   1HG2  ILE  42          1HG2      ILE  42  -2.033  -3.999  -5.077
  335   2HG2  ILE  42          2HG2      ILE  42  -3.505  -3.035  -4.969
  336   3HG2  ILE  42          3HG2      ILE  42  -3.577  -4.689  -5.580
  337   1HD1  ILE  42          1HD1      ILE  42  -2.963  -7.930  -4.134
  338   2HD1  ILE  42          2HD1      ILE  42  -3.200  -6.630  -5.301
  339   3HD1  ILE  42          3HD1      ILE  42  -4.462  -7.003  -4.127
  340    H    ILE  43           H        ILE  43  -1.256  -1.550  -2.281
  341    HA   ILE  43           HA       ILE  43  -3.488   0.295  -2.745
  342    HB   ILE  43           HB       ILE  43  -0.796   1.392  -2.214
  343   1HG1  ILE  43          2HG1      ILE  43  -2.380   0.149   0.048
  344   2HG1  ILE  43          1HG1      ILE  43  -0.904  -0.539  -0.622
  345   1HG2  ILE  43          1HG2      ILE  43  -2.082   3.007  -0.950
  346   2HG2  ILE  43          2HG2      ILE  43  -3.521   1.994  -1.076
  347   3HG2  ILE  43          3HG2      ILE  43  -2.841   2.740  -2.527
  348   1HD1  ILE  43          1HD1      ILE  43   0.269   1.564  -0.004
  349   2HD1  ILE  43          2HD1      ILE  43  -0.339   0.629   1.366
  350   3HD1  ILE  43          3HD1      ILE  43  -1.203   2.072   0.831
  351    H    THR  44           H        THR  44  -2.965   2.076  -4.165
  352    HA   THR  44           HA       THR  44  -1.094   1.297  -6.245
  353    HB   THR  44           HB       THR  44  -3.052   0.311  -7.046
  354    HG1  THR  44           1HG      THR  44  -2.458   2.825  -8.134
  355   1HG2  THR  44          1HG2      THR  44  -4.532   2.845  -6.341
  356   2HG2  THR  44          2HG2      THR  44  -4.688   1.280  -5.542
  357   3HG2  THR  44          3HG2      THR  44  -5.227   1.478  -7.211
  358    H    LEU  45           H        LEU  45   0.197   3.091  -5.638
  359    HA   LEU  45           HA       LEU  45  -1.125   5.668  -5.561
  360   1HB   LEU  45          2HB       LEU  45   0.495   6.297  -4.152
  361   2HB   LEU  45          1HB       LEU  45   0.996   4.621  -4.123
  362    HG   LEU  45           HG       LEU  45   2.466   5.283  -6.157
  363   1HD1  LEU  45          1HD1      LEU  45   1.993   7.979  -4.886
  364   2HD1  LEU  45          2HD1      LEU  45   1.559   7.499  -6.527
  365   3HD1  LEU  45          3HD1      LEU  45   3.256   7.615  -6.061
  366   1HD2  LEU  45          1HD2      LEU  45   4.282   5.935  -4.648
  367   2HD2  LEU  45          2HD2      LEU  45   3.343   4.589  -4.002
  368   3HD2  LEU  45          3HD2      LEU  45   3.106   6.217  -3.362
  369    H    LYS  46           H        LYS  46  -1.520   6.495  -7.462
  370    HA   LYS  46           HA       LYS  46   0.360   5.828  -9.598
  371   1HB   LYS  46          2HB       LYS  46  -2.547   6.565  -9.776
  372   2HB   LYS  46          1HB       LYS  46  -1.500   6.438 -11.181
  373   1HG   LYS  46          2HG       LYS  46  -2.112   4.212  -9.248
  374   2HG   LYS  46          1HG       LYS  46  -2.842   4.424 -10.839
  375   1HD   LYS  46          2HD       LYS  46   0.108   4.059 -10.346
  376   2HD   LYS  46          1HD       LYS  46  -1.000   2.758 -10.779
  377   1HE   LYS  46          2HE       LYS  46  -1.496   3.814 -12.881
  378   2HE   LYS  46          1HE       LYS  46  -0.535   5.226 -12.437
  379   1HZ   LYS  46          1HZ       LYS  46   0.692   3.771 -13.909
  380   2HZ   LYS  46          2HZ       LYS  46   0.508   2.472 -12.835
  381   3HZ   LYS  46          3HZ       LYS  46   1.431   3.821 -12.386
  382    H    GLU  47           H        GLU  47  -0.480   7.755 -11.475
  383    HA   GLU  47           HA       GLU  47  -0.038   9.869 -12.169
  384   1HB   GLU  47          2HB       GLU  47  -1.363  10.681 -10.249
  385   2HB   GLU  47          1HB       GLU  47   0.066  10.593  -9.230
  386   1HG   GLU  47          2HG       GLU  47  -0.288  12.863  -9.872
  387   2HG   GLU  47          1HG       GLU  47   1.156  12.265 -10.687
  388    H    ASN  48           H        ASN  48   1.869   9.033  -9.301
  389    HA   ASN  48           HA       ASN  48   4.278   9.993 -10.671
  390   1HB   ASN  48          2HB       ASN  48   3.913   9.232  -7.766
  391   2HB   ASN  48          1HB       ASN  48   5.334   9.987  -8.476
  392   1HD2  ASN  48          1HD2      ASN  48   2.099  10.457  -7.353
  393   2HD2  ASN  48          2HD2      ASN  48   2.099  12.188  -7.423
  394    H    LYS  49           H        LYS  49   2.783   7.146  -9.269
  395    HA   LYS  49           HA       LYS  49   4.991   5.520 -10.284
  396   1HB   LYS  49          2HB       LYS  49   3.860   5.377  -7.502
  397   2HB   LYS  49          1HB       LYS  49   4.906   4.146  -8.196
  398   1HG   LYS  49          2HG       LYS  49   6.619   5.892  -8.551
  399   2HG   LYS  49          1HG       LYS  49   5.590   7.030  -7.690
  400   1HD   LYS  49          2HD       LYS  49   5.717   5.663  -5.687
  401   2HD   LYS  49          1HD       LYS  49   6.688   4.463  -6.546
  402   1HE   LYS  49          2HE       LYS  49   8.444   6.112  -6.894
  403   2HE   LYS  49          1HE       LYS  49   7.472   7.340  -6.090
  404   1HZ   LYS  49          1HZ       LYS  49   9.175   6.405  -4.643
  405   2HZ   LYS  49          2HZ       LYS  49   8.493   4.861  -4.811
  406   3HZ   LYS  49          3HZ       LYS  49   7.623   6.098  -4.043
  407    H    GLY  50           H        GLY  50   3.512   3.306  -8.629
  408   1HA   GLY  50          2HA       GLY  50   1.380   2.850 -10.598
  409   2HA   GLY  50          1HA       GLY  50   2.646   1.646 -10.392
  410    H    GLN  51           H        GLN  51   2.992   1.080  -7.943
  411    HA   GLN  51           HA       GLN  51   0.394   0.892  -6.617
  412   1HB   GLN  51          2HB       GLN  51   0.714  -1.523  -6.201
  413   2HB   GLN  51          1HB       GLN  51   0.448  -1.152  -7.901
  414   1HG   GLN  51          2HG       GLN  51   2.660  -1.600  -8.465
  415   2HG   GLN  51          1HG       GLN  51   3.217  -1.423  -6.804
  416   1HE2  GLN  51          1HE2      GLN  51   1.693  -3.530  -9.110
  417   2HE2  GLN  51          2HE2      GLN  51   1.803  -4.971  -8.163
  418    H    ARG  52           H        ARG  52   0.459   0.154  -4.487
  419    HA   ARG  52           HA       ARG  52   3.099   0.301  -3.227
  420   1HB   ARG  52          2HB       ARG  52   0.499   1.266  -2.030
  421   2HB   ARG  52          1HB       ARG  52   2.067   1.285  -1.247
  422   1HG   ARG  52          2HG       ARG  52   2.793   2.859  -3.105
  423   2HG   ARG  52          1HG       ARG  52   1.086   2.958  -3.499
  424   1HD   ARG  52          2HD       ARG  52   1.927   4.768  -1.976
  425   2HD   ARG  52          1HD       ARG  52   0.530   3.866  -1.392
  426    HE   ARG  52           HE       ARG  52   3.193   3.029  -0.509
  427   1HH1  ARG  52          1HH1      ARG  52   0.127   4.576   0.223
  428   2HH1  ARG  52          2HH1      ARG  52   0.368   4.496   1.947
  429   1HH2  ARG  52          1HH2      ARG  52   3.480   2.884   1.744
  430   2HH2  ARG  52          2HH2      ARG  52   2.264   3.507   2.823
  431    H    CYS  53           H        CYS  53   3.365  -1.913  -3.070
  432    HA   CYS  53           HA       CYS  53   1.338  -3.253  -1.435
  433   1HB   CYS  53          2HB       CYS  53   2.030  -4.447  -3.504
  434   2HB   CYS  53          1HB       CYS  53   3.682  -4.497  -2.891
  435    H    LEU  54           H        LEU  54   1.707  -3.276   0.664
  436    HA   LEU  54           HA       LEU  54   4.496  -3.288   1.575
  437   1HB   LEU  54          2HB       LEU  54   3.620  -0.978   1.647
  438   2HB   LEU  54          1HB       LEU  54   2.303  -1.519   2.671
  439    HG   LEU  54           HG       LEU  54   3.978  -2.169   4.400
  440   1HD1  LEU  54          1HD1      LEU  54   5.909  -0.743   2.573
  441   2HD1  LEU  54          2HD1      LEU  54   5.894  -2.473   2.913
  442   3HD1  LEU  54          3HD1      LEU  54   6.257  -1.324   4.201
  443   1HD2  LEU  54          1HD2      LEU  54   2.797  -0.029   4.497
  444   2HD2  LEU  54          2HD2      LEU  54   4.060   0.715   3.517
  445   3HD2  LEU  54          3HD2      LEU  54   4.437   0.112   5.129
  446    H    ASN  55           H        ASN  55   4.894  -4.515   3.327
  447    HA   ASN  55           HA       ASN  55   2.672  -6.002   4.509
  448   1HB   ASN  55          2HB       ASN  55   4.623  -7.300   3.780
  449   2HB   ASN  55          1HB       ASN  55   5.667  -6.332   4.816
  450   1HD2  ASN  55          1HD2      ASN  55   2.446  -7.570   5.585
  451   2HD2  ASN  55          2HD2      ASN  55   2.970  -8.591   6.876
  452    HA   PRO  56           HA       PRO  56   3.325  -2.955   7.782
  453   1HB   PRO  56          2HB       PRO  56   0.721  -2.357   8.133
  454   2HB   PRO  56          1HB       PRO  56   1.667  -1.724   6.784
  455   1HG   PRO  56          2HG       PRO  56  -0.491  -3.696   6.761
  456   2HG   PRO  56          1HG       PRO  56   0.221  -2.804   5.409
  457   1HD   PRO  56          2HD       PRO  56   0.775  -5.521   6.319
  458   2HD   PRO  56          1HD       PRO  56   1.262  -4.725   4.810
  459    H    LYS  57           H        LYS  57   3.671  -3.498   9.824
  460    HA   LYS  57           HA       LYS  57   2.288  -5.706  11.075
  461   1HB   LYS  57          2HB       LYS  57   4.303  -3.741  12.190
  462   2HB   LYS  57          1HB       LYS  57   3.730  -5.183  13.012
  463   1HG   LYS  57          2HG       LYS  57   5.143  -5.266  10.360
  464   2HG   LYS  57          1HG       LYS  57   5.979  -5.375  11.911
  465   1HD   LYS  57          2HD       LYS  57   3.778  -7.241  11.020
  466   2HD   LYS  57          1HD       LYS  57   5.502  -7.587  10.870
  467   1HE   LYS  57          2HE       LYS  57   3.997  -7.087  13.437
  468   2HE   LYS  57          1HE       LYS  57   4.581  -8.647  12.863
  469   1HZ   LYS  57          1HZ       LYS  57   6.854  -7.757  12.980
  470   2HZ   LYS  57          2HZ       LYS  57   6.087  -7.765  14.492
  471   3HZ   LYS  57          3HZ       LYS  57   6.247  -6.314  13.637
  472    H    SER  58           H        SER  58   2.185  -2.244  11.048
  473    HA   SER  58           HA       SER  58   0.187  -2.168  13.187
  474   1HB   SER  58          2HB       SER  58   0.449   0.356  12.816
  475   2HB   SER  58          1HB       SER  58   1.852  -0.500  13.459
  476    HG   SER  58           HG       SER  58   1.961   1.046  11.473
  477    H    LYS  59           H        LYS  59   0.097  -2.889  10.092
  478    HA   LYS  59           HA       LYS  59  -1.448  -2.910   8.442
  479   1HB   LYS  59          2HB       LYS  59  -3.084  -3.207  10.314
  480   2HB   LYS  59          1HB       LYS  59  -3.304  -1.462  10.340
  481   1HG   LYS  59          2HG       LYS  59  -4.094  -1.547   8.010
  482   2HG   LYS  59          1HG       LYS  59  -3.931  -3.305   8.037
  483   1HD   LYS  59          2HD       LYS  59  -5.546  -3.420   9.879
  484   2HD   LYS  59          1HD       LYS  59  -5.715  -1.664   9.840
  485   1HE   LYS  59          2HE       LYS  59  -7.567  -2.585   8.656
  486   2HE   LYS  59          1HE       LYS  59  -6.479  -1.874   7.466
  487   1HZ   LYS  59          1HZ       LYS  59  -5.642  -4.058   6.939
  488   2HZ   LYS  59          2HZ       LYS  59  -7.326  -4.059   6.791
  489   3HZ   LYS  59          3HZ       LYS  59  -6.595  -4.767   8.148
  490    H    GLN  60           H        GLN  60  -2.206   0.175  10.046
  491    HA   GLN  60           HA       GLN  60  -1.971   2.338   9.457
  492   1HB   GLN  60          2HB       GLN  60   0.383   1.626   8.983
  493   2HB   GLN  60          1HB       GLN  60  -0.086   1.379   7.310
  494   1HG   GLN  60          2HG       GLN  60   1.067   3.520   7.710
  495   2HG   GLN  60          1HG       GLN  60  -0.548   3.710   7.029
  496   1HE2  GLN  60          1HE2      GLN  60  -2.143   4.668   8.244
  497   2HE2  GLN  60          2HE2      GLN  60  -1.825   5.478   9.739
  498    H    ALA  61           H        ALA  61  -2.423   0.159   6.718
  499    HA   ALA  61           HA       ALA  61  -3.797   1.999   5.075
  500   1HB   ALA  61          1HB       ALA  61  -4.624   0.026   3.894
  501   2HB   ALA  61          2HB       ALA  61  -4.056  -1.005   5.208
  502   3HB   ALA  61          3HB       ALA  61  -2.899  -0.107   4.224
  503    H    ARG  62           H        ARG  62  -4.507   0.851   8.052
  504    HA   ARG  62           HA       ARG  62  -7.288   0.511   8.061
  505   1HB   ARG  62          2HB       ARG  62  -5.808  -0.064   9.951
  506   2HB   ARG  62          1HB       ARG  62  -5.449   1.639  10.189
  507   1HG   ARG  62          2HG       ARG  62  -7.729   2.079  10.832
  508   2HG   ARG  62          1HG       ARG  62  -8.194   0.421  10.452
  509   1HD   ARG  62          2HD       ARG  62  -7.924   0.665  12.840
  510   2HD   ARG  62          1HD       ARG  62  -6.655  -0.381  12.206
  511    HE   ARG  62           HE       ARG  62  -5.483   2.055  12.221
  512   1HH1  ARG  62          1HH1      ARG  62  -7.177   0.201  14.656
  513   2HH1  ARG  62          2HH1      ARG  62  -6.313   0.911  15.986
  514   1HH2  ARG  62          1HH2      ARG  62  -4.338   2.994  13.972
  515   2HH2  ARG  62          2HH2      ARG  62  -4.702   2.490  15.596
  516    H    LEU  63           H        LEU  63  -5.209   3.342   8.246
  517    HA   LEU  63           HA       LEU  63  -7.399   5.179   8.561
  518   1HB   LEU  63          2HB       LEU  63  -4.471   5.595   7.990
  519   2HB   LEU  63          1HB       LEU  63  -5.618   6.911   8.186
  520    HG   LEU  63           HG       LEU  63  -4.845   4.883  10.287
  521   1HD1  LEU  63          1HD1      LEU  63  -3.121   6.538   9.876
  522   2HD1  LEU  63          2HD1      LEU  63  -3.896   6.830  11.433
  523   3HD1  LEU  63          3HD1      LEU  63  -4.302   7.836  10.042
  524   1HD2  LEU  63          1HD2      LEU  63  -6.741   7.224  10.481
  525   2HD2  LEU  63          2HD2      LEU  63  -6.246   6.170  11.807
  526   3HD2  LEU  63          3HD2      LEU  63  -7.206   5.522  10.477
  527    H    ILE  64           H        ILE  64  -5.809   3.646   5.986
  528    HA   ILE  64           HA       ILE  64  -6.801   5.560   4.049
  529    HB   ILE  64           HB       ILE  64  -5.325   2.958   3.552
  530   1HG1  ILE  64          2HG1      ILE  64  -4.324   5.809   3.757
  531   2HG1  ILE  64          1HG1      ILE  64  -3.895   4.457   4.799
  532   1HG2  ILE  64          1HG2      ILE  64  -5.832   5.294   1.704
  533   2HG2  ILE  64          2HG2      ILE  64  -6.635   3.725   1.624
  534   3HG2  ILE  64          3HG2      ILE  64  -4.901   3.846   1.317
  535   1HD1  ILE  64          1HD1      ILE  64  -2.105   4.970   3.246
  536   2HD1  ILE  64          2HD1      ILE  64  -3.200   4.730   1.883
  537   3HD1  ILE  64          3HD1      ILE  64  -2.773   3.370   2.923
  538    H    ILE  65           H        ILE  65  -7.943   2.927   5.725
  539    HA   ILE  65           HA       ILE  65  -9.439   1.578   3.756
  540    HB   ILE  65           HB       ILE  65  -9.076   1.353   6.571
  541   1HG1  ILE  65          2HG1      ILE  65  -8.756  -0.444   4.960
  542   2HG1  ILE  65          1HG1      ILE  65  -9.928  -0.928   6.181
  543   1HG2  ILE  65          1HG2      ILE  65 -11.314   0.761   7.337
  544   2HG2  ILE  65          2HG2      ILE  65 -11.986   1.261   5.784
  545   3HG2  ILE  65          3HG2      ILE  65 -11.242   2.457   6.844
  546   1HD1  ILE  65          1HD1      ILE  65 -10.613  -1.646   3.962
  547   2HD1  ILE  65          2HD1      ILE  65 -10.571   0.025   3.396
  548   3HD1  ILE  65          3HD1      ILE  65 -11.744  -0.461   4.618
  549    H    LYS  66           H        LYS  66 -10.145   4.319   5.851
  550    HA   LYS  66           HA       LYS  66 -12.816   4.566   4.813
  551   1HB   LYS  66          2HB       LYS  66 -11.173   6.387   6.578
  552   2HB   LYS  66          1HB       LYS  66 -12.849   6.686   6.139
  553   1HG   LYS  66          2HG       LYS  66 -13.548   4.678   7.274
  554   2HG   LYS  66          1HG       LYS  66 -11.870   4.262   7.629
  555   1HD   LYS  66          2HD       LYS  66 -11.641   6.207   9.032
  556   2HD   LYS  66          1HD       LYS  66 -13.260   6.757   8.595
  557   1HE   LYS  66          2HE       LYS  66 -12.663   4.157  10.000
  558   2HE   LYS  66          1HE       LYS  66 -13.125   5.647  10.820
  559   1HZ   LYS  66          1HZ       LYS  66 -15.013   4.160  10.461
  560   2HZ   LYS  66          2HZ       LYS  66 -14.777   4.240   8.785
  561   3HZ   LYS  66          3HZ       LYS  66 -15.217   5.631   9.645
  562    H    LYS  67           H        LYS  67  -9.890   5.115   3.555
  563    HA   LYS  67           HA       LYS  67 -10.623   7.545   2.108
  564   1HB   LYS  67          2HB       LYS  67  -8.071   5.931   1.933
  565   2HB   LYS  67          1HB       LYS  67  -8.365   7.485   1.169
  566   1HG   LYS  67          2HG       LYS  67  -8.260   6.976   4.133
  567   2HG   LYS  67          1HG       LYS  67  -6.980   7.701   3.162
  568   1HD   LYS  67          2HD       LYS  67  -8.431   9.577   2.616
  569   2HD   LYS  67          1HD       LYS  67  -9.754   8.837   3.521
  570   1HE   LYS  67          2HE       LYS  67  -8.692  10.559   4.857
  571   2HE   LYS  67          1HE       LYS  67  -8.404   8.973   5.571
  572   1HZ   LYS  67          1HZ       LYS  67  -6.374  10.172   5.637
  573   2HZ   LYS  67          2HZ       LYS  67  -6.494  10.621   4.008
  574   3HZ   LYS  67          3HZ       LYS  67  -6.203   9.006   4.420
  575    H    VAL  68           H        VAL  68  -9.634   4.200   1.570
  576    HA   VAL  68           HA       VAL  68 -10.315   4.090  -1.166
  577    HB   VAL  68           HB       VAL  68 -10.371   1.746   0.744
  578   1HG1  VAL  68          1HG1      VAL  68 -11.311   1.327  -1.449
  579   2HG1  VAL  68          2HG1      VAL  68  -9.784   0.468  -1.248
  580   3HG1  VAL  68          3HG1      VAL  68  -9.847   1.944  -2.212
  581   1HG2  VAL  68          1HG2      VAL  68  -8.002   2.907  -0.710
  582   2HG2  VAL  68          2HG2      VAL  68  -8.020   1.398   0.204
  583   3HG2  VAL  68          3HG2      VAL  68  -8.269   2.934   1.035
  584    H    GLU  69           H        GLU  69 -12.114   3.749   1.809
  585    HA   GLU  69           HA       GLU  69 -14.377   2.452   0.688
  586   1HB   GLU  69          2HB       GLU  69 -13.709   2.600   3.157
  587   2HB   GLU  69          1HB       GLU  69 -14.450   4.196   3.138
  588   1HG   GLU  69          2HG       GLU  69 -16.560   3.164   2.371
  589   2HG   GLU  69          1HG       GLU  69 -15.792   1.587   2.525
  590    H    ARG  70           H        ARG  70 -13.247   5.625   0.436
  591    HA   ARG  70           HA       ARG  70 -15.749   6.971   0.156
  592   1HB   ARG  70          2HB       ARG  70 -12.961   7.680  -0.763
  593   2HB   ARG  70          1HB       ARG  70 -14.334   8.761  -0.910
  594   1HG   ARG  70          2HG       ARG  70 -14.591   8.746   1.527
  595   2HG   ARG  70          1HG       ARG  70 -13.177   7.695   1.652
  596   1HD   ARG  70          2HD       ARG  70 -12.439   9.921   2.054
  597   2HD   ARG  70          1HD       ARG  70 -11.881   9.456   0.445
  598    HE   ARG  70           HE       ARG  70 -14.363  10.758   0.215
  599   1HH1  ARG  70          1HH1      ARG  70 -11.012  11.445   0.974
  600   2HH1  ARG  70          2HH1      ARG  70 -11.083  13.091   0.424
  601   1HH2  ARG  70          1HH2      ARG  70 -14.476  12.952  -0.465
  602   2HH2  ARG  70          2HH2      ARG  70 -13.048  13.943  -0.386
  603    H    LYS  71           H        LYS  71 -14.099   4.746  -1.745
  604    HA   LYS  71           HA       LYS  71 -15.626   5.558  -4.128
  605   1HB   LYS  71          2HB       LYS  71 -13.119   6.007  -4.245
  606   2HB   LYS  71          1HB       LYS  71 -12.900   4.265  -4.198
  607   1HG   LYS  71          2HG       LYS  71 -12.768   4.951  -6.461
  608   2HG   LYS  71          1HG       LYS  71 -14.306   4.109  -6.255
  609   1HD   LYS  71          2HD       LYS  71 -15.506   6.177  -6.197
  610   2HD   LYS  71          1HD       LYS  71 -14.006   7.105  -6.137
  611   1HE   LYS  71          2HE       LYS  71 -14.889   5.363  -8.436
  612   2HE   LYS  71          1HE       LYS  71 -15.034   7.118  -8.374
  613   1HZ   LYS  71          1HZ       LYS  71 -13.082   6.376  -9.621
  614   2HZ   LYS  71          2HZ       LYS  71 -12.468   5.621  -8.232
  615   3HZ   LYS  71          3HZ       LYS  71 -12.649   7.305  -8.273
  616    H    ASN  72           H        ASN  72 -16.829   3.957  -5.004
  617    HA   ASN  72           HA       ASN  72 -16.718   1.315  -3.822
  618   1HB   ASN  72          2HB       ASN  72 -18.553   2.588  -5.850
  619   2HB   ASN  72          1HB       ASN  72 -18.653   0.882  -5.431
  620   1HD2  ASN  72          1HD2      ASN  72 -17.964   1.281  -2.654
  621   2HD2  ASN  72          2HD2      ASN  72 -19.345   2.005  -1.902
  622    H    PHE  73           H        PHE  73 -14.881   2.736  -5.998
  623    HA   PHE  73           HA       PHE  73 -14.563   0.312  -7.633
  624   1HB   PHE  73          2HB       PHE  73 -13.826   3.164  -8.355
  625   2HB   PHE  73          1HB       PHE  73 -13.571   1.749  -9.370
  626    HD1  PHE  73           1HD      PHE  73 -15.489   0.589 -10.381
  627    HD2  PHE  73           2HD      PHE  73 -15.968   4.198  -8.183
  628    HE1  PHE  73           1HE      PHE  73 -17.722   0.889 -11.368
  629    HE2  PHE  73           2HE      PHE  73 -18.202   4.508  -9.168
  630    HZ   PHE  73           HZ       PHE  73 -19.081   2.850 -10.765