*HEADER    GENE REGULATION                         28-MAY-99   1COK              
*TITLE     STRUCTURE OF THE C-TERMINAL DOMAIN OF P73                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SECOND SPLICE VARIANT P73;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 BIOLOGICAL_UNIT: MONOMER                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 VARIANT: P73ALPHA;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    P73 SAM-LIKE DOMAIN, GENE REGULATION                                  
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    S.-W.CHI, A.AYED, C.H.ARROWSMITH                                      
*REVDAT   1   17-AUG-99 1COK    0                                                
#
# Unambiguous distance restraints
#  
ASSI {   68}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
      2.400     2.400     2.100 peak    68 weight   .10000E+01 volume   .23810E+00 ppm1      1.992 ppm2       .927
 ASSI {  493}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 62   and name HG  ))
      1.800      .400      .400 peak   493 weight   .10000E+01 volume   .16985E+01 ppm1       .538 ppm2      1.742
 ASSI {  666}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
      2.800     1.000     1.000 peak   666 weight   .10000E+01 volume   .99950E-01 ppm1      1.854 ppm2      1.508
 ASSI {  667}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG1 ))
      2.900     1.100     1.100 peak   667 weight   .10000E+01 volume   .78800E-01 ppm1      1.857 ppm2      1.384
 ASSI {  669}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HG1 ))
      2.800     1.000     1.000 peak   669 weight   .10000E+01 volume   .10488E+00 ppm1      1.790 ppm2      1.383
 ASSI {  671}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HG2 ))
      2.300      .700      .700 peak   671 weight   .10000E+01 volume   .33643E+00 ppm1      1.615 ppm2      1.508
 OR {  671}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI {  672}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HG1 ))
      2.300      .700      .700 peak   672 weight   .10000E+01 volume   .32858E+00 ppm1      1.617 ppm2      1.377
 OR {  672}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HG1 ))
 ASSI {  681}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HG1 ))
      1.700      .400      .500 peak   681 weight   .10000E+01 volume   .22390E+01 ppm1      1.510 ppm2      1.380
 ASSI {  697}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 7    and name HD1%)
      2.700      .900      .900 peak   697 weight   .10000E+01 volume   .12929E+00 ppm1       .774 ppm2       .567
 OR {  697}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 7    and name HD2%)
 ASSI {  716}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 34   and name HD2%)
      1.900      .500      .500 peak   716 weight   .10000E+01 volume   .10948E+01 ppm1       .582 ppm2       .433
 ASSI {  717}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 34   and name HD1%)
      1.800      .400      .400 peak   717 weight   .10000E+01 volume   .15412E+01 ppm1       .582 ppm2       .167
 ASSI {  837}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.800     1.000     1.000 peak   837 weight   .10000E+01 volume   .10455E+00 ppm1      2.257 ppm2      1.306
 OR {  837}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  845}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.700      .900      .900 peak   845 weight   .10000E+01 volume   .13650E+00 ppm1      1.900 ppm2      1.300
 ASSI {  850}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.500      .800      .800 peak   850 weight   .10000E+01 volume   .19131E+00 ppm1      1.724 ppm2      1.307
 OR {  850}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  852}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
      2.500      .800      .800 peak   852 weight   .10000E+01 volume   .18602E+00 ppm1      1.556 ppm2       .434
 ASSI {  853}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      2.600      .800      .800 peak   853 weight   .10000E+01 volume   .16218E+00 ppm1      1.554 ppm2       .173
 ASSI {  857}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      2.900     1.100     1.100 peak   857 weight   .10000E+01 volume   .86230E-01 ppm1      1.374 ppm2       .438
 ASSI {  880}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
      2.600      .800      .800 peak   880 weight   .10000E+01 volume   .17127E+00 ppm1       .759 ppm2       .437
 ASSI {  898}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 28   and name HD2%)
      2.100      .600      .600 peak   898 weight   .10000E+01 volume   .63618E+00 ppm1       .173 ppm2       .929
 ASSI { 1004}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 28   and name HD2%)
      2.000      .500      .500 peak  1004 weight   .10000E+01 volume   .70723E+00 ppm1       .432 ppm2       .928
 OR { 1004}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1008}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 34   and name HD1%)
      1.600      .300      .600 peak  1008 weight   .10000E+01 volume   .25024E+01 ppm1       .432 ppm2       .168
 ASSI { 1116}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 28   and name HD2%)
      2.400     2.400     2.100 peak  1116 weight   .10000E+01 volume   .25130E+00 ppm1      1.635 ppm2       .919
 ASSI { 1250}
   (( segid "    " and resid 31   and name HG12))
   (  segid "    " and resid 28   and name HD2%)
      1.800     1.800     2.700 peak  1250 weight   .10000E+01 volume   .12658E+01 ppm1       .830 ppm2       .923
 OR { 1250}
   (( segid "    " and resid 31   and name HG11))
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1401}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      2.900     2.900     1.600 peak  1401 weight   .10000E+01 volume   .86690E-01 ppm1      4.763 ppm2      1.090
 ASSI { 1426}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 42   and name HD2%)
      2.700      .900      .900 peak  1426 weight   .10000E+01 volume   .13040E+00 ppm1      2.156 ppm2      1.091
 OR { 1426}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name HD2%)
 OR { 1426}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1433}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 42   and name HD2%)
      2.800     1.000     1.000 peak  1433 weight   .10000E+01 volume   .10154E+00 ppm1      1.284 ppm2      1.093
 OR { 1433}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 1435}
   (( segid "    " and resid 42   and name HG  ))
   (  segid "    " and resid 42   and name HD2%)
      2.500      .800      .800 peak  1435 weight   .10000E+01 volume   .20582E+00 ppm1      1.222 ppm2      1.091
 OR { 1435}
   (( segid "    " and resid 42   and name HG  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1523}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      2.500     2.500     2.000 peak  1523 weight   .10000E+01 volume   .19342E+00 ppm1      4.840 ppm2      1.067
 ASSI { 1524}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      2.600     2.600     1.900 peak  1524 weight   .10000E+01 volume   .15631E+00 ppm1      4.834 ppm2       .461
 ASSI { 1527}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      2.600     2.600     1.900 peak  1527 weight   .10000E+01 volume   .15526E+00 ppm1      4.732 ppm2       .457
 ASSI { 1541}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      2.800     1.000     1.000 peak  1541 weight   .10000E+01 volume   .94460E-01 ppm1      1.991 ppm2       .472
 ASSI { 1545}
   (( segid "    " and resid 31   and name HG12))
   (  segid "    " and resid 59   and name HD2%)
      2.800     1.000     1.000 peak  1545 weight   .10000E+01 volume   .11252E+00 ppm1       .783 ppm2       .454
 OR { 1545}
   (( segid "    " and resid 31   and name HG11))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 1563}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 42   and name HD1%)
      2.100      .600      .600 peak  1563 weight   .10000E+01 volume   .57636E+00 ppm1       .465 ppm2      1.070
 OR { 1563}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 1735}
   (( segid "    " and resid 58   and name HA2 ))
   (( segid "    " and resid 58   and name HA1 ))
      1.900      .500      .500 peak  1735 weight   .10000E+01 volume   .98554E+00 ppm1      4.093 ppm2      3.755
 ASSI { 1809}
   (( segid "    " and resid 62   and name HG  ))
   (  segid "    " and resid 62   and name HD2%)
      2.100      .600      .600 peak  1809 weight   .10000E+01 volume   .54951E+00 ppm1      1.746 ppm2       .636
 ASSI { 1810}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 62   and name HD2%)
      2.800     1.000     1.000 peak  1810 weight   .10000E+01 volume   .11195E+00 ppm1      1.574 ppm2       .634
 ASSI { 1811}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 62   and name HD2%)
      2.800     2.800     1.700 peak  1811 weight   .10000E+01 volume   .11478E+00 ppm1      1.238 ppm2       .636
 ASSI { 1820}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 62   and name HD2%)
      2.800     1.000     1.000 peak  1820 weight   .10000E+01 volume   .10649E+00 ppm1       .902 ppm2       .639
 ASSI { 1837}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 62   and name HD1%)
      1.600      .300      .600 peak  1837 weight   .10000E+01 volume   .32131E+01 ppm1       .637 ppm2       .516
 ASSI { 1930}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.900     1.100     1.100 peak  1930 weight   .10000E+01 volume   .89980E-01 ppm1      4.236 ppm2      1.298
 ASSI { 1934}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 11   and name HD1%)
      2.900     1.100     1.100 peak  1934 weight   .10000E+01 volume   .92470E-01 ppm1      1.867 ppm2       .722
 ASSI { 1960}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 11   and name HD1%)
      2.800     1.000     1.000 peak  1960 weight   .10000E+01 volume   .11343E+00 ppm1      1.041 ppm2       .713
 ASSI { 1980}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 11   and name HD2%)
      1.800      .400      .400 peak  1980 weight   .10000E+01 volume   .16264E+01 ppm1       .726 ppm2       .881
 ASSI { 2129}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HA1 ))
      1.800      .400      .400 peak  2129 weight   .10000E+01 volume   .14787E+01 ppm1      3.991 ppm2      3.879
 ASSI { 2176}
   (( segid "    " and resid 54   and name HB  ))
   (  segid "    " and resid 54   and name HG2%)
      2.500      .800      .800 peak  2176 weight   .10000E+01 volume   .19308E+00 ppm1      4.321 ppm2      1.355
 ASSI { 2195}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HG2%)
      2.600     2.600     1.900 peak  2195 weight   .10000E+01 volume   .16838E+00 ppm1      1.553 ppm2      1.354
 ASSI { 2251}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 37   and name HD1%)
      2.300     2.300     2.200 peak  2251 weight   .10000E+01 volume   .31748E+00 ppm1      4.865 ppm2       .977
 OR { 2251}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 37   and name HD2%)
 ASSI { 2270}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HD1%)
      2.500      .800      .800 peak  2270 weight   .10000E+01 volume   .22865E+00 ppm1      4.724 ppm2       .981
 ASSI { 2297}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD2%)
      2.600      .800      .800 peak  2297 weight   .10000E+01 volume   .18169E+00 ppm1      2.017 ppm2       .959
 OR { 2297}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD1%)
 ASSI { 2300}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 37   and name HD2%)
      2.900     1.100     1.100 peak  2300 weight   .10000E+01 volume   .90720E-01 ppm1      1.583 ppm2       .980
 OR { 2300}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 37   and name HD1%)
 ASSI { 2356}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 54   and name HG2%)
      1.600      .300      .600 peak  2356 weight   .10000E+01 volume   .30620E+01 ppm1       .646 ppm2      1.364
 ASSI { 2408}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 43   and name HA1 ))
      1.900      .500      .500 peak  2408 weight   .10000E+01 volume   .93877E+00 ppm1      3.936 ppm2      3.729
 ASSI { 2463}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 37   and name HD1%)
      2.900     1.100     1.100 peak  2463 weight   .10000E+01 volume   .80670E-01 ppm1      2.174 ppm2       .965
 OR { 2463}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 37   and name HD1%)
 OR { 2463}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 37   and name HD2%)
 OR { 2463}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 37   and name HD2%)
 ASSI { 2465}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.100     1.100 peak  2465 weight   .10000E+01 volume   .91190E-01 ppm1      1.576 ppm2       .638
 ASSI { 2469}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      2.900     2.900     1.600 peak  2469 weight   .10000E+01 volume   .87980E-01 ppm1      1.049 ppm2       .639
 ASSI { 2716}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.500      .800      .800 peak  2716 weight   .10000E+01 volume   .18847E+00 ppm1      4.836 ppm2      1.416
 ASSI { 2736}
   (( segid "    " and resid 40   and name HG2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.700      .900      .900 peak  2736 weight   .10000E+01 volume   .13549E+00 ppm1      2.340 ppm2      1.410
 ASSI { 2763}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.700     2.700     1.800 peak  2763 weight   .10000E+01 volume   .11634E+00 ppm1      1.093 ppm2      1.408
 OR { 2763}
   (  segid "    " and resid 42   and name HD2%)
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 3007}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 27   and name HA1 ))
      2.100      .600      .600 peak  3007 weight   .10000E+01 volume   .61519E+00 ppm1      3.956 ppm2      3.279
 ASSI { 3195}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      2.600      .800      .800 peak  3195 weight   .10000E+01 volume   .15039E+00 ppm1      4.261 ppm2      1.218
 ASSI { 3204}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 12   and name HG2%)
      2.800     1.000     1.000 peak  3204 weight   .10000E+01 volume   .10929E+00 ppm1      2.147 ppm2      1.218
 OR { 3204}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI { 3277}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 15   and name HA1 ))
      1.800      .400      .400 peak  3277 weight   .10000E+01 volume   .13862E+01 ppm1      4.301 ppm2      3.886
 ASSI { 3705}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      2.700      .900      .900 peak  3705 weight   .10000E+01 volume   .12137E+00 ppm1      4.403 ppm2      1.307
 ASSI { 3808}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      2.100     2.100     2.400 peak  3808 weight   .10000E+01 volume   .58015E+00 ppm1      4.262 ppm2      3.672
 ASSI { 4338}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak  4338 weight   .10000E+01 volume   .80870E-01 ppm1      4.238 ppm2      1.390
 ASSI { 4357}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HD1 ))
      1.400      .200      .800 peak  4357 weight   .10000E+01 volume   .80493E+01 ppm1      3.302 ppm2      3.262
 ASSI { 4375}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HD1 ))
      2.700      .900      .900 peak  4375 weight   .10000E+01 volume   .14179E+00 ppm1      1.976 ppm2      3.274
 ASSI { 4376}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HD1 ))
      2.600      .800      .800 peak  4376 weight   .10000E+01 volume   .15605E+00 ppm1      1.815 ppm2      3.269
 ASSI { 4383}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.000      .500      .500 peak  4383 weight   .10000E+01 volume   .81189E+00 ppm1      1.573 ppm2      1.377
 ASSI { 4440}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      1.900     1.900     2.600 peak  4440 weight   .10000E+01 volume   .91901E+00 ppm1      3.870 ppm2      4.786
 ASSI { 4441}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.800      .400      .400 peak  4441 weight   .10000E+01 volume   .14055E+01 ppm1      3.872 ppm2      3.530
 ASSI { 4451}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      1.900      .500      .500 peak  4451 weight   .10000E+01 volume   .91467E+00 ppm1      3.529 ppm2      4.784
 ASSI { 4572}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
      2.200      .600      .600 peak  4572 weight   .10000E+01 volume   .43533E+00 ppm1      1.759 ppm2      1.329
 ASSI { 4585}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.600     2.600     1.900 peak  4585 weight   .10000E+01 volume   .15361E+00 ppm1       .948 ppm2      1.295
 ASSI { 4624}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 54   and name HA  ))
      2.700      .900      .900 peak  4624 weight   .10000E+01 volume   .12029E+00 ppm1      4.321 ppm2      3.930
 ASSI { 4719}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500      .800      .800 peak  4719 weight   .10000E+01 volume   .18589E+00 ppm1      1.991 ppm2      1.387
 ASSI { 4732}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.400      .700      .700 peak  4732 weight   .10000E+01 volume   .27166E+00 ppm1      1.142 ppm2      1.997
 ASSI { 4733}
   (( segid "    " and resid 47   and name HG11))
   (( segid "    " and resid 45   and name HB1 ))
      2.700      .900      .900 peak  4733 weight   .10000E+01 volume   .13217E+00 ppm1      1.137 ppm2      1.312
 OR { 4733}
   (( segid "    " and resid 47   and name HG12))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 4827}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.200      .600      .600 peak  4827 weight   .10000E+01 volume   .49873E+00 ppm1      1.690 ppm2      1.400
 ASSI { 4936}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.600     2.600     1.900 peak  4936 weight   .10000E+01 volume   .15222E+00 ppm1      4.855 ppm2      1.565
 ASSI { 4957}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600      .800      .800 peak  4957 weight   .10000E+01 volume   .16290E+00 ppm1      4.697 ppm2      2.015
 ASSI { 4981}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HE1 ))
      2.700     2.700     1.800 peak  4981 weight   .10000E+01 volume   .13538E+00 ppm1      3.583 ppm2      3.012
 OR { 4981}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HE2 ))
 ASSI { 5017}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      2.200      .600      .600 peak  5017 weight   .10000E+01 volume   .49042E+00 ppm1      1.977 ppm2      1.594
 ASSI { 5021}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE2 ))
      1.900      .500      .500 peak  5021 weight   .10000E+01 volume   .10138E+01 ppm1      1.726 ppm2      3.014
 OR { 5021}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE1 ))
 ASSI { 5023}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600      .800      .800 peak  5023 weight   .10000E+01 volume   .15214E+00 ppm1      1.679 ppm2      1.995
 ASSI { 5071}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      2.600     2.600     1.900 peak  5071 weight   .10000E+01 volume   .16149E+00 ppm1      4.778 ppm2       .951
 ASSI { 5117}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      2.800     1.000     1.000 peak  5117 weight   .10000E+01 volume   .96410E-01 ppm1      1.304 ppm2       .955
 ASSI { 5134}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.100     2.100     2.400 peak  5134 weight   .10000E+01 volume   .66357E+00 ppm1       .954 ppm2      3.688
 ASSI { 5177}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700      .900      .900 peak  5177 weight   .10000E+01 volume   .13281E+00 ppm1      4.146 ppm2      1.746
 ASSI { 5178}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.800     1.000     1.000 peak  5178 weight   .10000E+01 volume   .96760E-01 ppm1      4.147 ppm2      1.492
 ASSI { 5179}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HE2 ))
      2.700      .900      .900 peak  5179 weight   .10000E+01 volume   .14192E+00 ppm1      4.117 ppm2      2.916
 OR { 5179}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HE1 ))
 ASSI { 5233}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
      1.800      .400      .400 peak  5233 weight   .10000E+01 volume   .16704E+01 ppm1      1.746 ppm2      1.497
 ASSI { 5236}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HE2 ))
      1.800      .400      .400 peak  5236 weight   .10000E+01 volume   .13287E+01 ppm1      1.619 ppm2      2.917
 OR { 5236}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HE2 ))
 OR { 5236}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HE1 ))
 OR { 5236}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HE1 ))
 ASSI { 5287}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.200      .600      .600 peak  5287 weight   .10000E+01 volume   .46727E+00 ppm1      4.211 ppm2      1.576
 ASSI { 5297}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.500      .800      .800 peak  5297 weight   .10000E+01 volume   .18719E+00 ppm1      1.917 ppm2       .952
 ASSI { 5305}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      2.900     1.100     1.100 peak  5305 weight   .10000E+01 volume   .88910E-01 ppm1      1.209 ppm2       .952
 ASSI { 5308}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 44   and name HB% )
      2.800     2.800     1.700 peak  5308 weight   .10000E+01 volume   .10249E+00 ppm1       .963 ppm2      1.593
 OR { 5308}
   (  segid "    " and resid 37   and name HD2%)
   (  segid "    " and resid 44   and name HB% )
 ASSI { 5369}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.800     2.800     1.700 peak  5369 weight   .10000E+01 volume   .97470E-01 ppm1       .951 ppm2      1.497
 ASSI { 5556}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 31   and name HG2%)
      2.900     1.100     1.100 peak  5556 weight   .10000E+01 volume   .85790E-01 ppm1      1.580 ppm2       .359
 ASSI { 5589}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      2.100      .600      .600 peak  5589 weight   .10000E+01 volume   .51998E+00 ppm1      3.224 ppm2      2.683
 ASSI { 5627}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      2.400     2.400     2.100 peak  5627 weight   .10000E+01 volume   .27383E+00 ppm1      4.836 ppm2       .609
 ASSI { 5629}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      2.300     2.300     2.200 peak  5629 weight   .10000E+01 volume   .32134E+00 ppm1      4.809 ppm2       .358
 ASSI { 5640}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 39   and name HG2%)
      2.600      .800      .800 peak  5640 weight   .10000E+01 volume   .16899E+00 ppm1      4.698 ppm2       .597
 ASSI { 5666}
   (( segid "    " and resid 55   and name HB  ))
   (  segid "    " and resid 55   and name HG2%)
      2.700      .900      .900 peak  5666 weight   .10000E+01 volume   .12154E+00 ppm1      1.994 ppm2      1.074
 ASSI { 5672}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 31   and name HG2%)
      2.500      .800      .800 peak  5672 weight   .10000E+01 volume   .20309E+00 ppm1      1.299 ppm2       .357
 ASSI { 5675}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 31   and name HG2%)
      2.900     2.900     1.600 peak  5675 weight   .10000E+01 volume   .78540E-01 ppm1       .737 ppm2       .360
 ASSI { 5679}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 31   and name HG2%)
      2.700      .900      .900 peak  5679 weight   .10000E+01 volume   .13327E+00 ppm1       .549 ppm2       .352
 ASSI { 5723}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700      .900      .900 peak  5723 weight   .10000E+01 volume   .12362E+00 ppm1      4.689 ppm2      3.216
 ASSI { 5785}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      2.200     2.200     2.300 peak  5785 weight   .10000E+01 volume   .46694E+00 ppm1      4.745 ppm2       .609
 ASSI { 5875}
   (( segid "    " and resid 39   and name HB  ))
   (  segid "    " and resid 39   and name HG2%)
      2.300      .700      .700 peak  5875 weight   .10000E+01 volume   .38749E+00 ppm1       .991 ppm2       .609
 ASSI { 5897}
   (( segid "    " and resid 39   and name HG12))
   (  segid "    " and resid 39   and name HG2%)
      2.400      .700      .700 peak  5897 weight   .10000E+01 volume   .23380E+00 ppm1       .773 ppm2       .608
 ASSI { 5953}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.100      .600      .600 peak  5953 weight   .10000E+01 volume   .54924E+00 ppm1      4.623 ppm2      2.651
 ASSI { 5954}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.000      .500      .500 peak  5954 weight   .10000E+01 volume   .69503E+00 ppm1      4.623 ppm2      2.495
 ASSI { 5978}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      1.300      .200      .900 peak  5978 weight   .10000E+01 volume   .89759E+01 ppm1      2.651 ppm2      2.494
 ASSI { 5992}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB1 ))
      2.100      .600      .600 peak  5992 weight   .10000E+01 volume   .59534E+00 ppm1      1.912 ppm2      1.251
 ASSI { 6111}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.100     1.100 peak  6111 weight   .10000E+01 volume   .92590E-01 ppm1      2.990 ppm2      2.655
 ASSI { 6274}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300      .700      .700 peak  6274 weight   .10000E+01 volume   .30867E+00 ppm1      1.657 ppm2      1.378
 ASSI { 6286}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.100      .600      .600 peak  6286 weight   .10000E+01 volume   .57837E+00 ppm1      1.241 ppm2      2.151
 OR { 6286}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 6386}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     2.900     1.600 peak  6386 weight   .10000E+01 volume   .87110E-01 ppm1      4.868 ppm2      3.485
 ASSI { 6399}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     2.800     1.700 peak  6399 weight   .10000E+01 volume   .10520E+00 ppm1      4.710 ppm2      3.498
 ASSI { 6541}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400      .700      .700 peak  6541 weight   .10000E+01 volume   .28011E+00 ppm1      4.458 ppm2      2.740
 OR { 6541}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 6560}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.100      .600      .600 peak  6560 weight   .10000E+01 volume   .54273E+00 ppm1      3.561 ppm2      2.462
 ASSI { 6607}
   (( segid "    " and resid 20   and name HG11))
   (( segid "    " and resid 28   and name HB2 ))
      2.200     2.200     2.300 peak  6607 weight   .10000E+01 volume   .46603E+00 ppm1      1.788 ppm2      2.058
 OR { 6607}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 6622}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.200      .600      .600 peak  6622 weight   .10000E+01 volume   .40254E+00 ppm1      1.290 ppm2      2.081
 ASSI { 6920}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400      .700      .700 peak  6920 weight   .10000E+01 volume   .29284E+00 ppm1      3.360 ppm2      2.938
 ASSI { 7139}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HD1%)
      2.900     1.100     1.100 peak  7139 weight   .10000E+01 volume   .83410E-01 ppm1      1.939 ppm2      1.023
 ASSI { 7241}
   (( segid "    " and resid 20   and name HG11))
   (  segid "    " and resid 20   and name HD1%)
      2.500      .800      .800 peak  7241 weight   .10000E+01 volume   .20857E+00 ppm1      1.755 ppm2      1.020
 OR { 7241}
   (( segid "    " and resid 20   and name HG12))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 7242}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 20   and name HD1%)
      2.900     1.100     1.100 peak  7242 weight   .10000E+01 volume   .78220E-01 ppm1      1.627 ppm2      1.025
 ASSI { 7244}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 20   and name HD1%)
      2.800     1.000     1.000 peak  7244 weight   .10000E+01 volume   .10901E+00 ppm1      1.367 ppm2      1.024
 ASSI { 7321}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.900     1.100     1.100 peak  7321 weight   .10000E+01 volume   .84640E-01 ppm1      2.036 ppm2      2.642
 ASSI { 7421}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     2.300     2.200 peak  7421 weight   .10000E+01 volume   .31689E+00 ppm1      4.695 ppm2      3.043
 ASSI { 7441}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.200     2.200     2.300 peak  7441 weight   .10000E+01 volume   .47899E+00 ppm1      4.364 ppm2      3.024
 ASSI { 7442}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.100      .600      .600 peak  7442 weight   .10000E+01 volume   .63299E+00 ppm1      4.367 ppm2      2.885
 ASSI { 7498}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB1 ))
      1.400      .200      .800 peak  7498 weight   .10000E+01 volume   .81315E+01 ppm1      3.022 ppm2      2.892
 ASSI { 7554}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      1.900      .500      .500 peak  7554 weight   .10000E+01 volume   .11083E+01 ppm1      3.886 ppm2      4.001
 ASSI { 7555}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.200     2.200     2.300 peak  7555 weight   .10000E+01 volume   .45672E+00 ppm1      3.815 ppm2      3.686
 ASSI { 7591}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.600     2.600     1.900 peak  7591 weight   .10000E+01 volume   .15489E+00 ppm1      4.604 ppm2      3.021
 ASSI { 7608}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
      1.600      .300      .600 peak  7608 weight   .10000E+01 volume   .29059E+01 ppm1      3.025 ppm2      2.668
 ASSI { 7678}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.200      .600      .600 peak  7678 weight   .10000E+01 volume   .50156E+00 ppm1      1.127 ppm2      3.693
 ASSI { 7679}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     2.200     2.300 peak  7679 weight   .10000E+01 volume   .39514E+00 ppm1      1.127 ppm2      3.563
 ASSI { 7912}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.300      .700      .700 peak  7912 weight   .10000E+01 volume   .32134E+00 ppm1      4.068 ppm2      3.835
 ASSI { 8118}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      1.800      .400      .400 peak  8118 weight   .10000E+01 volume   .15163E+01 ppm1      4.190 ppm2      3.960
 OR { 8118}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 8262}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      2.100      .600      .600 peak  8262 weight   .10000E+01 volume   .52812E+00 ppm1      2.822 ppm2      2.482
 ASSI { 8370}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.100     1.100 peak  8370 weight   .10000E+01 volume   .82350E-01 ppm1      4.152 ppm2      2.820
 ASSI { 8627}
   (( segid "    " and resid 39   and name HG12))
   (  segid "    " and resid 39   and name HD1%)
      2.200      .600      .600 peak  8627 weight   .10000E+01 volume   .38901E+00 ppm1       .756 ppm2       .390
 ASSI { 8631}
   (( segid "    " and resid 39   and name HG11))
   (  segid "    " and resid 39   and name HD1%)
      2.200      .600      .600 peak  8631 weight   .10000E+01 volume   .44865E+00 ppm1       .585 ppm2       .390
 ASSI { 8632}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.800     1.000     1.000 peak  8632 weight   .10000E+01 volume   .98920E-01 ppm1       .481 ppm2       .144
 ASSI { 8725}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.900      .500      .500 peak  8725 weight   .10000E+01 volume   .10527E+01 ppm1      2.894 ppm2      2.727
 ASSI { 8742}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 39   and name HB  ))
      2.400      .700      .700 peak  8742 weight   .10000E+01 volume   .25758E+00 ppm1       .615 ppm2       .990
 OR { 8742}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 39   and name HB  ))
 ASSI { 8825}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak  8825 weight   .10000E+01 volume   .87840E-01 ppm1      2.489 ppm2      4.148
 ASSI { 8830}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  8830 weight   .10000E+01 volume   .94850E-01 ppm1      2.262 ppm2      3.545
 OR { 8830}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 8838}
   (( segid "    " and resid 31   and name HG11))
   (  segid "    " and resid 31   and name HD1%)
      2.100      .600      .600 peak  8838 weight   .10000E+01 volume   .57979E+00 ppm1       .818 ppm2       .156
 OR { 8838}
   (( segid "    " and resid 31   and name HG12))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 8856}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HG1 ))
      2.700      .900      .900 peak  8856 weight   .10000E+01 volume   .13321E+00 ppm1      4.697 ppm2      2.206
 ASSI { 8859}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  8859 weight   .10000E+01 volume   .97000E-01 ppm1      4.097 ppm2      2.900
 ASSI { 8861}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.900     1.100     1.100 peak  8861 weight   .10000E+01 volume   .80980E-01 ppm1      4.091 ppm2      2.725
 ASSI { 8870}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HG1 ))
      1.500      .300      .700 peak  8870 weight   .10000E+01 volume   .42838E+01 ppm1      2.371 ppm2      2.197
 ASSI { 8939}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 47   and name HD1%)
      2.900     1.100     1.100 peak  8939 weight   .10000E+01 volume   .86520E-01 ppm1       .957 ppm2       .323
 ASSI { 8982}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      2.400     2.400     2.100 peak  8982 weight   .10000E+01 volume   .26430E+00 ppm1      4.779 ppm2       .331
 ASSI { 9013}
   (( segid "    " and resid 47   and name HG12))
   (  segid "    " and resid 47   and name HD1%)
      2.200      .600      .600 peak  9013 weight   .10000E+01 volume   .39107E+00 ppm1      1.128 ppm2       .336
 OR { 9013}
   (( segid "    " and resid 47   and name HG11))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 9021}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      2.400     2.400     2.100 peak  9021 weight   .10000E+01 volume   .27823E+00 ppm1       .335 ppm2      4.138
 ASSI { 9080}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HG1 ))
      1.500      .300      .700 peak  9080 weight   .10000E+01 volume   .48873E+01 ppm1      2.136 ppm2      2.039
 ASSI { 9091}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.800     1.000     1.000 peak  9091 weight   .10000E+01 volume   .99390E-01 ppm1      1.885 ppm2      2.142
 ASSI { 9092}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HG1 ))
      2.600      .800      .800 peak  9092 weight   .10000E+01 volume   .15976E+00 ppm1      1.822 ppm2      2.037
 ASSI { 9245}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak  9245 weight   .10000E+01 volume   .79430E-01 ppm1      2.373 ppm2      3.975
 ASSI { 9254}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak  9254 weight   .10000E+01 volume   .93070E-01 ppm1      2.197 ppm2      3.973
 ASSI { 9259}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak  9259 weight   .10000E+01 volume   .88090E-01 ppm1      2.005 ppm2      3.980
 ASSI { 9348}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.500      .800      .800 peak  9348 weight   .10000E+01 volume   .22409E+00 ppm1      1.964 ppm2      2.269
 OR { 9348}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HG1 ))
 ASSI { 9401}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.100     1.100 peak  9401 weight   .10000E+01 volume   .81410E-01 ppm1      4.229 ppm2      4.854
 ASSI { 9446}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.800     1.000     1.000 peak  9446 weight   .10000E+01 volume   .11487E+00 ppm1      4.606 ppm2      2.896
 OR { 9446}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 9455}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG1 ))
      2.500      .800      .800 peak  9455 weight   .10000E+01 volume   .22498E+00 ppm1      2.026 ppm2      2.270
 OR { 9455}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 9477}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     2.800     1.700 peak  9477 weight   .10000E+01 volume   .11507E+00 ppm1      4.682 ppm2      3.997
 ASSI {10712}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HG1 ))
      1.800      .400      .400 peak 10712 weight   .10000E+01 volume   .13999E+01 ppm1      2.495 ppm2      2.344
 ASSI {10756}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG1 ))
      2.200      .600      .600 peak 10756 weight   .10000E+01 volume   .38821E+00 ppm1      2.122 ppm2      2.386
 OR {10756}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI {10757}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.600      .800      .800 peak 10757 weight   .10000E+01 volume   .15941E+00 ppm1      2.021 ppm2      2.270
 OR {10757}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HG1 ))
 ASSI {10758}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG1 ))
      2.300      .700      .700 peak 10758 weight   .10000E+01 volume   .32564E+00 ppm1      2.000 ppm2      2.384
 OR {10758}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI {10759}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG2 ))
      2.500      .800      .800 peak 10759 weight   .10000E+01 volume   .22571E+00 ppm1      1.942 ppm2      2.271
 OR {10759}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {10851}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.100     1.100 peak 10851 weight   .10000E+01 volume   .84400E-01 ppm1      3.223 ppm2      4.424
 ASSI {10859}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak 10859 weight   .10000E+01 volume   .10406E+00 ppm1      1.807 ppm2      3.712
 ASSI {10860}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.500      .800      .800 peak 10860 weight   .10000E+01 volume   .19131E+00 ppm1      1.795 ppm2      4.110
 ASSI {11304}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak 11304 weight   .10000E+01 volume   .96780E-01 ppm1      3.711 ppm2      1.868
 ASSI {11305}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.800     1.000     1.000 peak 11305 weight   .10000E+01 volume   .10794E+00 ppm1      3.709 ppm2      1.811
 ASSI {11479}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400      .700      .700 peak 11479 weight   .10000E+01 volume   .27840E+00 ppm1      4.112 ppm2      1.842
 ASSI {11667}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      2.000      .500      .500 peak 11667 weight   .10000E+01 volume   .68618E+00 ppm1      2.506 ppm2      1.826
 ASSI {11796}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HG1 ))
      1.900      .500      .500 peak 11796 weight   .10000E+01 volume   .10325E+01 ppm1      1.465 ppm2      1.379
 ASSI {12004}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HG1 ))
      1.600      .300      .600 peak 12004 weight   .10000E+01 volume   .26743E+01 ppm1      1.583 ppm2      1.324
 ASSI {12432}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.100     1.100 peak 12432 weight   .10000E+01 volume   .89320E-01 ppm1      4.432 ppm2      3.298
 OR {12432}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {12711}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.500      .800      .800 peak 12711 weight   .10000E+01 volume   .22856E+00 ppm1      3.004 ppm2      4.651
 ASSI {12896}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
      2.500     2.500     2.000 peak 12896 weight   .10000E+01 volume   .20015E+00 ppm1      1.029 ppm2      1.913
 OR {12896}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 29   and name HB1 ))
 ASSI {13673}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      1.900     1.900     2.600 peak 13673 weight   .10000E+01 volume   .10044E+01 ppm1      4.388 ppm2      4.619
 ASSI {14265}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 55   and name HG12))
      2.400      .700      .700 peak 14265 weight   .10000E+01 volume   .26206E+00 ppm1      1.995 ppm2      2.138
 OR {14265}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 55   and name HG11))
 ASSI {14463}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.900     1.100     1.100 peak 14463 weight   .10000E+01 volume   .91970E-01 ppm1      4.838 ppm2      3.289
 ASSI {15500}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     2.600     1.900 peak 15500 weight   .10000E+01 volume   .18116E+00 ppm1      3.837 ppm2      4.386
 ASSI {15723}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      2.700     2.700     1.800 peak 15723 weight   .10000E+01 volume   .13424E+00 ppm1       .758 ppm2      1.088
 ASSI {15866}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 28   and name HG  ))
      2.900     1.100     1.100 peak 15866 weight   .10000E+01 volume   .85110E-01 ppm1       .965 ppm2      1.125
 OR {15866}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
 ASSI {15917}
   (( segid "    " and resid 47   and name HG12))
   (( segid "    " and resid 48   and name HD2 ))
      2.400     2.400     2.100 peak 15917 weight   .10000E+01 volume   .24857E+00 ppm1      1.113 ppm2      3.664
 OR {15917}
   (( segid "    " and resid 47   and name HG11))
   (( segid "    " and resid 48   and name HD2 ))
 ASSI {16006}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.400      .700      .700 peak 16006 weight   .10000E+01 volume   .28621E+00 ppm1      2.151 ppm2      3.490
 OR {16006}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {16270}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      2.500      .800      .800 peak 16270 weight   .10000E+01 volume   .20029E+00 ppm1      1.580 ppm2      1.850
 ASSI {  228}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak   228 weight   .10000E+01 volume   .19758E+00 ppm1     10.175 ppm2      8.241
 ASSI {  231}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 56   and name HZ2 ))
      2.100      .600      .600 peak   231 weight   .10000E+01 volume   .16944E+01 ppm1     10.174 ppm2      7.127
 ASSI {  232}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 60   and name HE22))
      3.100     1.200     1.200 peak   232 weight   .10000E+01 volume   .16719E+00 ppm1     10.173 ppm2      6.782
 ASSI {  233}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 60   and name HE21))
      3.100     1.200     1.200 peak   233 weight   .10000E+01 volume   .16541E+00 ppm1     10.175 ppm2      5.970
 ASSI {  234}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700      .900      .900 peak   234 weight   .10000E+01 volume   .46436E+00 ppm1     10.174 ppm2      4.851
 ASSI {  238}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 60   and name HB1 ))
      3.500     1.500     1.500 peak   238 weight   .10000E+01 volume   .84270E-01 ppm1     10.174 ppm2      1.815
 ASSI {  239}
   (( segid "    " and resid 56   and name HE1 ))
   (  segid "    " and resid 38   and name HG2%)
      2.900     1.100     1.100 peak   239 weight   .10000E+01 volume   .26333E+00 ppm1     10.174 ppm2      1.413
 ASSI {  302}
   (( segid "    " and resid 56   and name HE1 ))
   (  segid "    " and resid 39   and name HG2%)
      3.000     1.100     1.100 peak   302 weight   .10000E+01 volume   .20036E+00 ppm1     10.174 ppm2       .614
 ASSI {  346}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   346 weight   .10000E+01 volume   .16142E+00 ppm1      7.994 ppm2      7.851
 ASSI {  350}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak   350 weight   .10000E+01 volume   .34473E+00 ppm1      7.993 ppm2      4.409
 ASSI {  351}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.400      .700      .700 peak   351 weight   .10000E+01 volume   .79948E+00 ppm1      7.994 ppm2      4.209
 ASSI {  352}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA2 ))
      2.700      .900      .900 peak   352 weight   .10000E+01 volume   .42146E+00 ppm1      7.994 ppm2      3.944
 ASSI {  353}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      2.900     1.100     1.100 peak   353 weight   .10000E+01 volume   .29484E+00 ppm1      7.994 ppm2      3.727
 ASSI {  354}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.400     1.400 peak   354 weight   .10000E+01 volume   .10543E+00 ppm1      7.993 ppm2      2.163
 OR {  354}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  355}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      3.300     1.400     1.400 peak   355 weight   .10000E+01 volume   .12131E+00 ppm1      7.995 ppm2      1.864
 ASSI {  356}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   356 weight   .10000E+01 volume   .96140E-01 ppm1      7.994 ppm2      1.773
 ASSI {  357}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.100      .600      .600 peak   357 weight   .10000E+01 volume   .20433E+01 ppm1      7.993 ppm2      1.577
 ASSI {  541}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   541 weight   .10000E+01 volume   .81050E-01 ppm1      7.737 ppm2      4.073
 ASSI {  589}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   589 weight   .10000E+01 volume   .30703E+00 ppm1      9.041 ppm2      3.535
 ASSI {  590}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak   590 weight   .10000E+01 volume   .19771E+00 ppm1      9.042 ppm2      2.503
 ASSI {  591}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
      2.600     2.600     1.900 peak   591 weight   .10000E+01 volume   .47095E+00 ppm1      9.043 ppm2      2.264
 OR {  591}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
 ASSI {  592}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.500      .800      .800 peak   592 weight   .10000E+01 volume   .69974E+00 ppm1      9.042 ppm2      1.996
 OR {  592}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
 ASSI {  593}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.100     1.200     1.200 peak   593 weight   .10000E+01 volume   .17405E+00 ppm1      9.043 ppm2      1.826
 ASSI {  650}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200      .600      .600 peak   650 weight   .10000E+01 volume   .14858E+01 ppm1      8.250 ppm2      4.774
 ASSI {  652}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     1.200     1.200 peak   652 weight   .10000E+01 volume   .18202E+00 ppm1      8.250 ppm2      4.379
 ASSI {  653}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.200     1.300     1.300 peak   653 weight   .10000E+01 volume   .15355E+00 ppm1      8.252 ppm2      3.119
 ASSI {  654}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.200     1.300     1.300 peak   654 weight   .10000E+01 volume   .16236E+00 ppm1      8.252 ppm2      3.066
 ASSI {  655}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.500      .800      .800 peak   655 weight   .10000E+01 volume   .69601E+00 ppm1      8.251 ppm2      1.289
 ASSI {  657}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.100     1.100 peak   657 weight   .10000E+01 volume   .26726E+00 ppm1      7.615 ppm2      8.379
 ASSI {  661}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.100      .600      .600 peak   661 weight   .10000E+01 volume   .19806E+01 ppm1      7.616 ppm2      4.622
 ASSI {  662}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.300      .700      .700 peak   662 weight   .10000E+01 volume   .11330E+01 ppm1      7.616 ppm2      4.363
 ASSI {  663}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.500      .800      .800 peak   663 weight   .10000E+01 volume   .64651E+00 ppm1      7.616 ppm2      3.019
 ASSI {  664}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.400     2.400     2.100 peak   664 weight   .10000E+01 volume   .82067E+00 ppm1      7.616 ppm2      2.892
 ASSI {  665}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak   665 weight   .10000E+01 volume   .32265E+00 ppm1      7.616 ppm2      2.654
 ASSI {  666}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.900     1.100     1.100 peak   666 weight   .10000E+01 volume   .26874E+00 ppm1      7.616 ppm2      2.495
 ASSI {  694}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   694 weight   .10000E+01 volume   .24818E+00 ppm1      8.836 ppm2      4.885
 ASSI {  696}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      3.600     1.600     1.600 peak   696 weight   .10000E+01 volume   .79260E-01 ppm1      8.836 ppm2      3.829
 ASSI {  697}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.500      .800      .800 peak   697 weight   .10000E+01 volume   .63989E+00 ppm1      8.836 ppm2      2.781
 OR {  697}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  700}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.500      .800      .800 peak   700 weight   .10000E+01 volume   .58799E+00 ppm1      8.836 ppm2      1.294
 ASSI {  735}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak   735 weight   .10000E+01 volume   .98880E-01 ppm1      7.663 ppm2      8.320
 ASSI {  736}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.400     1.400     1.400 peak   736 weight   .10000E+01 volume   .10773E+00 ppm1      7.663 ppm2      3.650
 ASSI {  781}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   781 weight   .10000E+01 volume   .19110E+00 ppm1      8.551 ppm2      4.235
 ASSI {  782}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      3.000     1.100     1.100 peak   782 weight   .10000E+01 volume   .23077E+00 ppm1      8.550 ppm2      4.093
 ASSI {  783}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700      .900      .900 peak   783 weight   .10000E+01 volume   .43510E+00 ppm1      8.551 ppm2      3.948
 ASSI {  784}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
      2.800     1.000     1.000 peak   784 weight   .10000E+01 volume   .34799E+00 ppm1      8.550 ppm2      3.732
 ASSI {  786}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.300     1.400     1.400 peak   786 weight   .10000E+01 volume   .11676E+00 ppm1      8.551 ppm2      1.477
 ASSI {  788}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.700      .900      .900 peak   788 weight   .10000E+01 volume   .41300E+00 ppm1      8.550 ppm2      1.249
 ASSI {  790}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      2.700     2.700     1.800 peak   790 weight   .10000E+01 volume   .40528E+00 ppm1      8.550 ppm2       .926
 ASSI {  792}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      2.700      .900      .900 peak   792 weight   .10000E+01 volume   .43972E+00 ppm1      8.550 ppm2       .467
 ASSI {  793}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.400     1.400     1.400 peak   793 weight   .10000E+01 volume   .11107E+00 ppm1      8.550 ppm2       .289
 ASSI {  796}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   796 weight   .10000E+01 volume   .18504E+00 ppm1      8.304 ppm2      3.513
 ASSI {  797}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.500     1.500     1.500 peak   797 weight   .10000E+01 volume   .82540E-01 ppm1      8.303 ppm2      3.233
 ASSI {  798}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.900     1.100     1.100 peak   798 weight   .10000E+01 volume   .28875E+00 ppm1      8.304 ppm2      2.369
 ASSI {  799}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      2.700      .900      .900 peak   799 weight   .10000E+01 volume   .45705E+00 ppm1      8.304 ppm2      2.194
 ASSI {  800}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.500     2.500     2.000 peak   800 weight   .10000E+01 volume   .72122E+00 ppm1      8.303 ppm2      1.996
 ASSI {  801}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.500      .800      .800 peak   801 weight   .10000E+01 volume   .58517E+00 ppm1      8.304 ppm2      1.930
 ASSI {  802}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     1.100     1.100 peak   802 weight   .10000E+01 volume   .24210E+00 ppm1      8.303 ppm2      1.415
 ASSI {  803}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.800     1.000     1.000 peak   803 weight   .10000E+01 volume   .36299E+00 ppm1      8.303 ppm2       .986
 ASSI {  804}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.400     1.400     1.400 peak   804 weight   .10000E+01 volume   .10416E+00 ppm1      8.302 ppm2       .759
 ASSI {  805}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      2.500      .800      .800 peak   805 weight   .10000E+01 volume   .71633E+00 ppm1      8.303 ppm2       .608
 ASSI {  806}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.400     1.400     1.400 peak   806 weight   .10000E+01 volume   .99740E-01 ppm1      8.303 ppm2       .390
 ASSI {  811}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   811 weight   .10000E+01 volume   .31520E+00 ppm1      7.720 ppm2      4.424
 ASSI {  814}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   814 weight   .10000E+01 volume   .15481E+00 ppm1      7.728 ppm2      1.662
 ASSI {  817}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.300     1.400     1.400 peak   817 weight   .10000E+01 volume   .12108E+00 ppm1      7.725 ppm2       .932
 OR {  817}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {  820}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD% )
      3.200     1.300     1.300 peak   820 weight   .10000E+01 volume   .15240E+00 ppm1      7.714 ppm2      6.976
 ASSI {  821}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.400     1.400 peak   821 weight   .10000E+01 volume   .96660E-01 ppm1      7.712 ppm2      4.080
 ASSI {  823}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.000     1.100     1.100 peak   823 weight   .10000E+01 volume   .24264E+00 ppm1      7.713 ppm2      3.365
 ASSI {  824}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.000     1.100     1.100 peak   824 weight   .10000E+01 volume   .22397E+00 ppm1      7.711 ppm2      2.935
 ASSI {  825}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.400     1.400 peak   825 weight   .10000E+01 volume   .96570E-01 ppm1      7.712 ppm2       .145
 ASSI {  828}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.100     1.100 peak   828 weight   .10000E+01 volume   .25012E+00 ppm1      7.663 ppm2      7.079
 ASSI {  831}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.700      .900      .900 peak   831 weight   .10000E+01 volume   .37766E+00 ppm1      7.665 ppm2      4.403
 ASSI {  833}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA2 ))
      2.900     1.100     1.100 peak   833 weight   .10000E+01 volume   .25126E+00 ppm1      7.666 ppm2      3.953
 ASSI {  834}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.100     1.100 peak   834 weight   .10000E+01 volume   .28330E+00 ppm1      7.663 ppm2      3.794
 ASSI {  835}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      3.000     1.100     1.100 peak   835 weight   .10000E+01 volume   .23304E+00 ppm1      7.664 ppm2      3.283
 ASSI {  836}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.500     1.500     1.500 peak   836 weight   .10000E+01 volume   .92340E-01 ppm1      7.662 ppm2      2.514
 ASSI {  837}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   837 weight   .10000E+01 volume   .35300E+00 ppm1      7.662 ppm2      2.082
 ASSI {  839}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.800     1.000     1.000 peak   839 weight   .10000E+01 volume   .36842E+00 ppm1      7.663 ppm2      1.286
 ASSI {  840}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
      2.800     2.800     1.700 peak   840 weight   .10000E+01 volume   .36299E+00 ppm1      7.662 ppm2      1.107
 ASSI {  841}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      2.800     1.000     1.000 peak   841 weight   .10000E+01 volume   .32523E+00 ppm1      7.662 ppm2       .917
 ASSI {  842}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      3.500     1.500     1.500 peak   842 weight   .10000E+01 volume   .87230E-01 ppm1      7.664 ppm2       .431
 ASSI {  874}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.500      .800      .800 peak   874 weight   .10000E+01 volume   .69368E+00 ppm1      8.305 ppm2      3.975
 ASSI {  881}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   881 weight   .10000E+01 volume   .24571E+00 ppm1      8.017 ppm2      9.408
 ASSI {  884}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700      .900      .900 peak   884 weight   .10000E+01 volume   .43024E+00 ppm1      8.016 ppm2      7.858
 ASSI {  885}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   885 weight   .10000E+01 volume   .11582E+00 ppm1      8.019 ppm2      7.725
 ASSI {  886}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600      .800      .800 peak   886 weight   .10000E+01 volume   .51361E+00 ppm1      8.017 ppm2      4.411
 ASSI {  887}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak   887 weight   .10000E+01 volume   .10524E+00 ppm1      8.016 ppm2      3.513
 ASSI {  888}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700      .900      .900 peak   888 weight   .10000E+01 volume   .43936E+00 ppm1      8.016 ppm2      3.224
 ASSI {  889}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.700      .900      .900 peak   889 weight   .10000E+01 volume   .39287E+00 ppm1      8.016 ppm2      2.679
 ASSI {  890}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.300     1.400     1.400 peak   890 weight   .10000E+01 volume   .12370E+00 ppm1      8.017 ppm2      2.369
 ASSI {  892}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.700      .900      .900 peak   892 weight   .10000E+01 volume   .42188E+00 ppm1      8.017 ppm2      1.995
 ASSI {  893}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     3.100     1.400 peak   893 weight   .10000E+01 volume   .16912E+00 ppm1      8.017 ppm2      1.418
 ASSI {  894}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      3.500     1.500     1.500 peak   894 weight   .10000E+01 volume   .89750E-01 ppm1      8.018 ppm2      1.218
 ASSI {  896}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      3.000     1.100     1.100 peak   896 weight   .10000E+01 volume   .23313E+00 ppm1      8.016 ppm2       .963
 ASSI {  897}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.300     1.400     1.400 peak   897 weight   .10000E+01 volume   .11662E+00 ppm1      8.015 ppm2       .610
 ASSI {  970}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.400     1.400 peak   970 weight   .10000E+01 volume   .10542E+00 ppm1      8.381 ppm2      8.086
 ASSI {  977}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak   977 weight   .10000E+01 volume   .19797E+00 ppm1      8.382 ppm2      3.095
 ASSI {  978}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.200     1.300     1.300 peak   978 weight   .10000E+01 volume   .16370E+00 ppm1      8.381 ppm2      2.993
 ASSI {  979}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak   979 weight   .10000E+01 volume   .20597E+00 ppm1      8.382 ppm2      2.652
 ASSI {  980}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak   980 weight   .10000E+01 volume   .35052E+00 ppm1      8.382 ppm2      2.494
 ASSI { 1040}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.000     1.100     1.100 peak  1040 weight   .10000E+01 volume   .21496E+00 ppm1      8.858 ppm2      3.692
 ASSI { 1042}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      2.800     1.000     1.000 peak  1042 weight   .10000E+01 volume   .36159E+00 ppm1      8.858 ppm2      1.205
 ASSI { 1045}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HE3 ))
      3.200     1.300     1.300 peak  1045 weight   .10000E+01 volume   .15559E+00 ppm1      8.856 ppm2      7.116
 ASSI { 1055}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.700      .900      .900 peak  1055 weight   .10000E+01 volume   .38232E+00 ppm1      8.116 ppm2      8.855
 ASSI { 1056}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     2.400     2.100 peak  1056 weight   .10000E+01 volume   .80022E+00 ppm1      8.117 ppm2      4.771
 ASSI { 1057}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.900     1.100     1.100 peak  1057 weight   .10000E+01 volume   .25102E+00 ppm1      8.112 ppm2      3.959
 ASSI { 1058}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700      .900      .900 peak  1058 weight   .10000E+01 volume   .37772E+00 ppm1      8.115 ppm2      3.690
 ASSI { 1060}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      2.600      .800      .800 peak  1060 weight   .10000E+01 volume   .46899E+00 ppm1      8.115 ppm2      2.124
 OR { 1060}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
 ASSI { 1061}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
      2.500      .800      .800 peak  1061 weight   .10000E+01 volume   .67370E+00 ppm1      8.116 ppm2      1.994
 ASSI { 1063}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HG2%)
      2.800     1.000     1.000 peak  1063 weight   .10000E+01 volume   .31666E+00 ppm1      8.115 ppm2      1.358
 ASSI { 1066}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak  1066 weight   .10000E+01 volume   .17748E+00 ppm1      8.114 ppm2       .294
 OR { 1066}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1069}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  1069 weight   .10000E+01 volume   .34023E+00 ppm1      7.610 ppm2      8.482
 ASSI { 1071}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.700      .900      .900 peak  1071 weight   .10000E+01 volume   .37645E+00 ppm1      7.608 ppm2      3.697
 ASSI { 1072}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG11))
      2.500     2.500     2.000 peak  1072 weight   .10000E+01 volume   .59482E+00 ppm1      7.608 ppm2      1.759
 OR { 1072}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
 ASSI { 1074}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 23   and name HD% )
      3.300     1.400     1.400 peak  1074 weight   .10000E+01 volume   .12258E+00 ppm1      7.606 ppm2      7.389
 OR { 1074}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1075}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak  1075 weight   .10000E+01 volume   .28518E+00 ppm1      7.607 ppm2      4.784
 ASSI { 1076}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak  1076 weight   .10000E+01 volume   .13385E+00 ppm1      7.606 ppm2      4.086
 ASSI { 1077}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.200     1.300     1.300 peak  1077 weight   .10000E+01 volume   .14771E+00 ppm1      7.606 ppm2      3.090
 ASSI { 1078}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.300      .700      .700 peak  1078 weight   .10000E+01 volume   .10473E+01 ppm1      7.607 ppm2      1.923
 ASSI { 1079}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      2.400     2.400     2.100 peak  1079 weight   .10000E+01 volume   .84990E+00 ppm1      7.607 ppm2      1.008
 ASSI { 1080}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.300     1.400     1.400 peak  1080 weight   .10000E+01 volume   .11508E+00 ppm1      7.607 ppm2       .740
 ASSI { 1142}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  1142 weight   .10000E+01 volume   .33437E+00 ppm1      8.857 ppm2      9.115
 ASSI { 1146}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      2.700      .900      .900 peak  1146 weight   .10000E+01 volume   .42365E+00 ppm1      8.857 ppm2      1.087
 ASSI { 1150}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1150 weight   .10000E+01 volume   .35910E+00 ppm1      8.856 ppm2      4.239
 ASSI { 1151}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.600      .800      .800 peak  1151 weight   .10000E+01 volume   .53433E+00 ppm1      8.856 ppm2      3.515
 ASSI { 1152}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.600      .800      .800 peak  1152 weight   .10000E+01 volume   .50919E+00 ppm1      8.857 ppm2      3.263
 ASSI { 1154}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.200     1.300     1.300 peak  1154 weight   .10000E+01 volume   .15265E+00 ppm1      8.857 ppm2       .387
 ASSI { 1157}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 56   and name HE3 ))
      3.300     1.400     1.400 peak  1157 weight   .10000E+01 volume   .13295E+00 ppm1      8.241 ppm2      7.107
 OR { 1157}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 56   and name HZ2 ))
 OR { 1157}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 56   and name HZ3 ))
 ASSI { 1158}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak  1158 weight   .10000E+01 volume   .32738E+00 ppm1      8.241 ppm2      3.511
 ASSI { 1160}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.700      .900      .900 peak  1160 weight   .10000E+01 volume   .41752E+00 ppm1      8.241 ppm2      1.415
 ASSI { 1161}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.600      .800      .800 peak  1161 weight   .10000E+01 volume   .57946E+00 ppm1      8.241 ppm2       .989
 ASSI { 1162}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      2.800     2.800     1.700 peak  1162 weight   .10000E+01 volume   .32347E+00 ppm1      8.240 ppm2       .758
 ASSI { 1163}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      2.500      .800      .800 peak  1163 weight   .10000E+01 volume   .66934E+00 ppm1      8.240 ppm2       .603
 ASSI { 1164}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.000     1.100     1.100 peak  1164 weight   .10000E+01 volume   .20045E+00 ppm1      8.240 ppm2       .390
 ASSI { 1167}
   (  segid "    " and resid 1    and name HT% )
   (  segid "    " and resid 1    and name HD% )
      2.900     1.100     1.100 peak  1167 weight   .10000E+01 volume   .26577E+00 ppm1      8.043 ppm2      7.070
 ASSI { 1168}
   (  segid "    " and resid 1    and name HT% )
   (( segid "    " and resid 1    and name HA  ))
      2.900     1.100     1.100 peak  1168 weight   .10000E+01 volume   .27104E+00 ppm1      8.043 ppm2      4.571
 ASSI { 1172}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700      .900      .900 peak  1172 weight   .10000E+01 volume   .43782E+00 ppm1      7.513 ppm2      8.277
 ASSI { 1174}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.700      .900      .900 peak  1174 weight   .10000E+01 volume   .40519E+00 ppm1      7.513 ppm2      4.967
 ASSI { 1175}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700      .900      .900 peak  1175 weight   .10000E+01 volume   .41034E+00 ppm1      7.513 ppm2      4.709
 ASSI { 1176}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak  1176 weight   .10000E+01 volume   .24275E+00 ppm1      7.513 ppm2      4.247
 ASSI { 1177}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1177 weight   .10000E+01 volume   .15693E+00 ppm1      7.513 ppm2      3.800
 ASSI { 1179}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.300     1.300 peak  1179 weight   .10000E+01 volume   .14481E+00 ppm1      7.513 ppm2      3.022
 ASSI { 1180}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.000     1.100     1.100 peak  1180 weight   .10000E+01 volume   .21616E+00 ppm1      7.512 ppm2      2.674
 ASSI { 1181}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.200      .600      .600 peak  1181 weight   .10000E+01 volume   .13240E+01 ppm1      7.513 ppm2      1.997
 ASSI { 1182}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.700      .900      .900 peak  1182 weight   .10000E+01 volume   .43810E+00 ppm1      7.514 ppm2      1.593
 ASSI { 1183}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.400     1.400     1.400 peak  1183 weight   .10000E+01 volume   .10471E+00 ppm1      7.513 ppm2      1.410
 ASSI { 1186}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.400     1.400 peak  1186 weight   .10000E+01 volume   .11179E+00 ppm1      7.510 ppm2       .444
 ASSI { 1228}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1228 weight   .10000E+01 volume   .80450E-01 ppm1      8.240 ppm2      8.014
 ASSI { 1229}
   (  segid "    " and resid 1    and name HT% )
   (( segid "    " and resid 1    and name HB1 ))
      2.900     1.100     1.100 peak  1229 weight   .10000E+01 volume   .26829E+00 ppm1      8.043 ppm2      2.833
 ASSI { 1233}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  1233 weight   .10000E+01 volume   .21598E+00 ppm1      7.332 ppm2      8.372
 ASSI { 1234}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.100     1.100 peak  1234 weight   .10000E+01 volume   .28256E+00 ppm1      7.332 ppm2      7.450
 ASSI { 1236}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      2.700     2.700     1.800 peak  1236 weight   .10000E+01 volume   .37554E+00 ppm1      7.332 ppm2      6.919
 ASSI { 1237}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     2.500     2.000 peak  1237 weight   .10000E+01 volume   .65319E+00 ppm1      7.331 ppm2      4.776
 ASSI { 1238}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.700      .900      .900 peak  1238 weight   .10000E+01 volume   .39973E+00 ppm1      7.331 ppm2      4.088
 ASSI { 1239}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak  1239 weight   .10000E+01 volume   .20073E+00 ppm1      7.331 ppm2      3.868
 ASSI { 1241}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700      .900      .900 peak  1241 weight   .10000E+01 volume   .43273E+00 ppm1      7.332 ppm2      2.892
 ASSI { 1242}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.700      .900      .900 peak  1242 weight   .10000E+01 volume   .44557E+00 ppm1      7.331 ppm2      2.716
 ASSI { 1243}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      3.200     1.300     1.300 peak  1243 weight   .10000E+01 volume   .15576E+00 ppm1      7.330 ppm2      1.299
 ASSI { 1244}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG12))
      3.200     1.300     1.300 peak  1244 weight   .10000E+01 volume   .16339E+00 ppm1      7.332 ppm2       .804
 OR { 1244}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG11))
 ASSI { 1245}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      2.600      .800      .800 peak  1245 weight   .10000E+01 volume   .49628E+00 ppm1      7.331 ppm2       .358
 ASSI { 1293}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.400      .700      .700 peak  1293 weight   .10000E+01 volume   .90213E+00 ppm1      7.875 ppm2      4.457
 ASSI { 1294}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.200      .600      .600 peak  1294 weight   .10000E+01 volume   .14970E+01 ppm1      7.875 ppm2      2.744
 OR { 1294}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 1298}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700      .900      .900 peak  1298 weight   .10000E+01 volume   .40679E+00 ppm1      7.430 ppm2      4.457
 ASSI { 1299}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.300      .700      .700 peak  1299 weight   .10000E+01 volume   .97075E+00 ppm1      7.431 ppm2      4.142
 ASSI { 1300}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1300 weight   .10000E+01 volume   .17401E+00 ppm1      7.431 ppm2      3.715
 ASSI { 1302}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG  ))
      2.100      .600      .600 peak  1302 weight   .10000E+01 volume   .18211E+01 ppm1      7.431 ppm2      1.745
 ASSI { 1303}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.400      .700      .700 peak  1303 weight   .10000E+01 volume   .92008E+00 ppm1      7.431 ppm2      1.497
 ASSI { 1304}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      2.600      .800      .800 peak  1304 weight   .10000E+01 volume   .48809E+00 ppm1      7.431 ppm2       .634
 ASSI { 1305}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      2.700     2.700     1.800 peak  1305 weight   .10000E+01 volume   .39554E+00 ppm1      7.430 ppm2       .527
 ASSI { 1344}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      3.300     1.400     1.400 peak  1344 weight   .10000E+01 volume   .12570E+00 ppm1      7.865 ppm2       .636
 ASSI { 1356}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak  1356 weight   .10000E+01 volume   .26256E+00 ppm1      7.840 ppm2      7.948
 ASSI { 1389}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      3.000     1.100     1.100 peak  1389 weight   .10000E+01 volume   .22573E+00 ppm1      7.863 ppm2      5.969
 ASSI { 1390}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  1390 weight   .10000E+01 volume   .21922E+00 ppm1      7.860 ppm2      3.945
 ASSI { 1392}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      2.500      .800      .800 peak  1392 weight   .10000E+01 volume   .65246E+00 ppm1      7.862 ppm2      1.464
 ASSI { 1394}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.100     1.200     1.200 peak  1394 weight   .10000E+01 volume   .17375E+00 ppm1      7.863 ppm2       .471
 OR { 1394}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 1400}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     2.300     2.200 peak  1400 weight   .10000E+01 volume   .10096E+01 ppm1      7.845 ppm2      4.127
 ASSI { 1401}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.500      .800      .800 peak  1401 weight   .10000E+01 volume   .73993E+00 ppm1      7.844 ppm2      2.383
 OR { 1401}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 1402}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.500      .800      .800 peak  1402 weight   .10000E+01 volume   .66838E+00 ppm1      7.843 ppm2      2.117
 ASSI { 1403}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.200     2.200     2.300 peak  1403 weight   .10000E+01 volume   .12667E+01 ppm1      7.846 ppm2      1.994
 ASSI { 1405}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HD2 ))
      3.200     1.300     1.300 peak  1405 weight   .10000E+01 volume   .13815E+00 ppm1      7.849 ppm2      1.613
 OR { 1405}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HD1 ))
 ASSI { 1413}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.400     1.400 peak  1413 weight   .10000E+01 volume   .13112E+00 ppm1      7.673 ppm2      4.456
 ASSI { 1414}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300      .700      .700 peak  1414 weight   .10000E+01 volume   .11915E+01 ppm1      7.673 ppm2      4.124
 ASSI { 1415}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1415 weight   .10000E+01 volume   .23134E+00 ppm1      7.672 ppm2      3.713
 ASSI { 1416}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HE1 ))
      3.500     1.500     1.500 peak  1416 weight   .10000E+01 volume   .88300E-01 ppm1      7.673 ppm2      2.923
 OR { 1416}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HE2 ))
 ASSI { 1417}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.500     1.500     1.500 peak  1417 weight   .10000E+01 volume   .91610E-01 ppm1      7.674 ppm2      2.749
 OR { 1417}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1418}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.300      .700      .700 peak  1418 weight   .10000E+01 volume   .11919E+01 ppm1      7.674 ppm2      1.784
 ASSI { 1419}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.400      .700      .700 peak  1419 weight   .10000E+01 volume   .91501E+00 ppm1      7.674 ppm2      1.503
 ASSI { 1421}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      3.000     1.100     1.100 peak  1421 weight   .10000E+01 volume   .21264E+00 ppm1      7.673 ppm2       .633
 ASSI { 1422}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      3.300     1.400     1.400 peak  1422 weight   .10000E+01 volume   .13581E+00 ppm1      7.674 ppm2       .527
 ASSI { 1425}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      2.500      .800      .800 peak  1425 weight   .10000E+01 volume   .61426E+00 ppm1      7.623 ppm2       .980
 ASSI { 1427}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.900     1.100     1.100 peak  1427 weight   .10000E+01 volume   .29763E+00 ppm1      7.620 ppm2      2.118
 ASSI { 1431}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak  1431 weight   .10000E+01 volume   .17398E+00 ppm1      7.605 ppm2      4.977
 ASSI { 1433}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.700      .900      .900 peak  1433 weight   .10000E+01 volume   .43152E+00 ppm1      7.605 ppm2      3.750
 ASSI { 1434}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1434 weight   .10000E+01 volume   .32515E+00 ppm1      7.604 ppm2      3.541
 ASSI { 1435}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
      3.100     1.200     1.200 peak  1435 weight   .10000E+01 volume   .17788E+00 ppm1      7.605 ppm2      3.122
 OR { 1435}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1436}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.200     1.300     1.300 peak  1436 weight   .10000E+01 volume   .16358E+00 ppm1      7.606 ppm2      2.461
 ASSI { 1437}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
      3.400     1.400     1.400 peak  1437 weight   .10000E+01 volume   .98960E-01 ppm1      7.605 ppm2      2.255
 OR { 1437}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 1438}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.500      .800      .800 peak  1438 weight   .10000E+01 volume   .59062E+00 ppm1      7.606 ppm2      1.966
 ASSI { 1439}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.400      .700      .700 peak  1439 weight   .10000E+01 volume   .75668E+00 ppm1      7.605 ppm2      1.819
 ASSI { 1440}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      2.800     1.000     1.000 peak  1440 weight   .10000E+01 volume   .34148E+00 ppm1      7.606 ppm2      1.276
 OR { 1440}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI { 1443}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      3.300     1.400     1.400 peak  1443 weight   .10000E+01 volume   .13258E+00 ppm1      7.124 ppm2      3.717
 ASSI { 1444}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
      2.700     2.700     1.800 peak  1444 weight   .10000E+01 volume   .42635E+00 ppm1      7.124 ppm2       .951
 ASSI { 1445}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.400     1.400 peak  1445 weight   .10000E+01 volume   .10113E+00 ppm1      7.124 ppm2       .760
 ASSI { 1446}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      2.700      .900      .900 peak  1446 weight   .10000E+01 volume   .39126E+00 ppm1      7.125 ppm2       .332
 ASSI { 1449}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  1449 weight   .10000E+01 volume   .13739E+00 ppm1      7.123 ppm2      4.191
 ASSI { 1451}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak  1451 weight   .10000E+01 volume   .30262E+00 ppm1      7.123 ppm2      3.189
 ASSI { 1452}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      2.400      .700      .700 peak  1452 weight   .10000E+01 volume   .74975E+00 ppm1      7.123 ppm2      1.511
 ASSI { 1454}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG11))
      2.300      .700      .700 peak  1454 weight   .10000E+01 volume   .97317E+00 ppm1      7.123 ppm2      1.123
 OR { 1454}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG12))
 ASSI { 1477}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak  1477 weight   .10000E+01 volume   .19152E+00 ppm1      8.903 ppm2      4.193
 OR { 1477}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1478}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700      .900      .900 peak  1478 weight   .10000E+01 volume   .43318E+00 ppm1      8.901 ppm2      3.959
 ASSI { 1479}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      2.900     1.100     1.100 peak  1479 weight   .10000E+01 volume   .27040E+00 ppm1      8.902 ppm2      2.110
 ASSI { 1480}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      3.000     1.100     1.100 peak  1480 weight   .10000E+01 volume   .23780E+00 ppm1      8.902 ppm2       .956
 OR { 1480}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1495}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      2.900     1.100     1.100 peak  1495 weight   .10000E+01 volume   .29729E+00 ppm1      8.324 ppm2      2.262
 ASSI { 1496}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.100     1.200     1.200 peak  1496 weight   .10000E+01 volume   .19311E+00 ppm1      8.324 ppm2      2.145
 ASSI { 1497}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak  1497 weight   .10000E+01 volume   .22097E+00 ppm1      8.325 ppm2      1.937
 OR { 1497}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1499}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.100     1.200     1.200 peak  1499 weight   .10000E+01 volume   .17333E+00 ppm1      8.323 ppm2       .925
 OR { 1499}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1502}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak  1502 weight   .10000E+01 volume   .22898E+00 ppm1      8.102 ppm2      4.643
 ASSI { 1503}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA1 ))
      2.700      .900      .900 peak  1503 weight   .10000E+01 volume   .39170E+00 ppm1      8.102 ppm2      3.910
 OR { 1503}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA2 ))
 ASSI { 1504}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak  1504 weight   .10000E+01 volume   .17542E+00 ppm1      8.101 ppm2      3.096
 ASSI { 1505}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.000     1.100     1.100 peak  1505 weight   .10000E+01 volume   .20667E+00 ppm1      8.102 ppm2      2.990
 ASSI { 1508}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak  1508 weight   .10000E+01 volume   .19202E+00 ppm1      8.040 ppm2      4.978
 ASSI { 1509}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     2.300     2.200 peak  1509 weight   .10000E+01 volume   .11010E+01 ppm1      8.041 ppm2      4.769
 ASSI { 1510}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB  ))
      2.500      .800      .800 peak  1510 weight   .10000E+01 volume   .71621E+00 ppm1      8.041 ppm2      4.326
 ASSI { 1511}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.500      .800      .800 peak  1511 weight   .10000E+01 volume   .66028E+00 ppm1      8.040 ppm2      3.953
 ASSI { 1514}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.200     1.300     1.300 peak  1514 weight   .10000E+01 volume   .15106E+00 ppm1      8.042 ppm2      2.712
 OR { 1514}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1517}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HG2%)
      2.700     2.700     1.800 peak  1517 weight   .10000E+01 volume   .43797E+00 ppm1      8.041 ppm2      1.358
 ASSI { 1524}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak  1524 weight   .10000E+01 volume   .18918E+00 ppm1      7.389 ppm2      4.418
 ASSI { 1525}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak  1525 weight   .10000E+01 volume   .26534E+00 ppm1      7.391 ppm2      4.243
 ASSI { 1526}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak  1526 weight   .10000E+01 volume   .12860E+00 ppm1      7.390 ppm2      3.795
 ASSI { 1528}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.000     1.100     1.100 peak  1528 weight   .10000E+01 volume   .21980E+00 ppm1      7.393 ppm2      3.284
 OR { 1528}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1531}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak  1531 weight   .10000E+01 volume   .32824E+00 ppm1      7.391 ppm2      1.684
 ASSI { 1532}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      2.900     1.100     1.100 peak  1532 weight   .10000E+01 volume   .27308E+00 ppm1      7.390 ppm2      1.551
 ASSI { 1533}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.700      .900      .900 peak  1533 weight   .10000E+01 volume   .42165E+00 ppm1      7.392 ppm2      1.390
 ASSI { 1536}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      2.600      .800      .800 peak  1536 weight   .10000E+01 volume   .53039E+00 ppm1      7.391 ppm2       .437
 ASSI { 1537}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      2.800     1.000     1.000 peak  1537 weight   .10000E+01 volume   .30115E+00 ppm1      7.390 ppm2       .165
 ASSI { 1538}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  1538 weight   .10000E+01 volume   .16485E+00 ppm1      7.172 ppm2      8.633
 ASSI { 1539}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700      .900      .900 peak  1539 weight   .10000E+01 volume   .40219E+00 ppm1      7.176 ppm2      8.483
 ASSI { 1541}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak  1541 weight   .10000E+01 volume   .22328E+00 ppm1      7.173 ppm2      4.534
 ASSI { 1542}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.600      .800      .800 peak  1542 weight   .10000E+01 volume   .53953E+00 ppm1      7.172 ppm2      4.141
 ASSI { 1543}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  1543 weight   .10000E+01 volume   .17965E+00 ppm1      7.174 ppm2      3.675
 ASSI { 1544}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     2.600     1.900 peak  1544 weight   .10000E+01 volume   .48003E+00 ppm1      7.173 ppm2      2.817
 ASSI { 1545}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.500      .800      .800 peak  1545 weight   .10000E+01 volume   .58997E+00 ppm1      7.172 ppm2      2.487
 ASSI { 1546}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.200     1.300     1.300 peak  1546 weight   .10000E+01 volume   .14728E+00 ppm1      7.172 ppm2      2.115
 ASSI { 1547}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.200     1.300     1.300 peak  1547 weight   .10000E+01 volume   .16077E+00 ppm1      7.174 ppm2      2.046
 ASSI { 1548}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.700      .900      .900 peak  1548 weight   .10000E+01 volume   .40953E+00 ppm1      7.171 ppm2      1.841
 ASSI { 1561}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700      .900      .900 peak  1561 weight   .10000E+01 volume   .38455E+00 ppm1      7.084 ppm2      4.554
 ASSI { 1562}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.400     1.400 peak  1562 weight   .10000E+01 volume   .10874E+00 ppm1      7.084 ppm2      4.424
 ASSI { 1563}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak  1563 weight   .10000E+01 volume   .29055E+00 ppm1      7.086 ppm2      3.949
 ASSI { 1564}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak  1564 weight   .10000E+01 volume   .13948E+00 ppm1      7.086 ppm2      3.803
 ASSI { 1565}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      3.400     1.400     1.400 peak  1565 weight   .10000E+01 volume   .10459E+00 ppm1      7.088 ppm2      3.270
 ASSI { 1566}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      2.600      .800      .800 peak  1566 weight   .10000E+01 volume   .52447E+00 ppm1      7.085 ppm2      2.509
 ASSI { 1567}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      2.800     1.000     1.000 peak  1567 weight   .10000E+01 volume   .31109E+00 ppm1      7.085 ppm2      2.334
 ASSI { 1568}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700      .900      .900 peak  1568 weight   .10000E+01 volume   .40881E+00 ppm1      7.086 ppm2      1.757
 OR { 1568}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 1581}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak  1581 weight   .10000E+01 volume   .84540E-01 ppm1      9.117 ppm2      8.553
 ASSI { 1583}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HD1 ))
      3.300     1.400     1.400 peak  1583 weight   .10000E+01 volume   .13637E+00 ppm1      9.117 ppm2      7.511
 ASSI { 1584}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HE3 ))
      3.400     1.400     1.400 peak  1584 weight   .10000E+01 volume   .11202E+00 ppm1      9.116 ppm2      7.112
 ASSI { 1585}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1585 weight   .10000E+01 volume   .16990E+00 ppm1      9.115 ppm2      4.735
 ASSI { 1586}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.400     1.400 peak  1586 weight   .10000E+01 volume   .12127E+00 ppm1      9.116 ppm2      4.235
 ASSI { 1587}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak  1587 weight   .10000E+01 volume   .11799E+00 ppm1      9.116 ppm2      3.956
 ASSI { 1588}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.700      .900      .900 peak  1588 weight   .10000E+01 volume   .41769E+00 ppm1      9.116 ppm2      3.684
 ASSI { 1589}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.000     1.100     1.100 peak  1589 weight   .10000E+01 volume   .24356E+00 ppm1      9.119 ppm2      3.516
 ASSI { 1591}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      2.400      .700      .700 peak  1591 weight   .10000E+01 volume   .85352E+00 ppm1      9.117 ppm2      1.995
 ASSI { 1592}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      2.800     1.000     1.000 peak  1592 weight   .10000E+01 volume   .31130E+00 ppm1      9.116 ppm2      1.813
 ASSI { 1597}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak  1597 weight   .10000E+01 volume   .78060E-01 ppm1      8.489 ppm2      7.739
 ASSI { 1599}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1599 weight   .10000E+01 volume   .14124E+00 ppm1      8.486 ppm2      7.389
 ASSI { 1601}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700      .900      .900 peak  1601 weight   .10000E+01 volume   .43787E+00 ppm1      8.487 ppm2      4.539
 ASSI { 1602}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  1602 weight   .10000E+01 volume   .16773E+00 ppm1      8.487 ppm2      3.686
 ASSI { 1603}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.900     1.100     1.100 peak  1603 weight   .10000E+01 volume   .27688E+00 ppm1      8.488 ppm2      2.137
 ASSI { 1604}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      2.800     1.000     1.000 peak  1604 weight   .10000E+01 volume   .32312E+00 ppm1      8.487 ppm2      2.040
 ASSI { 1605}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.300      .700      .700 peak  1605 weight   .10000E+01 volume   .10831E+01 ppm1      8.487 ppm2      1.879
 ASSI { 1606}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.400     1.400     1.400 peak  1606 weight   .10000E+01 volume   .96540E-01 ppm1      8.486 ppm2      1.294
 ASSI { 1607}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.600      .800      .800 peak  1607 weight   .10000E+01 volume   .53754E+00 ppm1      8.487 ppm2       .956
 ASSI { 1613}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700      .900      .900 peak  1613 weight   .10000E+01 volume   .39906E+00 ppm1      8.243 ppm2      7.080
 ASSI { 1615}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     3.000     1.500 peak  1615 weight   .10000E+01 volume   .23623E+00 ppm1      8.242 ppm2      4.539
 ASSI { 1616}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.600      .800      .800 peak  1616 weight   .10000E+01 volume   .56782E+00 ppm1      8.243 ppm2      3.941
 ASSI { 1620}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.500     1.500 peak  1620 weight   .10000E+01 volume   .89350E-01 ppm1      7.392 ppm2      4.087
 ASSI { 1637}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  1637 weight   .10000E+01 volume   .32741E+00 ppm1      8.243 ppm2      8.628
 ASSI { 1638}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1638 weight   .10000E+01 volume   .14288E+00 ppm1      8.242 ppm2      7.390
 ASSI { 1640}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.400     1.400     1.400 peak  1640 weight   .10000E+01 volume   .97820E-01 ppm1      8.242 ppm2      2.499
 ASSI { 1641}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.000     1.100     1.100 peak  1641 weight   .10000E+01 volume   .20552E+00 ppm1      8.242 ppm2      1.294
 ASSI { 1642}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.400     1.400 peak  1642 weight   .10000E+01 volume   .99930E-01 ppm1      7.862 ppm2      9.407
 ASSI { 1644}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak  1644 weight   .10000E+01 volume   .79950E-01 ppm1      7.862 ppm2      7.545
 ASSI { 1645}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  1645 weight   .10000E+01 volume   .15354E+00 ppm1      7.859 ppm2      4.402
 ASSI { 1646}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  1646 weight   .10000E+01 volume   .31450E+00 ppm1      7.859 ppm2      4.043
 ASSI { 1647}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.100     1.100 peak  1647 weight   .10000E+01 volume   .24927E+00 ppm1      7.861 ppm2      3.512
 ASSI { 1648}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak  1648 weight   .10000E+01 volume   .24668E+00 ppm1      7.861 ppm2      3.218
 ASSI { 1649}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.100     1.200     1.200 peak  1649 weight   .10000E+01 volume   .18850E+00 ppm1      7.860 ppm2      2.675
 ASSI { 1650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.300      .700      .700 peak  1650 weight   .10000E+01 volume   .10492E+01 ppm1      7.862 ppm2      2.154
 OR { 1650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1652}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      2.600      .800      .800 peak  1652 weight   .10000E+01 volume   .57648E+00 ppm1      7.861 ppm2      1.219
 ASSI { 1653}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      2.700      .900      .900 peak  1653 weight   .10000E+01 volume   .45710E+00 ppm1      7.860 ppm2      1.089
 ASSI { 1655}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.400     1.400     1.400 peak  1655 weight   .10000E+01 volume   .10264E+00 ppm1      7.861 ppm2       .605
 ASSI { 1656}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak  1656 weight   .10000E+01 volume   .82500E-01 ppm1      7.857 ppm2      8.292
 ASSI { 1658}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.500     1.500     1.500 peak  1658 weight   .10000E+01 volume   .94030E-01 ppm1      7.855 ppm2       .367
 ASSI { 1660}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
      3.400     1.400     1.400 peak  1660 weight   .10000E+01 volume   .11355E+00 ppm1      7.688 ppm2      1.113
 ASSI { 1664}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  1664 weight   .10000E+01 volume   .14063E+00 ppm1      7.550 ppm2      7.120
 ASSI { 1665}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak  1665 weight   .10000E+01 volume   .95290E-01 ppm1      7.549 ppm2      4.415
 ASSI { 1666}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400      .700      .700 peak  1666 weight   .10000E+01 volume   .74908E+00 ppm1      7.551 ppm2      4.198
 ASSI { 1667}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  1667 weight   .10000E+01 volume   .19929E+00 ppm1      7.549 ppm2      4.050
 ASSI { 1669}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      2.500      .800      .800 peak  1669 weight   .10000E+01 volume   .64902E+00 ppm1      7.551 ppm2      1.848
 ASSI { 1670}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600      .800      .800 peak  1670 weight   .10000E+01 volume   .56168E+00 ppm1      7.550 ppm2      1.774
 ASSI { 1671}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.500      .800      .800 peak  1671 weight   .10000E+01 volume   .70400E+00 ppm1      7.551 ppm2      1.577
 ASSI { 1672}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     2.600     1.900 peak  1672 weight   .10000E+01 volume   .49447E+00 ppm1      7.550 ppm2      1.323
 ASSI { 1674}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      2.700      .900      .900 peak  1674 weight   .10000E+01 volume   .45482E+00 ppm1      7.552 ppm2       .856
 ASSI { 1675}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      2.700      .900      .900 peak  1675 weight   .10000E+01 volume   .42180E+00 ppm1      7.551 ppm2       .757
 ASSI { 1676}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      3.400     1.400     1.400 peak  1676 weight   .10000E+01 volume   .11378E+00 ppm1      7.553 ppm2       .337
 ASSI { 1678}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak  1678 weight   .10000E+01 volume   .24164E+00 ppm1      6.852 ppm2      8.124
 ASSI { 1681}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.500      .800      .800 peak  1681 weight   .10000E+01 volume   .64037E+00 ppm1      6.852 ppm2      4.238
 ASSI { 1682}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      2.800     1.000     1.000 peak  1682 weight   .10000E+01 volume   .32772E+00 ppm1      6.852 ppm2      3.982
 ASSI { 1684}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500      .800      .800 peak  1684 weight   .10000E+01 volume   .61540E+00 ppm1      6.852 ppm2      1.572
 ASSI { 1685}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.300      .700      .700 peak  1685 weight   .10000E+01 volume   .10035E+01 ppm1      6.852 ppm2      1.369
 ASSI { 1686}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      2.600     2.600     1.900 peak  1686 weight   .10000E+01 volume   .53544E+00 ppm1      6.851 ppm2       .643
 ASSI { 1687}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      2.700      .900      .900 peak  1687 weight   .10000E+01 volume   .41322E+00 ppm1      6.852 ppm2       .289
 OR { 1687}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1690}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak  1690 weight   .10000E+01 volume   .98200E-01 ppm1      8.445 ppm2      4.445
 ASSI { 1704}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak  1704 weight   .10000E+01 volume   .14118E+00 ppm1      7.659 ppm2      4.126
 ASSI { 1725}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      3.400     1.400     1.400 peak  1725 weight   .10000E+01 volume   .11170E+00 ppm1      8.780 ppm2       .384
 ASSI { 1728}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  1728 weight   .10000E+01 volume   .30389E+00 ppm1      8.777 ppm2      7.602
 ASSI { 1729}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.300      .700      .700 peak  1729 weight   .10000E+01 volume   .96670E+00 ppm1      8.777 ppm2      4.764
 ASSI { 1730}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak  1730 weight   .10000E+01 volume   .16954E+00 ppm1      8.776 ppm2      3.748
 ASSI { 1732}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
      3.600     1.600     1.600 peak  1732 weight   .10000E+01 volume   .80030E-01 ppm1      8.778 ppm2      3.129
 OR { 1732}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1733}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.700      .900      .900 peak  1733 weight   .10000E+01 volume   .43611E+00 ppm1      8.778 ppm2      2.700
 OR { 1733}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1734}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300      .700      .700 peak  1734 weight   .10000E+01 volume   .12102E+01 ppm1      8.777 ppm2      2.168
 OR { 1734}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI { 1735}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700      .900      .900 peak  1735 weight   .10000E+01 volume   .37715E+00 ppm1      8.777 ppm2      1.963
 ASSI { 1736}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.800     1.000     1.000 peak  1736 weight   .10000E+01 volume   .31355E+00 ppm1      8.777 ppm2      1.813
 ASSI { 1737}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.400     1.400     1.400 peak  1737 weight   .10000E+01 volume   .11292E+00 ppm1      8.777 ppm2      1.271
 OR { 1737}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1742}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700      .900      .900 peak  1742 weight   .10000E+01 volume   .42667E+00 ppm1      8.421 ppm2      4.252
 ASSI { 1743}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.800     1.000     1.000 peak  1743 weight   .10000E+01 volume   .32955E+00 ppm1      8.421 ppm2      3.658
 ASSI { 1744}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak  1744 weight   .10000E+01 volume   .11670E+00 ppm1      8.422 ppm2      3.457
 ASSI { 1745}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak  1745 weight   .10000E+01 volume   .18086E+00 ppm1      8.422 ppm2      1.649
 ASSI { 1746}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      2.700     2.700     1.800 peak  1746 weight   .10000E+01 volume   .43913E+00 ppm1      8.422 ppm2      1.218
 ASSI { 1747}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.300     1.400     1.400 peak  1747 weight   .10000E+01 volume   .12853E+00 ppm1      8.421 ppm2      1.013
 ASSI { 1749}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.400     1.400     1.400 peak  1749 weight   .10000E+01 volume   .11316E+00 ppm1      8.421 ppm2       .726
 ASSI { 1753}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak  1753 weight   .10000E+01 volume   .18161E+00 ppm1      8.419 ppm2      1.379
 ASSI { 1765}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  1765 weight   .10000E+01 volume   .14490E+00 ppm1      7.690 ppm2      9.181
 ASSI { 1766}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      2.800     2.800     1.700 peak  1766 weight   .10000E+01 volume   .36794E+00 ppm1      7.688 ppm2      7.010
 ASSI { 1768}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak  1768 weight   .10000E+01 volume   .34504E+00 ppm1      7.687 ppm2      4.978
 ASSI { 1771}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.700      .900      .900 peak  1771 weight   .10000E+01 volume   .45324E+00 ppm1      7.688 ppm2      2.468
 ASSI { 1773}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak  1773 weight   .10000E+01 volume   .21780E+00 ppm1      7.689 ppm2      1.966
 ASSI { 1774}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      2.800     1.000     1.000 peak  1774 weight   .10000E+01 volume   .32798E+00 ppm1      7.689 ppm2      1.583
 ASSI { 1775}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      2.900     2.900     1.600 peak  1775 weight   .10000E+01 volume   .29976E+00 ppm1      7.688 ppm2      1.317
 ASSI { 1782}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  1782 weight   .10000E+01 volume   .19004E+00 ppm1      7.453 ppm2      8.084
 ASSI { 1784}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak  1784 weight   .10000E+01 volume   .26684E+00 ppm1      7.453 ppm2      7.152
 ASSI { 1786}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     2.400     2.100 peak  1786 weight   .10000E+01 volume   .77632E+00 ppm1      7.453 ppm2      4.775
 ASSI { 1787}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.600      .800      .800 peak  1787 weight   .10000E+01 volume   .57252E+00 ppm1      7.452 ppm2      4.423
 ASSI { 1788}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  1788 weight   .10000E+01 volume   .20986E+00 ppm1      7.454 ppm2      4.091
 ASSI { 1789}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  1789 weight   .10000E+01 volume   .16128E+00 ppm1      7.455 ppm2      3.559
 ASSI { 1790}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500      .800      .800 peak  1790 weight   .10000E+01 volume   .67720E+00 ppm1      7.452 ppm2      3.289
 ASSI { 1791}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak  1791 weight   .10000E+01 volume   .23298E+00 ppm1      7.453 ppm2      2.892
 ASSI { 1792}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.000     1.100     1.100 peak  1792 weight   .10000E+01 volume   .22518E+00 ppm1      7.455 ppm2      2.725
 ASSI { 1793}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      3.400     1.400     1.400 peak  1793 weight   .10000E+01 volume   .10499E+00 ppm1      7.460 ppm2      1.574
 ASSI { 1795}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      3.100     1.200     1.200 peak  1795 weight   .10000E+01 volume   .18893E+00 ppm1      7.454 ppm2       .432
 ASSI { 1798}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak  1798 weight   .10000E+01 volume   .17145E+00 ppm1      7.447 ppm2      3.883
 ASSI { 1799}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak  1799 weight   .10000E+01 volume   .83030E-01 ppm1      7.447 ppm2      1.959
 ASSI { 1800}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.100     3.100     1.400 peak  1800 weight   .10000E+01 volume   .17093E+00 ppm1      7.449 ppm2       .922
 OR { 1800}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1809}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      2.600      .800      .800 peak  1809 weight   .10000E+01 volume   .47758E+00 ppm1      6.851 ppm2      3.886
 ASSI { 1810}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.400     1.400     1.400 peak  1810 weight   .10000E+01 volume   .96280E-01 ppm1      6.851 ppm2      1.229
 ASSI { 1883}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.700      .900      .900 peak  1883 weight   .10000E+01 volume   .38715E+00 ppm1      9.180 ppm2      4.110
 ASSI { 1884}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak  1884 weight   .10000E+01 volume   .81190E-01 ppm1      9.182 ppm2      3.546
 ASSI { 1887}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.800     1.000     1.000 peak  1887 weight   .10000E+01 volume   .35655E+00 ppm1      9.179 ppm2      1.845
 ASSI { 1888}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.600      .800      .800 peak  1888 weight   .10000E+01 volume   .46778E+00 ppm1      9.180 ppm2      1.583
 OR { 1888}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 1889}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      3.000     1.100     1.100 peak  1889 weight   .10000E+01 volume   .23251E+00 ppm1      9.179 ppm2      1.323
 ASSI { 1891}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak  1891 weight   .10000E+01 volume   .28293E+00 ppm1      8.615 ppm2      7.742
 ASSI { 1892}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  1892 weight   .10000E+01 volume   .15579E+00 ppm1      8.615 ppm2      5.122
 ASSI { 1893}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      1.900     1.900     2.600 peak  1893 weight   .10000E+01 volume   .30090E+01 ppm1      8.615 ppm2      4.773
 ASSI { 1894}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak  1894 weight   .10000E+01 volume   .23608E+00 ppm1      8.615 ppm2      4.597
 ASSI { 1895}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak  1895 weight   .10000E+01 volume   .80630E-01 ppm1      8.613 ppm2      4.087
 ASSI { 1896}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      3.100     1.200     1.200 peak  1896 weight   .10000E+01 volume   .16941E+00 ppm1      8.614 ppm2      3.723
 ASSI { 1897}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.400     1.400     1.400 peak  1897 weight   .10000E+01 volume   .10953E+00 ppm1      8.615 ppm2      3.479
 ASSI { 1898}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.100     1.100 peak  1898 weight   .10000E+01 volume   .29095E+00 ppm1      8.615 ppm2      2.917
 OR { 1898}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1899}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak  1899 weight   .10000E+01 volume   .90500E-01 ppm1      8.615 ppm2      2.546
 OR { 1899}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1900}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.100     1.200     1.200 peak  1900 weight   .10000E+01 volume   .18973E+00 ppm1      8.615 ppm2      2.146
 OR { 1900}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1902}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak  1902 weight   .10000E+01 volume   .10701E+00 ppm1      8.425 ppm2      6.845
 ASSI { 1909}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  1909 weight   .10000E+01 volume   .19569E+00 ppm1      8.020 ppm2      7.710
 ASSI { 1911}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak  1911 weight   .10000E+01 volume   .15111E+00 ppm1      8.021 ppm2      4.418
 ASSI { 1912}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  1912 weight   .10000E+01 volume   .12418E+00 ppm1      8.022 ppm2      4.080
 ASSI { 1913}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak  1913 weight   .10000E+01 volume   .20793E+00 ppm1      8.021 ppm2      3.638
 ASSI { 1914}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak  1914 weight   .10000E+01 volume   .18785E+00 ppm1      8.021 ppm2      3.378
 ASSI { 1915}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak  1915 weight   .10000E+01 volume   .19061E+00 ppm1      8.022 ppm2      2.934
 ASSI { 1916}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      2.900     2.900     1.600 peak  1916 weight   .10000E+01 volume   .27181E+00 ppm1      8.021 ppm2      1.857
 ASSI { 1917}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak  1917 weight   .10000E+01 volume   .22573E+00 ppm1      8.021 ppm2      1.646
 ASSI { 1918}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak  1918 weight   .10000E+01 volume   .22480E+00 ppm1      8.019 ppm2      1.379
 ASSI { 1919}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      3.400     1.400     1.400 peak  1919 weight   .10000E+01 volume   .10800E+00 ppm1      8.021 ppm2      1.007
 ASSI { 1920}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.000     1.100     1.100 peak  1920 weight   .10000E+01 volume   .23750E+00 ppm1      8.022 ppm2       .879
 ASSI { 1921}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      2.900     2.900     1.600 peak  1921 weight   .10000E+01 volume   .25830E+00 ppm1      8.021 ppm2       .722
 ASSI { 1922}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HD2%)
      3.400     1.400     1.400 peak  1922 weight   .10000E+01 volume   .10990E+00 ppm1      8.022 ppm2       .591
 OR { 1922}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2022}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak  2022 weight   .10000E+01 volume   .21623E+00 ppm1      8.278 ppm2      7.151
 ASSI { 2023}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600      .800      .800 peak  2023 weight   .10000E+01 volume   .49388E+00 ppm1      8.276 ppm2      4.968
 ASSI { 2024}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak  2024 weight   .10000E+01 volume   .29166E+00 ppm1      8.276 ppm2      3.799
 ASSI { 2025}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak  2025 weight   .10000E+01 volume   .34707E+00 ppm1      8.276 ppm2      3.022
 ASSI { 2026}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.700      .900      .900 peak  2026 weight   .10000E+01 volume   .40329E+00 ppm1      8.276 ppm2      2.670
 ASSI { 2027}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      3.000     1.100     1.100 peak  2027 weight   .10000E+01 volume   .20637E+00 ppm1      8.277 ppm2      2.266
 OR { 2027}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI { 2029}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.600     1.600     1.600 peak  2029 weight   .10000E+01 volume   .79060E-01 ppm1      8.274 ppm2      1.582
 ASSI { 2032}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak  2032 weight   .10000E+01 volume   .14325E+00 ppm1      7.741 ppm2      4.087
 ASSI { 2043}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.500     1.500     1.500 peak  2043 weight   .10000E+01 volume   .91840E-01 ppm1      7.148 ppm2      4.420
 ASSI { 2044}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  2044 weight   .10000E+01 volume   .17558E+00 ppm1      7.147 ppm2      4.240
 ASSI { 2045}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  2045 weight   .10000E+01 volume   .14725E+00 ppm1      7.145 ppm2      4.089
 ASSI { 2046}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.500      .800      .800 peak  2046 weight   .10000E+01 volume   .68031E+00 ppm1      7.147 ppm2      3.797
 ASSI { 2047}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG1 ))
      2.400     2.400     2.100 peak  2047 weight   .10000E+01 volume   .77097E+00 ppm1      7.147 ppm2      2.267
 OR { 2047}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI { 2048}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400      .700      .700 peak  2048 weight   .10000E+01 volume   .78811E+00 ppm1      7.147 ppm2      1.988
 ASSI { 2049}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  2049 weight   .10000E+01 volume   .15437E+00 ppm1      7.146 ppm2      1.688
 ASSI { 2050}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      3.300     1.400     1.400 peak  2050 weight   .10000E+01 volume   .12383E+00 ppm1      7.146 ppm2      1.559
 ASSI { 2051}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     3.000     1.500 peak  2051 weight   .10000E+01 volume   .20960E+00 ppm1      7.146 ppm2      1.391
 ASSI { 2058}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 56   and name HZ2 ))
      3.200     1.300     1.300 peak  2058 weight   .10000E+01 volume   .14292E+00 ppm1      6.786 ppm2      7.113
 OR { 2058}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 56   and name HH2 ))
 ASSI { 2060}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HE21))
      2.000      .500      .500 peak  2060 weight   .10000E+01 volume   .25988E+01 ppm1      6.786 ppm2      5.968
 ASSI { 2062}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak  2062 weight   .10000E+01 volume   .14687E+00 ppm1      6.786 ppm2      3.707
 ASSI { 2064}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HB2 ))
      3.000     1.100     1.100 peak  2064 weight   .10000E+01 volume   .22455E+00 ppm1      6.785 ppm2      1.905
 ASSI { 2066}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HG2 ))
      2.800     1.000     1.000 peak  2066 weight   .10000E+01 volume   .34448E+00 ppm1      6.785 ppm2      1.456
 ASSI { 2075}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  2075 weight   .10000E+01 volume   .19837E+00 ppm1      5.968 ppm2      3.707
 ASSI { 2076}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak  2076 weight   .10000E+01 volume   .29225E+00 ppm1      5.969 ppm2      1.904
 ASSI { 2077}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 60   and name HG2 ))
      2.600      .800      .800 peak  2077 weight   .10000E+01 volume   .51556E+00 ppm1      5.969 ppm2      1.458
 ASSI { 2082}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 56   and name HZ2 ))
      3.200     1.300     1.300 peak  2082 weight   .10000E+01 volume   .14241E+00 ppm1      5.967 ppm2      7.112
 OR { 2082}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 56   and name HE3 ))
 ASSI { 2085}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.500     1.500 peak  2085 weight   .10000E+01 volume   .85580E-01 ppm1      5.966 ppm2      4.232
 ASSI { 2103}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700      .900      .900 peak  2103 weight   .10000E+01 volume   .41600E+00 ppm1      8.084 ppm2      3.287
 OR { 2103}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2104}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
      2.900     1.100     1.100 peak  2104 weight   .10000E+01 volume   .26757E+00 ppm1      8.083 ppm2      2.262
 ASSI { 2106}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      3.300     1.400     1.400 peak  2106 weight   .10000E+01 volume   .13578E+00 ppm1      8.084 ppm2       .430
 ASSI { 2113}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak  2113 weight   .10000E+01 volume   .97930E-01 ppm1      7.741 ppm2      5.121
 ASSI { 2114}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300      .700      .700 peak  2114 weight   .10000E+01 volume   .10686E+01 ppm1      7.740 ppm2      4.780
 ASSI { 2115}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak  2115 weight   .10000E+01 volume   .20899E+00 ppm1      7.741 ppm2      4.596
 ASSI { 2116}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.300     1.400     1.400 peak  2116 weight   .10000E+01 volume   .11512E+00 ppm1      7.742 ppm2      3.690
 ASSI { 2117}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.500      .800      .800 peak  2117 weight   .10000E+01 volume   .68780E+00 ppm1      7.741 ppm2      3.090
 ASSI { 2118}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.200     1.300     1.300 peak  2118 weight   .10000E+01 volume   .15556E+00 ppm1      7.739 ppm2      2.912
 OR { 2118}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 2119}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak  2119 weight   .10000E+01 volume   .20914E+00 ppm1      7.740 ppm2      2.548
 OR { 2119}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 2120}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.100     1.200     1.200 peak  2120 weight   .10000E+01 volume   .18827E+00 ppm1      7.740 ppm2      1.920
 ASSI { 2126}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.300     1.400     1.400 peak  2126 weight   .10000E+01 volume   .13228E+00 ppm1      7.741 ppm2       .722
 ASSI { 2153}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.500      .800      .800 peak  2153 weight   .10000E+01 volume   .61320E+00 ppm1      8.084 ppm2      4.782
 ASSI { 2155}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak  2155 weight   .10000E+01 volume   .24688E+00 ppm1      8.090 ppm2      3.870
 ASSI { 2156}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.900     1.100     1.100 peak  2156 weight   .10000E+01 volume   .27897E+00 ppm1      8.086 ppm2      3.530
 ASSI { 2158}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
      3.300     1.400     1.400 peak  2158 weight   .10000E+01 volume   .12924E+00 ppm1      8.086 ppm2      2.134
 ASSI { 2159}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak  2159 weight   .10000E+01 volume   .21869E+00 ppm1      8.083 ppm2      1.938
 OR { 2159}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2161}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.100     1.200     1.200 peak  2161 weight   .10000E+01 volume   .17166E+00 ppm1      8.085 ppm2       .922
 OR { 2161}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 2162}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 7    and name HG  ))
      3.200     1.300     1.300 peak  2162 weight   .10000E+01 volume   .14100E+00 ppm1      8.085 ppm2       .755
 ASSI { 2163}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.500     1.500     1.500 peak  2163 weight   .10000E+01 volume   .85840E-01 ppm1      8.090 ppm2       .585
 OR { 2163}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 7    and name HD2%)
 ASSI { 2175}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  2175 weight   .10000E+01 volume   .16673E+00 ppm1      8.645 ppm2      4.866
 ASSI { 2215}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.300     1.400     1.400 peak  2215 weight   .10000E+01 volume   .12392E+00 ppm1      8.646 ppm2      4.061
 ASSI { 2216}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.400     1.400 peak  2216 weight   .10000E+01 volume   .99170E-01 ppm1      8.644 ppm2      2.812
 OR { 2216}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2217}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.500     1.500     1.500 peak  2217 weight   .10000E+01 volume   .87610E-01 ppm1      8.646 ppm2      2.425
 OR { 2217}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2223}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600      .800      .800 peak  2223 weight   .10000E+01 volume   .54892E+00 ppm1      8.129 ppm2      5.121
 ASSI { 2224}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.700      .900      .900 peak  2224 weight   .10000E+01 volume   .41488E+00 ppm1      8.128 ppm2      4.289
 ASSI { 2225}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak  2225 weight   .10000E+01 volume   .78480E-01 ppm1      8.129 ppm2      4.099
 ASSI { 2226}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.700      .900      .900 peak  2226 weight   .10000E+01 volume   .46048E+00 ppm1      8.128 ppm2      3.885
 ASSI { 2227}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.700     2.700     1.800 peak  2227 weight   .10000E+01 volume   .42390E+00 ppm1      8.129 ppm2      3.704
 ASSI { 2228}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      2.700      .900      .900 peak  2228 weight   .10000E+01 volume   .40662E+00 ppm1      8.129 ppm2      3.484
 ASSI { 2229}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700      .900      .900 peak  2229 weight   .10000E+01 volume   .44593E+00 ppm1      8.129 ppm2      2.549
 OR { 2229}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2231}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     2.900     1.600 peak  2231 weight   .10000E+01 volume   .24533E+00 ppm1      8.127 ppm2      1.577
 ASSI { 2232}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.700      .900      .900 peak  2232 weight   .10000E+01 volume   .41324E+00 ppm1      8.128 ppm2      1.373
 ASSI { 2233}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.300     1.400     1.400 peak  2233 weight   .10000E+01 volume   .13402E+00 ppm1      8.128 ppm2      1.221
 ASSI { 2236}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.300     1.400     1.400 peak  2236 weight   .10000E+01 volume   .12955E+00 ppm1      8.129 ppm2       .289
 OR { 2236}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2238}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.400     1.400 peak  2238 weight   .10000E+01 volume   .13091E+00 ppm1      7.587 ppm2      8.281
 ASSI { 2240}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 26   and name HE21))
      1.800      .400      .400 peak  2240 weight   .10000E+01 volume   .46658E+01 ppm1      7.586 ppm2      7.004
 ASSI { 2241}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HD21))
      1.800      .400      .400 peak  2241 weight   .10000E+01 volume   .47845E+01 ppm1      7.587 ppm2      6.886
 ASSI { 2242}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak  2242 weight   .10000E+01 volume   .14424E+00 ppm1      7.588 ppm2      4.969
 ASSI { 2244}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak  2244 weight   .10000E+01 volume   .11051E+00 ppm1      7.588 ppm2      4.556
 ASSI { 2245}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak  2245 weight   .10000E+01 volume   .89880E-01 ppm1      7.584 ppm2      4.424
 ASSI { 2246}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak  2246 weight   .10000E+01 volume   .10861E+00 ppm1      7.587 ppm2      4.179
 ASSI { 2247}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 25   and name HB1 ))
      3.500     1.500     1.500 peak  2247 weight   .10000E+01 volume   .89570E-01 ppm1      7.587 ppm2      3.902
 ASSI { 2248}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HB2 ))
      2.600      .800      .800 peak  2248 weight   .10000E+01 volume   .55987E+00 ppm1      7.588 ppm2      3.021
 ASSI { 2249}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 36   and name HB1 ))
      2.500      .800      .800 peak  2249 weight   .10000E+01 volume   .73031E+00 ppm1      7.588 ppm2      2.669
 ASSI { 2250}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 26   and name HG2 ))
      2.700      .900      .900 peak  2250 weight   .10000E+01 volume   .41414E+00 ppm1      7.586 ppm2      2.495
 ASSI { 2251}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 26   and name HG1 ))
      2.700      .900      .900 peak  2251 weight   .10000E+01 volume   .45415E+00 ppm1      7.585 ppm2      2.332
 ASSI { 2252}
   (( segid "    " and resid 36   and name HD22))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.400     1.400 peak  2252 weight   .10000E+01 volume   .11208E+00 ppm1      7.586 ppm2      2.001
 ASSI { 2253}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak  2253 weight   .10000E+01 volume   .15541E+00 ppm1      7.586 ppm2      1.759
 OR { 2253}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 2254}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 45   and name HG  ))
      3.000     1.100     1.100 peak  2254 weight   .10000E+01 volume   .21462E+00 ppm1      7.586 ppm2       .856
 ASSI { 2263}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak  2263 weight   .10000E+01 volume   .10814E+00 ppm1      7.009 ppm2      4.559
 ASSI { 2264}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  2264 weight   .10000E+01 volume   .14180E+00 ppm1      7.010 ppm2      4.189
 ASSI { 2265}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 26   and name HG2 ))
      2.800     1.000     1.000 peak  2265 weight   .10000E+01 volume   .30101E+00 ppm1      7.009 ppm2      2.497
 ASSI { 2266}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 26   and name HG1 ))
      2.800     1.000     1.000 peak  2266 weight   .10000E+01 volume   .35673E+00 ppm1      7.010 ppm2      2.339
 ASSI { 2267}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 26   and name HB1 ))
      3.300     1.400     1.400 peak  2267 weight   .10000E+01 volume   .13079E+00 ppm1      7.011 ppm2      1.755
 OR { 2267}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 2268}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HB1 ))
      3.500     1.500     1.500 peak  2268 weight   .10000E+01 volume   .86420E-01 ppm1      7.012 ppm2      1.334
 ASSI { 2269}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HG  ))
      3.000     1.100     1.100 peak  2269 weight   .10000E+01 volume   .20456E+00 ppm1      7.011 ppm2       .859
 ASSI { 2270}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak  2270 weight   .10000E+01 volume   .81020E-01 ppm1      6.896 ppm2      8.284
 ASSI { 2273}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak  2273 weight   .10000E+01 volume   .10289E+00 ppm1      6.894 ppm2      4.970
 ASSI { 2275}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     2.800     1.700 peak  2275 weight   .10000E+01 volume   .35638E+00 ppm1      6.894 ppm2      3.023
 ASSI { 2276}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 36   and name HB1 ))
      2.600      .800      .800 peak  2276 weight   .10000E+01 volume   .54128E+00 ppm1      6.894 ppm2      2.669
 ASSI { 2277}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 35   and name HG1 ))
      3.300     1.400     1.400 peak  2277 weight   .10000E+01 volume   .13433E+00 ppm1      6.895 ppm2      2.264
 OR { 2277}
   (( segid "    " and resid 36   and name HD21))
   (( segid "    " and resid 35   and name HG2 ))
 ASSI { 2294}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak  2294 weight   .10000E+01 volume   .84850E-01 ppm1      9.412 ppm2      8.270
 ASSI { 2298}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.300      .700      .700 peak  2298 weight   .10000E+01 volume   .10578E+01 ppm1      9.409 ppm2      4.705
 ASSI { 2300}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700      .900      .900 peak  2300 weight   .10000E+01 volume   .41124E+00 ppm1      9.409 ppm2      3.221
 ASSI { 2301}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.800     1.000     1.000 peak  2301 weight   .10000E+01 volume   .35255E+00 ppm1      9.409 ppm2      2.677
 ASSI { 2302}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.800     2.800     1.700 peak  2302 weight   .10000E+01 volume   .31919E+00 ppm1      9.410 ppm2      1.990
 ASSI { 2303}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.900     1.100     1.100 peak  2303 weight   .10000E+01 volume   .27693E+00 ppm1      9.410 ppm2      1.595
 ASSI { 2304}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     2.400     2.100 peak  2304 weight   .10000E+01 volume   .75011E+00 ppm1      9.410 ppm2      1.414
 ASSI { 2306}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      2.500      .800      .800 peak  2306 weight   .10000E+01 volume   .59521E+00 ppm1      9.410 ppm2       .956
 ASSI { 2313}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak  2313 weight   .10000E+01 volume   .14661E+00 ppm1      8.631 ppm2      7.088
 ASSI { 2314}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak  2314 weight   .10000E+01 volume   .30914E+00 ppm1      8.632 ppm2      4.530
 ASSI { 2315}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak  2315 weight   .10000E+01 volume   .23045E+00 ppm1      8.632 ppm2      4.439
 ASSI { 2317}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak  2317 weight   .10000E+01 volume   .34903E+00 ppm1      8.632 ppm2      3.797
 ASSI { 2318}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak  2318 weight   .10000E+01 volume   .34951E+00 ppm1      8.634 ppm2      3.663
 ASSI { 2319}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.700      .900      .900 peak  2319 weight   .10000E+01 volume   .39119E+00 ppm1      8.634 ppm2      3.195
 ASSI { 2321}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.300      .700      .700 peak  2321 weight   .10000E+01 volume   .10557E+01 ppm1      8.633 ppm2      1.296
 ASSI { 2332}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.200     1.300     1.300 peak  2332 weight   .10000E+01 volume   .15923E+00 ppm1      7.400 ppm2      4.778
 ASSI { 2333}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak  2333 weight   .10000E+01 volume   .35013E+00 ppm1      7.402 ppm2      4.446
 ASSI { 2334}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  2334 weight   .10000E+01 volume   .18636E+00 ppm1      7.403 ppm2      4.145
 ASSI { 2335}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700      .900      .900 peak  2335 weight   .10000E+01 volume   .40348E+00 ppm1      7.401 ppm2      3.665
 ASSI { 2336}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.700      .900      .900 peak  2336 weight   .10000E+01 volume   .43532E+00 ppm1      7.402 ppm2      3.195
 ASSI { 2337}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak  2337 weight   .10000E+01 volume   .19191E+00 ppm1      7.404 ppm2      2.816
 ASSI { 2338}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.100     1.100 peak  2338 weight   .10000E+01 volume   .24722E+00 ppm1      7.402 ppm2      2.481
 ASSI { 2345}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      3.400     1.400     1.400 peak  2345 weight   .10000E+01 volume   .11227E+00 ppm1      7.400 ppm2       .330
 ASSI { 2369}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HD21))
      2.200      .600      .600 peak  2369 weight   .10000E+01 volume   .14420E+01 ppm1      7.802 ppm2      6.282
 ASSI { 2371}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HB1 ))
      2.700      .900      .900 peak  2371 weight   .10000E+01 volume   .37758E+00 ppm1      7.802 ppm2      2.933
 OR { 2371}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2377}
   (( segid "    " and resid 18   and name HD21))
   (( segid "    " and resid 18   and name HB1 ))
      2.900     1.100     1.100 peak  2377 weight   .10000E+01 volume   .25703E+00 ppm1      6.277 ppm2      2.931
 OR { 2377}
   (( segid "    " and resid 18   and name HD21))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 2434}
   (( segid "    " and resid 64   and name HE22))
   (( segid "    " and resid 64   and name HE21))
      1.600      .300      .600 peak  2434 weight   .10000E+01 volume   .11197E+02 ppm1      7.468 ppm2      6.805
 ASSI { 2435}
   (( segid "    " and resid 64   and name HE22))
   (( segid "    " and resid 64   and name HG1 ))
      2.700      .900      .900 peak  2435 weight   .10000E+01 volume   .38564E+00 ppm1      7.468 ppm2      2.383
 OR { 2435}
   (( segid "    " and resid 64   and name HE22))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2445}
   (( segid "    " and resid 64   and name HE21))
   (( segid "    " and resid 64   and name HG1 ))
      2.900     1.100     1.100 peak  2445 weight   .10000E+01 volume   .27745E+00 ppm1      6.805 ppm2      2.382
 OR { 2445}
   (( segid "    " and resid 64   and name HE21))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2520}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  2520 weight   .10000E+01 volume   .11381E+00 ppm1      8.295 ppm2      7.786
 ASSI { 2524}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700      .900      .900 peak  2524 weight   .10000E+01 volume   .45415E+00 ppm1      8.295 ppm2      4.249
 ASSI { 2525}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      2.300      .700      .700 peak  2525 weight   .10000E+01 volume   .10595E+01 ppm1      8.295 ppm2      3.988
 ASSI { 2527}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.500     1.500 peak  2527 weight   .10000E+01 volume   .82680E-01 ppm1      8.296 ppm2      1.578
 ASSI { 2531}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      2.300      .700      .700 peak  2531 weight   .10000E+01 volume   .98135E+00 ppm1      8.295 ppm2      3.881
 ASSI { 2546}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HE21))
      1.700      .400      .500 peak  2546 weight   .10000E+01 volume   .74263E+01 ppm1      7.206 ppm2      6.852
 ASSI { 2548}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 48   and name HB2 ))
      3.400     1.400     1.400 peak  2548 weight   .10000E+01 volume   .10539E+00 ppm1      7.207 ppm2      2.498
 ASSI { 2550}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      2.400      .700      .700 peak  2550 weight   .10000E+01 volume   .92733E+00 ppm1      7.206 ppm2      1.581
 ASSI { 2551}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
      2.500      .800      .800 peak  2551 weight   .10000E+01 volume   .63717E+00 ppm1      7.207 ppm2      1.324
 ASSI { 2558}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 48   and name HB2 ))
      3.300     1.400     1.400 peak  2558 weight   .10000E+01 volume   .12091E+00 ppm1      6.854 ppm2      2.501
 ASSI { 2560}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      2.600      .800      .800 peak  2560 weight   .10000E+01 volume   .49437E+00 ppm1      6.853 ppm2      1.580
 ASSI { 2561}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
      2.800     1.000     1.000 peak  2561 weight   .10000E+01 volume   .32900E+00 ppm1      6.854 ppm2      1.322
 ASSI { 2583}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA2 ))
      3.500     1.500     1.500 peak  2583 weight   .10000E+01 volume   .81620E-01 ppm1      7.738 ppm2      3.942
 ASSI { 2584}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.200      .600      .600 peak  2584 weight   .10000E+01 volume   .13989E+01 ppm1      7.736 ppm2      3.593
 ASSI { 2585}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.900     1.100     1.100 peak  2585 weight   .10000E+01 volume   .25901E+00 ppm1      7.734 ppm2      2.257
 ASSI { 2588}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      3.500     1.500     1.500 peak  2588 weight   .10000E+01 volume   .92370E-01 ppm1      7.732 ppm2      3.726
 ASSI { 2622}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.700     2.700     1.800 peak  2622 weight   .10000E+01 volume   .41215E+00 ppm1      7.735 ppm2      1.890
 ASSI { 2625}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG11))
      3.200     1.300     1.300 peak  2625 weight   .10000E+01 volume   .15194E+00 ppm1      7.734 ppm2      1.122
 OR { 2625}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG12))
 ASSI { 2627}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.500     1.500 peak  2627 weight   .10000E+01 volume   .83920E-01 ppm1      7.735 ppm2       .760
 ASSI { 2631}
   (( segid "    " and resid 29   and name HE22))
   (( segid "    " and resid 29   and name HB1 ))
      3.400     1.400     1.400 peak  2631 weight   .10000E+01 volume   .11221E+00 ppm1      7.561 ppm2      1.927
 OR { 2631}
   (( segid "    " and resid 29   and name HE22))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2633}
   (( segid "    " and resid 29   and name HE22))
   (( segid "    " and resid 29   and name HE21))
      1.800      .400      .400 peak  2633 weight   .10000E+01 volume   .47951E+01 ppm1      7.558 ppm2      6.890
 ASSI { 2636}
   (( segid "    " and resid 29   and name HE22))
   (( segid "    " and resid 29   and name HG2 ))
      2.700      .900      .900 peak  2636 weight   .10000E+01 volume   .37897E+00 ppm1      7.559 ppm2      2.259
 ASSI { 2637}
   (( segid "    " and resid 29   and name HE22))
   (( segid "    " and resid 29   and name HG1 ))
      2.900     1.100     1.100 peak  2637 weight   .10000E+01 volume   .25485E+00 ppm1      7.559 ppm2      2.159
 ASSI { 2645}
   (( segid "    " and resid 29   and name HE21))
   (( segid "    " and resid 29   and name HG2 ))
      3.000     1.100     1.100 peak  2645 weight   .10000E+01 volume   .24399E+00 ppm1      6.893 ppm2      2.259
 ASSI { 2646}
   (( segid "    " and resid 29   and name HE21))
   (( segid "    " and resid 29   and name HG1 ))
      3.100     1.200     1.200 peak  2646 weight   .10000E+01 volume   .17104E+00 ppm1      6.894 ppm2      2.160
 ASSI { 2647}
   (( segid "    " and resid 29   and name HE21))
   (( segid "    " and resid 29   and name HB1 ))
      3.500     1.500     1.500 peak  2647 weight   .10000E+01 volume   .90690E-01 ppm1      6.894 ppm2      1.926
 OR { 2647}
   (( segid "    " and resid 29   and name HE21))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2703}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HE21))
      1.600      .300      .600 peak  2703 weight   .10000E+01 volume   .81667E+01 ppm1      7.067 ppm2      6.673
 ASSI { 2707}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 63   and name HE2 ))
      3.400     1.400     1.400 peak  2707 weight   .10000E+01 volume   .10542E+00 ppm1      7.067 ppm2      2.897
 OR { 2707}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 63   and name HE1 ))
 ASSI { 2708}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HG2 ))
      2.300      .700      .700 peak  2708 weight   .10000E+01 volume   .95598E+00 ppm1      7.067 ppm2      2.268
 OR { 2708}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 35   and name HG1 ))
 ASSI { 2710}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 62   and name HB2 ))
      3.400     1.400     1.400 peak  2710 weight   .10000E+01 volume   .10156E+00 ppm1      7.066 ppm2      1.756
 ASSI { 2711}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 62   and name HB1 ))
      3.400     1.400     1.400 peak  2711 weight   .10000E+01 volume   .10921E+00 ppm1      7.068 ppm2      1.505
 ASSI { 2712}
   (( segid "    " and resid 35   and name HE22))
   (  segid "    " and resid 62   and name HD1%)
      3.300     1.400     1.400 peak  2712 weight   .10000E+01 volume   .12849E+00 ppm1      7.066 ppm2       .521
 ASSI { 2713}
   (( segid "    " and resid 35   and name HE22))
   (  segid "    " and resid 31   and name HG2%)
      3.400     1.400     1.400 peak  2713 weight   .10000E+01 volume   .10839E+00 ppm1      7.067 ppm2       .358
 ASSI { 2726}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 35   and name HG2 ))
      2.600      .800      .800 peak  2726 weight   .10000E+01 volume   .55216E+00 ppm1      6.673 ppm2      2.268
 OR { 2726}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 35   and name HG1 ))
 ASSI { 2728}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak  2728 weight   .10000E+01 volume   .93400E-01 ppm1      6.672 ppm2      1.755
 OR { 2728}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 62   and name HG  ))
 ASSI { 2730}
   (( segid "    " and resid 35   and name HE21))
   (  segid "    " and resid 62   and name HD1%)
      3.500     1.500     1.500 peak  2730 weight   .10000E+01 volume   .86450E-01 ppm1      6.673 ppm2       .526
 ASSI { 2794}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak  2794 weight   .10000E+01 volume   .84830E-01 ppm1      8.163 ppm2      4.632
 ASSI { 2809}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700      .900      .900 peak  2809 weight   .10000E+01 volume   .37360E+00 ppm1      8.162 ppm2      7.843
 ASSI { 2811}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.400     2.400     2.100 peak  2811 weight   .10000E+01 volume   .95166E+00 ppm1      8.161 ppm2      4.191
 ASSI { 2812}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA2 ))
      2.100      .600      .600 peak  2812 weight   .10000E+01 volume   .17611E+01 ppm1      8.161 ppm2      3.909
 OR { 2812}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA1 ))
 ASSI { 2813}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.100     1.200     1.200 peak  2813 weight   .10000E+01 volume   .19198E+00 ppm1      8.162 ppm2      2.384
 OR { 2813}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2814}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.000     1.100     1.100 peak  2814 weight   .10000E+01 volume   .22493E+00 ppm1      8.162 ppm2      2.123
 ASSI { 2815}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.000     1.100     1.100 peak  2815 weight   .10000E+01 volume   .20879E+00 ppm1      8.161 ppm2      1.994
 ASSI { 2929}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600      .800      .800 peak  2929 weight   .10000E+01 volume   .48149E+00 ppm1      7.953 ppm2      8.552
 ASSI { 2932}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      2.500      .800      .800 peak  2932 weight   .10000E+01 volume   .71143E+00 ppm1      7.952 ppm2      4.093
 ASSI { 2934}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
      2.400      .700      .700 peak  2934 weight   .10000E+01 volume   .83626E+00 ppm1      7.952 ppm2      3.747
 ASSI { 2935}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak  2935 weight   .10000E+01 volume   .86420E-01 ppm1      7.952 ppm2      1.246
 ASSI { 2936}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.100     1.100 peak  2936 weight   .10000E+01 volume   .27371E+00 ppm1      7.951 ppm2       .289
 OR { 2936}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2937}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700      .900      .900 peak  2937 weight   .10000E+01 volume   .44186E+00 ppm1      7.950 ppm2      9.111
 ASSI { 2938}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak  2938 weight   .10000E+01 volume   .85980E-01 ppm1      7.949 ppm2      8.851
 ASSI { 2940}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.400     1.400 peak  2940 weight   .10000E+01 volume   .10734E+00 ppm1      7.949 ppm2      4.226
 ASSI { 2942}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak  2942 weight   .10000E+01 volume   .10781E+00 ppm1      7.949 ppm2      2.737
 OR { 2942}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 2943}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      2.500     2.500     2.000 peak  2943 weight   .10000E+01 volume   .64339E+00 ppm1      7.951 ppm2      1.993
 ASSI { 2944}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.100     1.200     1.200 peak  2944 weight   .10000E+01 volume   .17262E+00 ppm1      7.950 ppm2      1.810
 ASSI { 2945}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 54   and name HG2%)
      3.200     1.300     1.300 peak  2945 weight   .10000E+01 volume   .13719E+00 ppm1      7.951 ppm2      1.359
 ASSI { 2948}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.100     1.100 peak  2948 weight   .10000E+01 volume   .27215E+00 ppm1      7.951 ppm2       .643
 ASSI { 2962}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak  2962 weight   .10000E+01 volume   .94090E-01 ppm1      7.683 ppm2      8.245
 ASSI { 2965}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak  2965 weight   .10000E+01 volume   .26762E+00 ppm1      7.681 ppm2      4.554
 ASSI { 2966}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA2 ))
      2.500      .800      .800 peak  2966 weight   .10000E+01 volume   .71397E+00 ppm1      7.682 ppm2      3.950
 ASSI { 2967}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      2.600      .800      .800 peak  2967 weight   .10000E+01 volume   .49696E+00 ppm1      7.682 ppm2      3.277
 ASSI { 2968}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.200     1.300     1.300 peak  2968 weight   .10000E+01 volume   .15856E+00 ppm1      7.681 ppm2      2.513
 ASSI { 2969}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.400     1.400     1.400 peak  2969 weight   .10000E+01 volume   .10145E+00 ppm1      7.678 ppm2      2.323
 ASSI { 2970}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak  2970 weight   .10000E+01 volume   .13761E+00 ppm1      7.682 ppm2      1.760
 OR { 2970}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 2971}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     1.400     1.400 peak  2971 weight   .10000E+01 volume   .96220E-01 ppm1      7.680 ppm2       .905
 ASSI { 3014}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  3014 weight   .10000E+01 volume   .11746E+00 ppm1      7.790 ppm2      5.121
 ASSI { 3015}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.400      .700      .700 peak  3015 weight   .10000E+01 volume   .94123E+00 ppm1      7.791 ppm2      4.289
 ASSI { 3016}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.300      .700      .700 peak  3016 weight   .10000E+01 volume   .10963E+01 ppm1      7.790 ppm2      3.888
 ASSI { 3018}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.200     1.300     1.300 peak  3018 weight   .10000E+01 volume   .14759E+00 ppm1      7.791 ppm2      3.482
 ASSI { 3019}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.500     1.500     1.500 peak  3019 weight   .10000E+01 volume   .83370E-01 ppm1      7.790 ppm2      2.546
 OR { 3019}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 3021}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak  3021 weight   .10000E+01 volume   .21627E+00 ppm1      7.789 ppm2      1.572
 ASSI { 3022}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak  3022 weight   .10000E+01 volume   .31156E+00 ppm1      7.791 ppm2      1.372
 ASSI { 3023}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.100     1.200     1.200 peak  3023 weight   .10000E+01 volume   .16479E+00 ppm1      7.788 ppm2      1.219
 ASSI { 3025}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.400     1.400 peak  3025 weight   .10000E+01 volume   .11043E+00 ppm1      7.791 ppm2       .288
 OR { 3025}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 3028}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak  3028 weight   .10000E+01 volume   .12335E+00 ppm1      7.719 ppm2      7.541
 ASSI { 3029}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA2 ))
      2.400      .700      .700 peak  3029 weight   .10000E+01 volume   .88797E+00 ppm1      7.717 ppm2      3.946
 ASSI { 3030}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA1 ))
      2.500      .800      .800 peak  3030 weight   .10000E+01 volume   .68184E+00 ppm1      7.722 ppm2      3.730
 ASSI { 3031}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak  3031 weight   .10000E+01 volume   .35890E+00 ppm1      7.719 ppm2      2.155
 OR { 3031}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 3033}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.500     1.500     1.500 peak  3033 weight   .10000E+01 volume   .82710E-01 ppm1      7.719 ppm2       .613
 OR { 3033}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HG11))
 ASSI { 3035}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     1.500     1.500 peak  3035 weight   .10000E+01 volume   .94910E-01 ppm1      7.716 ppm2      3.519
 ASSI { 3037}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.900     2.900     1.600 peak  3037 weight   .10000E+01 volume   .25447E+00 ppm1      7.717 ppm2      1.577
 ASSI { 3038}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      3.100     1.200     1.200 peak  3038 weight   .10000E+01 volume   .17173E+00 ppm1      7.714 ppm2      1.097
 OR { 3038}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 3047}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700      .900      .900 peak  3047 weight   .10000E+01 volume   .41644E+00 ppm1      7.719 ppm2      7.862
 ASSI { 3048}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HD2 ))
      3.300     1.400     1.400 peak  3048 weight   .10000E+01 volume   .11415E+00 ppm1      7.719 ppm2      3.127
 OR { 3048}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 52   and name HD1 ))
 ASSI { 3049}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      3.600     1.600     1.600 peak  3049 weight   .10000E+01 volume   .78670E-01 ppm1      7.712 ppm2       .952
 OR { 3049}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
 ASSI { 3957}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
      1.800      .000     2.200 peak  3957 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3957}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 3958}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      1.800      .000     1.200 peak  3958 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3960}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      1.800      .000     2.200 peak  3960 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3960}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3962}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      1.800      .000     5.406 peak  3962 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3963}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      1.800      .000     4.200 peak  3963 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3964}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      1.800      .000     1.200 peak  3964 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3965}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HN  ))
      1.800      .000     1.200 peak  3965 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3965}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3966}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      1.800      .000     2.200 peak  3966 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3966}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 3968}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 16   and name HN  ))
      1.800      .000     5.406 peak  3968 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3969}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 16   and name HN  ))
      1.800      .000     4.200 peak  3969 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3971}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 16   and name HN  ))
      1.800      .000     2.200 peak  3971 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3971}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 3973}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      1.800      .000     1.200 peak  3973 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3974}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      1.800      .000     2.200 peak  3974 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3974}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 3975}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      1.800      .000     4.935 peak  3975 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3975}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 3987}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      1.800      .000     4.200 peak  3987 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3987}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 3988}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      1.800      .000     1.200 peak  3988 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3991}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      1.800      .000     4.200 peak  3991 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3993}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      1.800      .000     2.200 peak  3993 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3993}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 3994}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 22   and name HN  ))
      1.800      .000     4.200 peak  3994 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 3994}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 3996}
   (  segid "    " and resid 22   and name HE% )
   (( segid "    " and resid 22   and name HN  ))
      1.800      .000     2.200 peak  3996 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 3997}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      1.800      .000     4.200 peak  3997 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4002}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      1.800      .000     3.222 peak  4002 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4002}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 4003}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      1.800      .000     1.200 peak  4003 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4006}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      1.800      .000     2.200 peak  4006 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4006}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4008}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      1.800      .000     1.200 peak  4008 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4018}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      1.800      .000     4.200 peak  4018 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4018}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 4019}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      1.800      .000     1.200 peak  4019 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4020}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      1.800      .000     5.406 peak  4020 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4021}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
      1.800      .000     4.200 peak  4021 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4023}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      1.800      .000     4.200 peak  4023 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4025}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      1.800      .000     2.200 peak  4025 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4025}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 4028}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      1.800      .000     4.200 peak  4028 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4029}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      1.800      .000     4.200 peak  4029 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4029}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 4030}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      1.800      .000     5.406 peak  4030 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4032}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 30   and name HN  ))
      1.800      .000     2.690 peak  4032 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4032}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 4033}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      1.800      .000     4.200 peak  4033 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4033}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 4034}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      1.800      .000     5.406 peak  4034 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4035}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      1.800      .000     2.200 peak  4035 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4037}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      1.800      .000     2.200 peak  4037 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4037}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 4038}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      1.800      .000     1.200 peak  4038 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4039}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      1.800      .000     4.200 peak  4039 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4039}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 4040}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      1.800      .000     4.200 peak  4040 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4043}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      1.800      .000     3.222 peak  4043 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4043}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 4045}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      1.800      .000     5.406 peak  4045 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4050}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      1.800      .000     4.200 peak  4050 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4051}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      1.800      .000     4.200 peak  4051 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4053}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      1.800      .000     2.200 peak  4053 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4053}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 4059}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      1.800      .000     5.406 peak  4059 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4062}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 35   and name HE21))
      1.800      .000     6.853 peak  4062 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4062}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 35   and name HE22))
 ASSI { 4066}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      1.800      .000     4.200 peak  4066 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4066}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 4067}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      1.800      .000     3.004 peak  4067 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4069}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      1.800      .000     1.200 peak  4069 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4070}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 36   and name HN  ))
      1.800      .000     4.200 peak  4070 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4072}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      1.800      .000     2.200 peak  4072 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4072}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 4076}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      1.800      .000     4.200 peak  4076 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4076}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 4077}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      1.800      .000     5.406 peak  4077 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4082}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      1.800      .000     3.222 peak  4082 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4082}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 4084}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      1.800      .000     5.406 peak  4084 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4085}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      1.800      .000     2.200 peak  4085 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4085}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 4088}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 38   and name HN  ))
      1.800      .000     2.200 peak  4088 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4089}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      1.800      .000     4.200 peak  4089 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4096}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
      1.800      .000     5.406 peak  4096 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4096}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 4098}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      1.800      .000     4.200 peak  4098 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4099}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      1.800      .000     2.200 peak  4099 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4099}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 4104}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      1.800      .000     2.200 peak  4104 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4104}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 4105}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 41   and name HN  ))
      1.800      .000     4.200 peak  4105 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4107}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 41   and name HN  ))
      1.800      .000     3.222 peak  4107 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4107}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 4108}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      1.800      .000     1.200 peak  4108 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4112}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 42   and name HN  ))
      1.800      .000     5.406 peak  4112 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4112}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 4118}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      1.800      .000     3.221 peak  4118 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4118}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 4122}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      1.800      .000     5.406 peak  4122 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4123}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 43   and name HN  ))
      1.800      .000     3.200 peak  4123 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4128}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 44   and name HN  ))
      1.800      .000     2.200 peak  4128 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4128}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 4130}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      1.800      .000     1.200 peak  4130 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4131}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      1.800      .000     5.406 peak  4131 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4132}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      1.800      .000     5.406 peak  4132 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4132}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 4133}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 45   and name HB1 ))
      1.800      .000     5.406 peak  4133 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4133}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 4133}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 4133}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 4134}
   (( segid "    " and resid 26   and name HE22))
   (( segid "    " and resid 45   and name HG  ))
      1.800      .000     3.004 peak  4134 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4134}
   (( segid "    " and resid 26   and name HE21))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 4139}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      1.800      .000     1.200 peak  4139 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4140}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      1.800      .000     2.200 peak  4140 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4142}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      1.800      .000     4.200 peak  4142 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4143}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      1.800      .000     1.200 peak  4143 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4144}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      1.800      .000     3.004 peak  4144 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4145}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 47   and name HN  ))
      1.800      .000     4.200 peak  4145 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4145}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 4148}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 47   and name HN  ))
      1.800      .000     4.200 peak  4148 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4150}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      1.800      .000     1.200 peak  4150 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4151}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      1.800      .000     2.200 peak  4151 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4151}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 4152}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      1.800      .000     1.200 peak  4152 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4153}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      1.800      .000     1.200 peak  4153 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4154}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      1.800      .000     4.200 peak  4154 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4154}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 4156}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      1.800      .000     2.690 peak  4156 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4156}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 4157}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
      1.800      .000     4.935 peak  4157 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4157}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 4158}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      1.800      .000     4.200 peak  4158 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4159}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      1.800      .000     2.690 peak  4159 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4159}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 4163}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      1.800      .000     4.200 peak  4163 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4163}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 4164}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 52   and name HN  ))
      1.800      .000     4.200 peak  4164 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4168}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      1.800      .000     4.200 peak  4168 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4170}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      1.800      .000     2.200 peak  4170 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4170}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 4175}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      1.800      .000     1.567 peak  4175 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4175}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 4177}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      1.800      .000     1.200 peak  4177 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4181}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 56   and name HE1 ))
      1.800      .000     2.200 peak  4181 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4181}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 56   and name HE3 ))
 ASSI { 4182}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 56   and name HE1 ))
      1.800      .000     3.004 peak  4182 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4182}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 56   and name HE3 ))
 ASSI { 4183}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 56   and name HE3 ))
      1.800      .000     4.200 peak  4183 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4183}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 4184}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 56   and name HE3 ))
      1.800      .000     3.200 peak  4184 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4184}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 4185}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 56   and name HE3 ))
      1.800      .000     5.406 peak  4185 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4185}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 56   and name HE3 ))
 OR { 4185}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 56   and name HE1 ))
 OR { 4185}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 4186}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 56   and name HE3 ))
      1.800      .000     3.200 peak  4186 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4186}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 4187}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 56   and name HE1 ))
      1.800      .000     4.200 peak  4187 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4187}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 56   and name HE3 ))
 ASSI { 4189}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 56   and name HE3 ))
      1.800      .000     4.200 peak  4189 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4189}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 4192}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      1.800      .000     1.200 peak  4192 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4193}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      1.800      .000     4.935 peak  4193 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4193}
   (( segid "    " and resid 55   and name HG12))
   (( segid "    " and resid 56   and name HN  ))
 OR { 4193}
   (( segid "    " and resid 55   and name HG11))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 4194}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      1.800      .000     3.004 peak  4194 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4196}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HE3 ))
      1.800      .000     4.200 peak  4196 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4196}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HE3 ))
 OR { 4196}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HE1 ))
 OR { 4196}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 4197}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 56   and name HN  ))
      1.800      .000     4.200 peak  4197 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4198}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 57   and name HN  ))
      1.800      .000     4.200 peak  4198 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4201}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      1.800      .000     2.200 peak  4201 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4201}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 4204}
   (( segid "    " and resid 56   and name HE3 ))
   (( segid "    " and resid 57   and name HN  ))
      1.800      .000     4.200 peak  4204 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4204}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 4206}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      1.800      .000     3.004 peak  4206 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4209}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 58   and name HN  ))
      1.800      .000     4.200 peak  4209 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4209}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 4212}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 59   and name HN  ))
      1.800      .000     4.200 peak  4212 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4215}
   (( segid "    " and resid 58   and name HA1 ))
   (( segid "    " and resid 59   and name HN  ))
      1.800      .000     2.200 peak  4215 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4215}
   (( segid "    " and resid 58   and name HA2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 4216}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 60   and name HE21))
      1.800      .000     5.406 peak  4216 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4216}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 60   and name HE22))
 OR { 4216}
   (( segid "    " and resid 56   and name HE3 ))
   (( segid "    " and resid 60   and name HE21))
 OR { 4216}
   (( segid "    " and resid 56   and name HE3 ))
   (( segid "    " and resid 60   and name HE22))
 ASSI { 4217}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HE21))
      1.800      .000     5.406 peak  4217 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4217}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HE22))
 ASSI { 4218}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      1.800      .000     1.200 peak  4218 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4219}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 62   and name HB2 ))
      1.800      .000     5.406 peak  4219 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4219}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 4219}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 4219}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 4221}
   (( segid "    " and resid 35   and name HE22))
   (  segid "    " and resid 62   and name HD1%)
      1.800      .000     6.853 peak  4221 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4221}
   (( segid "    " and resid 35   and name HE21))
   (  segid "    " and resid 62   and name HD1%)
 ASSI { 4224}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      1.800      .000     1.567 peak  4224 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4224}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 4225}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      1.800      .000     1.200 peak  4225 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4231}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      1.800      .000     1.200 peak  4231 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4232}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      1.800      .000     1.200 peak  4232 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4233}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      1.800      .000     2.200 peak  4233 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4233}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 4238}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      1.800      .000     1.200 peak  4238 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4239}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      1.800      .000     4.200 peak  4239 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4239}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 4241}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      1.800      .000     2.200 peak  4241 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4241}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 4244}
   (( segid "    " and resid 7    and name O   ))
   (( segid "    " and resid 11   and name HN  ))
      2.000      .200      .200 peak  4244 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4245}
   (( segid "    " and resid 7    and name O   ))
   (( segid "    " and resid 11   and name N   ))
      2.500      .700      .800 peak  4245 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4246}
   (( segid "    " and resid 8    and name O   ))
   (( segid "    " and resid 12   and name HN  ))
      2.000      .200      .200 peak  4246 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4247}
   (( segid "    " and resid 8    and name O   ))
   (( segid "    " and resid 12   and name N   ))
      2.500      .700      .800 peak  4247 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4248}
   (( segid "    " and resid 10   and name O   ))
   (( segid "    " and resid 14   and name HN  ))
      2.000      .200      .200 peak  4248 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4249}
   (( segid "    " and resid 10   and name O   ))
   (( segid "    " and resid 14   and name N   ))
      2.500      .700      .800 peak  4249 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4250}
   (( segid "    " and resid 12   and name O   ))
   (( segid "    " and resid 16   and name HN  ))
      2.000      .200      .200 peak  4250 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4251}
   (( segid "    " and resid 12   and name O   ))
   (( segid "    " and resid 16   and name N   ))
      2.500      .700      .800 peak  4251 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4252}
   (( segid "    " and resid 19   and name O   ))
   (( segid "    " and resid 23   and name HN  ))
      2.000      .200      .200 peak  4252 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4253}
   (( segid "    " and resid 19   and name O   ))
   (( segid "    " and resid 23   and name N   ))
      2.500      .700      .800 peak  4253 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4254}
   (( segid "    " and resid 51   and name O   ))
   (( segid "    " and resid 55   and name HN  ))
      2.000      .200      .200 peak  4254 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4255}
   (( segid "    " and resid 51   and name O   ))
   (( segid "    " and resid 55   and name N   ))
      2.500      .700      .800 peak  4255 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4256}
   (( segid "    " and resid 52   and name O   ))
   (( segid "    " and resid 56   and name HN  ))
      2.000      .200      .200 peak  4256 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4257}
   (( segid "    " and resid 52   and name O   ))
   (( segid "    " and resid 56   and name N   ))
      2.500      .700      .800 peak  4257 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4258}
   (( segid "    " and resid 53   and name O   ))
   (( segid "    " and resid 57   and name HN  ))
      2.000      .200      .200 peak  4258 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4259}
   (( segid "    " and resid 53   and name O   ))
   (( segid "    " and resid 57   and name N   ))
      2.500      .700      .800 peak  4259 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4260}
   (( segid "    " and resid 54   and name O   ))
   (( segid "    " and resid 58   and name HN  ))
      2.000      .200      .200 peak  4260 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4261}
   (( segid "    " and resid 54   and name O   ))
   (( segid "    " and resid 58   and name N   ))
      2.500      .700      .800 peak  4261 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4262}
   (( segid "    " and resid 55   and name O   ))
   (( segid "    " and resid 59   and name HN  ))
      2.000      .200      .200 peak  4262 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4263}
   (( segid "    " and resid 55   and name O   ))
   (( segid "    " and resid 59   and name N   ))
      2.500      .700      .800 peak  4263 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4264}
   (( segid "    " and resid 56   and name O   ))
   (( segid "    " and resid 60   and name HN  ))
      2.000      .200      .200 peak  4264 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4265}
   (( segid "    " and resid 56   and name O   ))
   (( segid "    " and resid 60   and name N   ))
      2.500      .700      .800 peak  4265 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4266}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.600      .800      .900 peak  4266 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4267}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.100      .300      .400 peak  4267 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4269}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.600     1.600 peak  4269 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4270}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600      .800      .900 peak  4270 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4271}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.600     1.600 peak  4271 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4272}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600      .800      .900 peak  4272 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4274}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600      .800      .900 peak  4274 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4275}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.300     1.400 peak  4275 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4275}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 4278}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600      .800      .900 peak  4278 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4279}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600      .800      .900 peak  4279 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4280}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.600     1.600 peak  4280 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4281}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600      .800      .900 peak  4281 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4283}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.600      .800      .900 peak  4283 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4284}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.600      .800      .900 peak  4284 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4285}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      2.600      .800      .900 peak  4285 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4286}
   (( segid "    " and resid 58   and name HA2 ))
   (( segid "    " and resid 61   and name HB2 ))
      3.600     1.800     1.900 peak  4286 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4286}
   (( segid "    " and resid 58   and name HA1 ))
   (( segid "    " and resid 61   and name HB2 ))
 OR { 4286}
   (( segid "    " and resid 58   and name HA2 ))
   (( segid "    " and resid 61   and name HB1 ))
 OR { 4286}
   (( segid "    " and resid 58   and name HA1 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 4287}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.100     1.300     1.400 peak  4287 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4287}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 4288}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.300     1.400 peak  4288 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4288}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 4289}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HD1 ))
      3.100     1.300     1.400 peak  4289 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4289}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 4290}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HB  ))
      2.600      .800      .900 peak  4290 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4291}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HG12))
      3.100     1.300     1.400 peak  4291 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4291}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HG11))
 ASSI { 4292}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.100     1.300     1.400 peak  4292 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4292}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 4293}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     2.000     2.100 peak  4293 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4293}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 4295}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.100     1.300     1.400 peak  4295 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4295}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 4296}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.900     2.000     2.100 peak  4296 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4296}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI { 4297}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600      .800      .900 peak  4297 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4298}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600      .800      .900 peak  4298 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4299}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.100     1.300     1.400 peak  4299 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4299}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HG1 ))
 ASSI { 4301}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600      .800      .900 peak  4301 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4302}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.100     1.300     1.400 peak  4302 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4302}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 4303}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HG  ))
      2.600      .800      .900 peak  4303 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4305}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      3.400     1.600     1.600 peak  4305 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4305}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
 ASSI { 4306}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.600     1.600 peak  4306 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4307}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.600     1.600 peak  4307 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4310}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.400     1.600     1.600 peak  4310 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4310}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 4311}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HB  ))
      3.400     1.600     1.600 peak  4311 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4312}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.300     1.400 peak  4312 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4313}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.600     1.600 peak  4313 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4315}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.600     1.600 peak  4315 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4317}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.300     1.400 peak  4317 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4318}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.600     1.600 peak  4318 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4319}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.600     1.600 peak  4319 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4319}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 4320}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.600     1.600 peak  4320 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4321}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.600     1.600 peak  4321 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4322}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.300     1.400 peak  4322 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4322}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 4323}
   (  segid "    " and resid 10   and name HD% )
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.600     1.600 peak  4323 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4324}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.600     1.600 peak  4324 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4325}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.600     1.600 peak  4325 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4325}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 4326}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      2.600      .800      .900 peak  4326 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4326}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA2 ))
 ASSI { 4327}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.600      .800      .900 peak  4327 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4328}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.300     1.400 peak  4328 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4329}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600      .800      .900 peak  4329 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4330}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.600     1.600 peak  4330 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4330}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 4331}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.600     1.600 peak  4331 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4331}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 4332}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.600     1.600 peak  4332 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4332}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 4333}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.600     1.600 peak  4333 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4336}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.300     1.400 peak  4336 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4336}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 4337}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      2.600      .800      .900 peak  4337 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4338}
   (  segid "    " and resid 23   and name HD% )
   (  segid "    " and resid 28   and name HD1%)
      1.800      .000     3.004 peak  4338 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4339}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 28   and name HG  ))
      1.800      .000     1.200 peak  4339 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4340}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 28   and name HG  ))
      1.800      .000     2.200 peak  4340 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4341}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      1.800      .000     3.004 peak  4341 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4342}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
      1.800      .000     3.004 peak  4342 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4343}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      1.800      .000     3.004 peak  4343 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4344}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      1.800      .000     6.288 peak  4344 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4344}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 4345}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 35   and name HG2 ))
      1.800      .000     5.406 peak  4345 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4345}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 35   and name HG1 ))
 ASSI { 4346}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 42   and name HG  ))
      1.800      .000     1.803 peak  4346 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4347}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 42   and name HG  ))
      1.800      .000     5.406 peak  4347 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4347}
   (( segid "    " and resid 39   and name HG11))
   (( segid "    " and resid 42   and name HG  ))
 ASSI { 4348}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 42   and name HG  ))
      1.800      .000     3.004 peak  4348 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4350}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      1.800      .000     5.406 peak  4350 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4350}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 4352}
   (  segid "    " and resid 23   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      1.800      .000     3.969 peak  4352 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4354}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 45   and name HG  ))
      1.800      .000     2.200 peak  4354 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4355}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
      1.800      .000     2.200 peak  4355 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4356}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 45   and name HG  ))
      1.800      .000     1.624 peak  4356 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4356}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 4357}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      1.800      .000     2.527 peak  4357 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4358}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      1.800      .000     5.406 peak  4358 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4359}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      1.800      .000     5.406 peak  4359 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4359}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 4362}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 47   and name HD1%)
      1.800      .000     2.353 peak  4362 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4362}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 4363}
   (( segid "    " and resid 48   and name HG1 ))
   (  segid "    " and resid 51   and name HE% )
      1.800      .000     8.495 peak  4363 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4364}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 51   and name HE% )
      1.800      .000     8.495 peak  4364 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4367}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 51   and name HE% )
      1.800      .000     6.300 peak  4367 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4367}
   (( segid "    " and resid 48   and name HG1 ))
   (  segid "    " and resid 51   and name HE% )
 ASSI { 4368}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HG2%)
      1.800      .000     2.527 peak  4368 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4371}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
      1.800      .000     5.406 peak  4371 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4372}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      1.800      .000     3.004 peak  4372 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4372}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 4373}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      1.800      .000     1.803 peak  4373 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4373}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 4377}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      1.800      .000     5.406 peak  4377 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4378}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
      1.800      .000     2.200 peak  4378 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4381}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 56   and name HB1 ))
      1.800      .000     1.624 peak  4381 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4381}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 4382}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 56   and name HD1 ))
      1.800      .000     5.406 peak  4382 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4383}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 56   and name HD1 ))
      1.800      .000     4.200 peak  4383 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4385}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 58   and name HA1 ))
      1.800      .000     4.200 peak  4385 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4385}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 58   and name HA2 ))
 ASSI { 4386}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 58   and name HA1 ))
      1.800      .000     5.406 peak  4386 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4386}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 58   and name HA2 ))
 ASSI { 4389}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 59   and name HD1%)
      1.800      .000     2.527 peak  4389 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4390}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
      1.800      .000     5.406 peak  4390 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4391}
   (( segid "    " and resid 35   and name HG1 ))
   (  segid "    " and resid 59   and name HD1%)
      1.800      .000     5.406 peak  4391 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4391}
   (( segid "    " and resid 35   and name HG2 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 4392}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 59   and name HG  ))
      1.800      .000     4.200 peak  4392 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4392}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI { 4393}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 62   and name HD1%)
      1.800      .000     2.527 peak  4393 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4394}
   (( segid "    " and resid 31   and name HG11))
   (  segid "    " and resid 62   and name HD1%)
      1.800      .000     3.969 peak  4394 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4394}
   (( segid "    " and resid 31   and name HG12))
   (  segid "    " and resid 62   and name HD1%)
 ASSI { 4395}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 62   and name HD2%)
      1.800      .000     3.969 peak  4395 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4398}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 34   and name HD2%)
      1.800      .000     4.200 peak  4398 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4399}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 34   and name HD2%)
      1.800      .000     3.004 peak  4399 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4400}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 34   and name HD2%)
      1.800      .000     2.527 peak  4400 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4401}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 34   and name HD1%)
      1.800      .000     3.969 peak  4401 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4402}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      1.800      .000     5.406 peak  4402 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4403}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 55   and name HN  ))
      1.800      .000     4.200 peak  4403 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4406}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      1.800      .000     5.406 peak  4406 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4408}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      1.800      .000     3.200 peak  4408 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4414}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
      1.800      .000     3.004 peak  4414 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4416}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 55   and name HG11))
      1.800      .000     3.969 peak  4416 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4416}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 55   and name HG12))
 ASSI { 4417}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 55   and name HB  ))
      1.800      .000     3.004 peak  4417 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4418}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 55   and name HG2%)
      1.800      .000     2.527 peak  4418 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4419}
   (  segid "    " and resid 23   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      1.800      .000     1.803 peak  4419 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4420}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      1.800      .000     2.690 peak  4420 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4420}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI { 4421}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      1.800      .000     3.004 peak  4421 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4423}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD2 ))
      1.800      .000     5.760 peak  4423 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4423}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR { 4423}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
 OR { 4423}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI { 4426}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 34   and name HD2%)
      1.800      .000     4.200 peak  4426 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4427}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 34   and name HD1%)
      1.800      .000     4.200 peak  4427 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4428}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      1.800      .000     4.200 peak  4428 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4431}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      1.800      .000     4.200 peak  4431 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4432}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 31   and name HG2%)
      1.800      .000     4.200 peak  4432 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4432}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 31   and name HG2%)
 ASSI { 4433}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 31   and name HG2%)
      1.800      .000     4.200 peak  4433 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4435}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 31   and name HG2%)
      1.800      .000     4.200 peak  4435 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4435}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 31   and name HG2%)
 ASSI { 4436}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
      1.800      .000     4.200 peak  4436 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4436}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 4437}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
      1.800      .000     4.200 peak  4437 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4437}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 19   and name HB1 ))
 ASSI { 4441}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 19   and name HB1 ))
      1.800      .000     4.200 peak  4441 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4441}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
 OR { 4441}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR { 4441}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 4442}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      1.800      .000     4.200 peak  4442 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4443}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
      1.800      .000     3.004 peak  4443 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4444}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 20   and name HD1%)
      1.800      .000     5.760 peak  4444 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4445}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 20   and name HG2%)
      1.800      .000     5.760 peak  4445 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4446}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      1.800      .000     4.200 peak  4446 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4446}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 4448}
   (  segid "    " and resid 10   and name HD% )
   (  segid "    " and resid 31   and name HD1%)
      1.800      .000     4.200 peak  4448 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4449}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 17   and name HD1 ))
      1.800      .000     4.200 peak  4449 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4449}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 4451}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      1.800      .000     4.200 peak  4451 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4452}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      1.800      .000     4.200 peak  4452 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4452}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 4453}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
      1.800      .000     4.200 peak  4453 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4453}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 4453}
   (( segid "    " and resid 35   and name HG2 ))
   (( segid "    " and resid 62   and name HB1 ))
 OR { 4453}
   (( segid "    " and resid 35   and name HG1 ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 4454}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
      1.800      .000     4.200 peak  4454 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4455}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      1.800      .000     4.200 peak  4455 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 ASSI { 4456}
   (( segid "    " and resid 20   and name HG11))
   (  segid "    " and resid 24   and name HG2%)
      1.800      .000     4.200 peak  4456 weight   .10000E+01 volume   .00000E+00 ppm1   -999.000 ppm2   -999.000
 OR { 4456}
   (( segid "    " and resid 20   and name HG12))
   (  segid "    " and resid 24   and name HG2%) 
#
# Ambiguous distance restraints
#
 ASSI {   80}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 7    and name HG  ))
      2.800     1.000     1.000 peak    80 weight   .10000E+01 volume   .11525E+00 ppm1       .932 ppm2       .750
 OR {   80}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 7    and name HG  ))
 ASSI {  978}
   (  segid "    " and resid 55   and name HG2%)
   (  segid "    " and resid 28   and name HD2%)
      2.400     2.400     2.100 peak   978 weight   .10000E+01 volume   .27994E+00 ppm1      1.050 ppm2       .914
 OR {  978}
   (( segid "    " and resid 37   and name HG  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1324}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      2.900     1.100     1.100 peak  1324 weight   .10000E+01 volume   .90200E-01 ppm1      4.715 ppm2      1.066
 OR { 1324}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1431}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 42   and name HD1%)
      2.700     2.700     1.800 peak  1431 weight   .10000E+01 volume   .12353E+00 ppm1      1.415 ppm2      1.089
 OR { 1431}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 42   and name HD1%)
 OR { 1431}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 1434}
   (( segid "    " and resid 52   and name HG1 ))
   (  segid "    " and resid 42   and name HD2%)
      2.700      .900      .900 peak  1434 weight   .10000E+01 volume   .14356E+00 ppm1      1.255 ppm2      1.090
 OR { 1434}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 42   and name HD2%)
 OR { 1434}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 1958}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
      1.900     1.900     2.600 peak  1958 weight   .10000E+01 volume   .10274E+01 ppm1      1.295 ppm2       .755
 OR { 1958}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 2077}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 11   and name HD2%)
      2.600      .800      .800 peak  2077 weight   .10000E+01 volume   .17447E+00 ppm1      1.861 ppm2       .860
 OR { 2077}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2203}
   (( segid "    " and resid 47   and name HG11))
   (( segid "    " and resid 45   and name HG  ))
      2.900     1.100     1.100 peak  2203 weight   .10000E+01 volume   .82480E-01 ppm1      1.094 ppm2       .837
 OR { 2203}
   (( segid "    " and resid 47   and name HG12))
   (( segid "    " and resid 45   and name HG  ))
 OR { 2203}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2301}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 37   and name HD1%)
      2.900     1.100     1.100 peak  2301 weight   .10000E+01 volume   .91040E-01 ppm1      1.556 ppm2       .970
 OR { 2301}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 37   and name HD2%)
 OR { 2301}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 37   and name HD2%)
 ASSI { 2318}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      1.800      .400      .400 peak  2318 weight   .10000E+01 volume   .14016E+01 ppm1      1.359 ppm2       .643
 OR { 2318}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 2740}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.900     2.900     1.600 peak  2740 weight   .10000E+01 volume   .87710E-01 ppm1      1.892 ppm2      1.409
 OR { 2740}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 3371}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 8    and name HG1%)
      1.700     1.700     2.800 peak  3371 weight   .10000E+01 volume   .24506E+01 ppm1      1.288 ppm2       .973
 OR { 3371}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
 OR { 3371}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 5921}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 31   and name HG2%)
      1.800     1.800     2.700 peak  5921 weight   .10000E+01 volume   .12622E+01 ppm1       .614 ppm2       .385
 OR { 5921}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 31   and name HG2%)
 ASSI { 6251}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 42   and name HB1 ))
      1.700     1.700     2.800 peak  6251 weight   .10000E+01 volume   .17617E+01 ppm1      1.994 ppm2      2.164
 OR { 6251}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 42   and name HB2 ))
 OR { 6251}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {10648}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     2.900     1.600 peak 10648 weight   .10000E+01 volume   .90480E-01 ppm1      4.060 ppm2      4.418
 OR {10648}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {16154}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      2.600      .800      .800 peak 16154 weight   .10000E+01 volume   .14792E+00 ppm1      1.351 ppm2       .289
 OR {16154}
   (  segid "    " and resid 54   and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 OR {16154}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  358}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.400     1.400     1.400 peak   358 weight   .10000E+01 volume   .10637E+00 ppm1      7.993 ppm2      1.300
 OR {  358}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 OR {  358}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI {  360}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.500     1.500 peak   360 weight   .10000E+01 volume   .84990E-01 ppm1      7.993 ppm2       .756
 OR {  360}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
 ASSI {  789}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
      3.100     1.200     1.200 peak   789 weight   .10000E+01 volume   .16981E+00 ppm1      8.549 ppm2      1.075
 OR {  789}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI {  791}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      3.400     1.400     1.400 peak   791 weight   .10000E+01 volume   .10549E+00 ppm1      8.549 ppm2       .647
 OR {  791}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI {  891}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.000     1.100     1.100 peak   891 weight   .10000E+01 volume   .23772E+00 ppm1      8.015 ppm2      2.177
 OR {  891}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  895}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      3.300     1.400     1.400 peak   895 weight   .10000E+01 volume   .12502E+00 ppm1      8.017 ppm2      1.070
 OR {  895}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HG  ))
 ASSI {  974}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.500      .800      .800 peak   974 weight   .10000E+01 volume   .63721E+00 ppm1      8.382 ppm2      4.640
 OR {  974}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1041}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.500     1.500     1.500 peak  1041 weight   .10000E+01 volume   .94760E-01 ppm1      8.863 ppm2      1.813
 OR { 1041}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1059}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.300     1.400     1.400 peak  1059 weight   .10000E+01 volume   .12853E+00 ppm1      8.114 ppm2      3.527
 OR { 1059}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1062}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak  1062 weight   .10000E+01 volume   .78510E-01 ppm1      8.118 ppm2      1.804
 OR { 1062}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
 ASSI { 1064}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
      2.500      .800      .800 peak  1064 weight   .10000E+01 volume   .71412E+00 ppm1      8.114 ppm2      1.100
 OR { 1064}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 1144}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
      3.100     1.200     1.200 peak  1144 weight   .10000E+01 volume   .18763E+00 ppm1      8.857 ppm2      2.147
 OR { 1144}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
 OR { 1144}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 OR { 1144}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1184}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HG  ))
      2.600     2.600     1.900 peak  1184 weight   .10000E+01 volume   .58192E+00 ppm1      7.513 ppm2      1.062
 OR { 1184}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 1185}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      2.500      .800      .800 peak  1185 weight   .10000E+01 volume   .74169E+00 ppm1      7.512 ppm2       .954
 OR { 1185}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
 OR { 1185}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI { 1240}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak  1240 weight   .10000E+01 volume   .18324E+00 ppm1      7.331 ppm2      3.556
 OR { 1240}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1246}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak  1246 weight   .10000E+01 volume   .87330E-01 ppm1      7.333 ppm2       .152
 OR { 1246}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 1391}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.400      .700      .700 peak  1391 weight   .10000E+01 volume   .87498E+00 ppm1      7.863 ppm2      3.706
 OR { 1391}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1393}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      2.600      .800      .800 peak  1393 weight   .10000E+01 volume   .57305E+00 ppm1      7.860 ppm2      1.385
 OR { 1393}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG1 ))
 ASSI { 1404}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.300      .700      .700 peak  1404 weight   .10000E+01 volume   .99683E+00 ppm1      7.854 ppm2      1.819
 OR { 1404}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1420}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG1 ))
      2.700     2.700     1.800 peak  1420 weight   .10000E+01 volume   .37866E+00 ppm1      7.673 ppm2      1.383
 OR { 1420}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
 ASSI { 1428}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak  1428 weight   .10000E+01 volume   .18296E+00 ppm1      7.610 ppm2      1.119
 OR { 1428}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
 ASSI { 1453}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.800     1.000     1.000 peak  1453 weight   .10000E+01 volume   .32161E+00 ppm1      7.123 ppm2      1.294
 OR { 1453}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1491}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.600      .800      .800 peak  1491 weight   .10000E+01 volume   .58305E+00 ppm1      8.327 ppm2      4.386
 OR { 1491}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI { 1494}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      3.200     1.300     1.300 peak  1494 weight   .10000E+01 volume   .13967E+00 ppm1      8.325 ppm2      3.283
 OR { 1494}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 1498}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.300     1.400     1.400 peak  1498 weight   .10000E+01 volume   .13247E+00 ppm1      8.324 ppm2      1.282
 OR { 1498}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 1513}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.500     1.500     1.500 peak  1513 weight   .10000E+01 volume   .92200E-01 ppm1      8.042 ppm2      3.539
 OR { 1513}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1516}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.000     1.100     1.100 peak  1516 weight   .10000E+01 volume   .21959E+00 ppm1      8.041 ppm2      1.994
 OR { 1516}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
 ASSI { 1518}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
      3.200     1.300     1.300 peak  1518 weight   .10000E+01 volume   .14343E+00 ppm1      8.041 ppm2      1.104
 OR { 1518}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 1530}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.100     1.200     1.200 peak  1530 weight   .10000E+01 volume   .18516E+00 ppm1      7.391 ppm2      1.999
 OR { 1530}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1535}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.200     1.300     1.300 peak  1535 weight   .10000E+01 volume   .16030E+00 ppm1      7.392 ppm2       .940
 OR { 1535}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 1535}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
 ASSI { 1549}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     1.200     1.200 peak  1549 weight   .10000E+01 volume   .18559E+00 ppm1      7.172 ppm2       .954
 OR { 1549}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 1590}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.900     1.100     1.100 peak  1590 weight   .10000E+01 volume   .27208E+00 ppm1      9.117 ppm2      3.263
 OR { 1590}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD1 ))
 ASSI { 1594}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      3.500     1.500     1.500 peak  1594 weight   .10000E+01 volume   .82410E-01 ppm1      9.116 ppm2      1.072
 OR { 1594}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
 ASSI { 1612}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak  1612 weight   .10000E+01 volume   .15188E+00 ppm1      8.241 ppm2      7.671
 OR { 1612}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1651}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.100     1.200     1.200 peak  1651 weight   .10000E+01 volume   .17285E+00 ppm1      7.859 ppm2      1.578
 OR { 1651}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1657}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.300     1.400     1.400 peak  1657 weight   .10000E+01 volume   .11785E+00 ppm1      7.857 ppm2       .752
 OR { 1657}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1673}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HG11))
      2.900     1.100     1.100 peak  1673 weight   .10000E+01 volume   .26736E+00 ppm1      7.552 ppm2      1.105
 OR { 1673}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 OR { 1673}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HG12))
 ASSI { 1683}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak  1683 weight   .10000E+01 volume   .31827E+00 ppm1      6.852 ppm2      3.645
 OR { 1683}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
 ASSI { 1731}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.400     1.400 peak  1731 weight   .10000E+01 volume   .11983E+00 ppm1      8.777 ppm2      3.533
 OR { 1731}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR { 1731}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1770}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700      .900      .900 peak  1770 weight   .10000E+01 volume   .43526E+00 ppm1      7.688 ppm2      3.556
 OR { 1770}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1772}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
      3.500     1.500     1.500 peak  1772 weight   .10000E+01 volume   .95100E-01 ppm1      7.687 ppm2      2.258
 OR { 1772}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR { 1772}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1885}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
      3.100     1.200     1.200 peak  1885 weight   .10000E+01 volume   .17179E+00 ppm1      9.180 ppm2      2.262
 OR { 1885}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
 OR { 1885}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1886}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak  1886 weight   .10000E+01 volume   .23084E+00 ppm1      9.180 ppm2      1.980
 OR { 1886}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
 ASSI { 1923}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak  1923 weight   .10000E+01 volume   .80530E-01 ppm1      8.025 ppm2       .160
 OR { 1923}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 1925}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.300     1.400     1.400 peak  1925 weight   .10000E+01 volume   .13263E+00 ppm1      7.450 ppm2       .168
 OR { 1925}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 2019}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      3.300     1.400     1.400 peak  2019 weight   .10000E+01 volume   .13274E+00 ppm1      8.280 ppm2       .946
 OR { 2019}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
 OR { 2019}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
 ASSI { 2028}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  2028 weight   .10000E+01 volume   .31295E+00 ppm1      8.275 ppm2      1.994
 OR { 2028}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 2052}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      3.300     1.400     1.400 peak  2052 weight   .10000E+01 volume   .11917E+00 ppm1      7.147 ppm2       .938
 OR { 2052}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
 OR { 2052}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 2052}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 2053}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
      2.900     1.100     1.100 peak  2053 weight   .10000E+01 volume   .25488E+00 ppm1      7.146 ppm2       .443
 OR { 2053}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 2054}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.300     1.400     1.400 peak  2054 weight   .10000E+01 volume   .13360E+00 ppm1      7.147 ppm2       .161
 OR { 2054}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 2067}
   (( segid "    " and resid 60   and name HE22))
   (( segid "    " and resid 60   and name HG1 ))
      2.900     1.100     1.100 peak  2067 weight   .10000E+01 volume   .26099E+00 ppm1      6.785 ppm2      1.395
 OR { 2067}
   (( segid "    " and resid 60   and name HE22))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2086}
   (( segid "    " and resid 60   and name HE21))
   (( segid "    " and resid 60   and name HG1 ))
      2.700      .900      .900 peak  2086 weight   .10000E+01 volume   .40322E+00 ppm1      5.967 ppm2      1.391
 OR { 2086}
   (( segid "    " and resid 60   and name HE21))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2154}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.700      .900      .900 peak  2154 weight   .10000E+01 volume   .43261E+00 ppm1      8.086 ppm2      4.397
 OR { 2154}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 2230}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.100     3.100     1.400 peak  2230 weight   .10000E+01 volume   .18130E+00 ppm1      8.128 ppm2      2.141
 OR { 2230}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 2230}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 55   and name HG11))
 OR { 2230}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
 ASSI { 2297}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak  2297 weight   .10000E+01 volume   .17426E+00 ppm1      9.412 ppm2      7.507
 OR { 2297}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 56   and name HD1 ))
 ASSI { 2305}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HG  ))
      3.000     1.100     1.100 peak  2305 weight   .10000E+01 volume   .22660E+00 ppm1      9.410 ppm2      1.064
 OR { 2305}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 2310}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.400     1.400 peak  2310 weight   .10000E+01 volume   .98750E-01 ppm1      8.630 ppm2      7.662
 OR { 2310}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 2316}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak  2316 weight   .10000E+01 volume   .21552E+00 ppm1      8.634 ppm2      4.235
 OR { 2316}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
 ASSI { 2320}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.500     1.500     1.500 peak  2320 weight   .10000E+01 volume   .92590E-01 ppm1      8.632 ppm2      1.871
 OR { 2320}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2323}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     3.100     1.400 peak  2323 weight   .10000E+01 volume   .19059E+00 ppm1      8.632 ppm2       .949
 OR { 2323}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2324}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.000     3.000     1.500 peak  2324 weight   .10000E+01 volume   .21944E+00 ppm1      8.633 ppm2       .754
 OR { 2324}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2340}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.600     1.600     1.600 peak  2340 weight   .10000E+01 volume   .79990E-01 ppm1      7.403 ppm2      1.850
 OR { 2340}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 2341}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.900     1.100     1.100 peak  2341 weight   .10000E+01 volume   .28827E+00 ppm1      7.400 ppm2      1.297
 OR { 2341}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2342}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
      3.200     1.300     1.300 peak  2342 weight   .10000E+01 volume   .15816E+00 ppm1      7.399 ppm2      1.100
 OR { 2342}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 47   and name HG12))
 OR { 2342}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 47   and name HG11))
 OR { 2342}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 55   and name HD1%)
 ASSI { 2344}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak  2344 weight   .10000E+01 volume   .18909E+00 ppm1      7.402 ppm2       .752
 OR { 2344}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 2528}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.200     1.300     1.300 peak  2528 weight   .10000E+01 volume   .15615E+00 ppm1      8.295 ppm2      1.368
 OR { 2528}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI { 2549}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak  2549 weight   .10000E+01 volume   .23726E+00 ppm1      7.206 ppm2      1.843
 OR { 2549}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2559}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 48   and name HB1 ))
      3.200     1.300     1.300 peak  2559 weight   .10000E+01 volume   .16290E+00 ppm1      6.854 ppm2      1.839
 OR { 2559}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2582}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700      .900      .900 peak  2582 weight   .10000E+01 volume   .42492E+00 ppm1      7.735 ppm2      4.199
 OR { 2582}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 2586}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      2.500      .800      .800 peak  2586 weight   .10000E+01 volume   .65747E+00 ppm1      7.736 ppm2      1.309
 OR { 2586}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2624}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.000     1.100     1.100 peak  2624 weight   .10000E+01 volume   .20529E+00 ppm1      7.735 ppm2      1.588
 OR { 2624}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
 ASSI { 2706}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak  2706 weight   .10000E+01 volume   .18879E+00 ppm1      7.068 ppm2      4.101
 OR { 2706}
   (( segid "    " and resid 35   and name HE22))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2724}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak  2724 weight   .10000E+01 volume   .13175E+00 ppm1      6.674 ppm2      4.104
 OR { 2724}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2729}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 62   and name HB1 ))
      3.500     1.500     1.500 peak  2729 weight   .10000E+01 volume   .85860E-01 ppm1      6.672 ppm2      1.501
 OR { 2729}
   (( segid "    " and resid 35   and name HE21))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI { 2933}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak  2933 weight   .10000E+01 volume   .14639E+00 ppm1      7.952 ppm2      3.957
 OR { 2933}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 2946}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
      3.400     1.400     1.400 peak  2946 weight   .10000E+01 volume   .10636E+00 ppm1      7.949 ppm2      1.084
 OR { 2946}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 3020}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.600     1.600     1.600 peak  3020 weight   .10000E+01 volume   .79530E-01 ppm1      7.786 ppm2      2.126
 OR { 3020}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 OR { 3020}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 55   and name HG12))
 OR { 3020}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 55   and name HG11))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1   4.136  16.725  -7.967
    2   2H    TYR   1          2H        TYR   1   4.116  18.310  -8.621
    3   3H    TYR   1          3H        TYR   1   2.672  17.618  -8.003
    4    HA   TYR   1           HA       TYR   1   3.829  19.291  -6.588
    5   1HB   TYR   1          2HB       TYR   1   3.080  16.504  -5.704
    6   2HB   TYR   1          1HB       TYR   1   3.446  17.784  -4.551
    7    HD1  TYR   1           HD1      TYR   1   2.117  20.063  -5.070
    8    HD2  TYR   1           HD2      TYR   1   0.860  16.162  -6.210
    9    HE1  TYR   1           HE1      TYR   1  -0.206  20.858  -5.206
   10    HE2  TYR   1           HE2      TYR   1  -1.467  16.946  -6.348
   11    HH   TYR   1           HH       TYR   1  -2.637  19.484  -4.976
   12    H    HIS   2           H        HIS   2   5.980  17.794  -8.111
   13    HA   HIS   2           HA       HIS   2   8.175  17.216  -7.891
   14   1HB   HIS   2          1HB       HIS   2   7.797  19.304  -5.762
   15   2HB   HIS   2          2HB       HIS   2   9.368  18.558  -6.028
   16    HD1  HIS   2           HD1      HIS   2   8.610  21.614  -6.546
   17    HD2  HIS   2           HD2      HIS   2   8.984  18.633  -9.418
   18    HE1  HIS   2           HE1      HIS   2   9.103  22.813  -8.701
   19    HE2  HIS   2           HE2      HIS   2   9.325  20.991 -10.426
   20    H    ALA   3           H        ALA   3   8.110  15.070  -7.367
   21    HA   ALA   3           HA       ALA   3   8.550  13.207  -6.128
   22   1HB   ALA   3          1HB       ALA   3  10.111  15.095  -4.995
   23   2HB   ALA   3          2HB       ALA   3  10.061  13.411  -4.473
   24   3HB   ALA   3          3HB       ALA   3   9.116  14.629  -3.616
   25    H    ASP   4           H        ASP   4   7.491  11.813  -4.696
   26    HA   ASP   4           HA       ASP   4   5.303  12.927  -3.101
   27   1HB   ASP   4          1HB       ASP   4   3.893  10.937  -4.025
   28   2HB   ASP   4          2HB       ASP   4   4.043  12.403  -4.990
   29    HA   PRO   5           HA       PRO   5   7.829   9.690  -0.871
   30   1HB   PRO   5          2HB       PRO   5   7.103  11.475   1.377
   31   2HB   PRO   5          1HB       PRO   5   8.671  10.786   0.949
   32   1HG   PRO   5          1HG       PRO   5   8.146  13.374   0.546
   33   2HG   PRO   5          2HG       PRO   5   9.124  12.444  -0.603
   34   1HD   PRO   5          2HD       PRO   5   6.262  13.293  -0.799
   35   2HD   PRO   5          1HD       PRO   5   7.511  13.237  -2.061
   36    H    SER   6           H        SER   6   4.806  11.314   0.020
   37    HA   SER   6           HA       SER   6   3.890   9.343   1.818
   38   1HB   SER   6          2HB       SER   6   3.037  11.773   1.420
   39   2HB   SER   6          1HB       SER   6   2.015  11.035   0.187
   40    HG   SER   6           HG       SER   6   1.560  11.152   2.767
   41    H    LEU   7           H        LEU   7   4.537   7.454   0.493
   42    HA   LEU   7           HA       LEU   7   2.334   6.090  -0.500
   43   1HB   LEU   7          1HB       LEU   7   2.349   7.562  -2.400
   44   2HB   LEU   7          2HB       LEU   7   4.067   7.315  -2.642
   45    HG   LEU   7           HG       LEU   7   2.447   6.118  -4.228
   46   1HD1  LEU   7          1HD1      LEU   7   4.956   5.631  -3.660
   47   2HD1  LEU   7          2HD1      LEU   7   4.020   4.510  -4.649
   48   3HD1  LEU   7          3HD1      LEU   7   4.289   4.166  -2.940
   49   1HD2  LEU   7          1HD2      LEU   7   2.274   4.095  -2.025
   50   2HD2  LEU   7          2HD2      LEU   7   1.370   4.170  -3.536
   51   3HD2  LEU   7          3HD2      LEU   7   1.032   5.326  -2.249
   52    H    VAL   8           H        VAL   8   5.806   6.481  -1.163
   53    HA   VAL   8           HA       VAL   8   6.311   3.721  -1.536
   54    HB   VAL   8           HB       VAL   8   8.271   5.866  -0.716
   55   1HG1  VAL   8          1HG2      VAL   8   9.986   4.440  -1.460
   56   2HG1  VAL   8          2HG2      VAL   8   8.848   3.343  -2.242
   57   3HG1  VAL   8          3HG2      VAL   8   8.931   3.420  -0.482
   58   1HG2  VAL   8          1HG1      VAL   8   8.568   5.303  -3.430
   59   2HG2  VAL   8          2HG1      VAL   8   7.897   6.770  -2.715
   60   3HG2  VAL   8          3HG1      VAL   8   6.829   5.446  -3.180
   61    H    SER   9           H        SER   9   6.918   5.884   1.227
   62    HA   SER   9           HA       SER   9   7.973   3.948   2.949
   63   1HB   SER   9          1HB       SER   9   6.428   5.991   4.342
   64   2HB   SER   9          2HB       SER   9   8.166   5.689   4.363
   65    HG   SER   9           HG       SER   9   8.451   7.083   2.760
   66    H    PHE  10           H        PHE  10   4.708   4.622   2.014
   67    HA   PHE  10           HA       PHE  10   3.570   3.149   4.239
   68   1HB   PHE  10          2HB       PHE  10   2.615   5.050   2.311
   69   2HB   PHE  10          1HB       PHE  10   1.613   3.605   2.240
   70    HD1  PHE  10           HD1      PHE  10   1.272   6.621   3.360
   71    HD2  PHE  10           HD2      PHE  10   1.659   2.737   5.056
   72    HE1  PHE  10           HE1      PHE  10   0.046   7.375   5.355
   73    HE2  PHE  10           HE2      PHE  10   0.435   3.484   7.055
   74    HZ   PHE  10           HZ       PHE  10  -0.374   5.806   7.207
   75    H    LEU  11           H        LEU  11   3.718   2.791   0.695
   76    HA   LEU  11           HA       LEU  11   2.415   0.394   0.399
   77   1HB   LEU  11          2HB       LEU  11   3.484   1.924  -1.367
   78   2HB   LEU  11          1HB       LEU  11   4.955   1.013  -1.083
   79    HG   LEU  11           HG       LEU  11   3.587   0.282  -3.066
   80   1HD1  LEU  11          1HD1      LEU  11   3.643  -2.079  -1.315
   81   2HD1  LEU  11          2HD1      LEU  11   5.143  -1.154  -1.387
   82   3HD1  LEU  11          3HD1      LEU  11   4.429  -1.793  -2.867
   83   1HD2  LEU  11          1HD2      LEU  11   1.575  -0.929  -2.759
   84   2HD2  LEU  11          2HD2      LEU  11   1.394   0.578  -1.862
   85   3HD2  LEU  11          3HD2      LEU  11   1.755  -0.920  -1.005
   86    H    THR  12           H        THR  12   5.886   0.835   0.978
   87    HA   THR  12           HA       THR  12   6.357  -1.964   1.340
   88    HB   THR  12           HB       THR  12   8.058   0.462   1.942
   89    HG1  THR  12           HG1      THR  12   7.499  -0.213  -0.304
   90   1HG2  THR  12          1HG2      THR  12   9.243  -0.953   3.216
   91   2HG2  THR  12          2HG2      THR  12   9.854  -1.494   1.652
   92   3HG2  THR  12          3HG2      THR  12   8.563  -2.390   2.452
   93    H    GLY  13           H        GLY  13   6.147   0.843   3.514
   94   1HA   GLY  13          2HA       GLY  13   6.739  -0.356   5.929
   95   2HA   GLY  13          1HA       GLY  13   5.596   0.967   5.744
   96    H    LEU  14           H        LEU  14   3.837  -0.646   4.016
   97    HA   LEU  14           HA       LEU  14   2.113  -1.674   5.975
   98   1HB   LEU  14          2HB       LEU  14   1.988  -1.041   3.288
   99   2HB   LEU  14          1HB       LEU  14   1.787  -2.778   3.287
  100    HG   LEU  14           HG       LEU  14  -0.210  -2.658   4.539
  101   1HD1  LEU  14          1HD2      LEU  14   0.865  -0.053   5.388
  102   2HD1  LEU  14          2HD2      LEU  14  -0.093  -1.234   6.282
  103   3HD1  LEU  14          3HD2      LEU  14  -0.883  -0.123   5.161
  104   1HD2  LEU  14          1HD1      LEU  14  -1.590  -1.610   3.044
  105   2HD2  LEU  14          2HD1      LEU  14  -0.099  -1.682   2.101
  106   3HD2  LEU  14          3HD1      LEU  14  -0.555  -0.188   2.918
  107    H    GLY  15           H        GLY  15   4.881  -3.033   4.522
  108   1HA   GLY  15          1HA       GLY  15   5.705  -5.075   5.630
  109   2HA   GLY  15          2HA       GLY  15   4.072  -5.707   5.474
  110    H    CYS  16           H        CYS  16   5.050  -3.886   2.773
  111    HA   CYS  16           HA       CYS  16   5.689  -6.375   1.327
  112   1HB   CYS  16          2HB       CYS  16   4.091  -3.960   0.518
  113   2HB   CYS  16          1HB       CYS  16   4.822  -5.003  -0.697
  114    HG   CYS  16           HG       CYS  16   3.285  -6.845   0.919
  115    HA   PRO  17           HA       PRO  17   9.326  -3.452   1.000
  116   1HB   PRO  17          2HB       PRO  17  11.215  -5.191   1.845
  117   2HB   PRO  17          1HB       PRO  17  10.275  -4.194   2.959
  118   1HG   PRO  17          1HG       PRO  17   9.898  -7.066   2.204
  119   2HG   PRO  17          2HG       PRO  17   9.797  -6.308   3.804
  120   1HD   PRO  17          2HD       PRO  17   7.606  -6.930   2.317
  121   2HD   PRO  17          1HD       PRO  17   7.647  -5.568   3.454
  122    H    ASN  18           H        ASN  18   8.505  -6.606  -0.155
  123    HA   ASN  18           HA       ASN  18  10.273  -6.186  -2.466
  124   1HB   ASN  18          2HB       ASN  18  11.025  -8.017  -0.806
  125   2HB   ASN  18          1HB       ASN  18   9.658  -8.942  -1.422
  126   1HD2  ASN  18          2HD2      ASN  18  10.509 -10.467  -2.654
  127   2HD2  ASN  18          1HD2      ASN  18  11.638 -10.212  -3.937
  128    H    CYS  19           H        CYS  19   7.336  -5.752  -1.838
  129    HA   CYS  19           HA       CYS  19   6.210  -7.450  -3.960
  130   1HB   CYS  19          1HB       CYS  19   5.247  -6.819  -1.356
  131   2HB   CYS  19          2HB       CYS  19   4.161  -6.071  -2.523
  132    HG   CYS  19           HG       CYS  19   4.724  -9.047  -3.003
  133    H    ILE  20           H        ILE  20   6.781  -4.208  -2.879
  134    HA   ILE  20           HA       ILE  20   5.060  -2.727  -4.453
  135    HB   ILE  20           HB       ILE  20   6.526  -1.704  -2.793
  136   1HG1  ILE  20          1HG1      ILE  20   7.506  -0.367  -5.246
  137   2HG1  ILE  20          2HG1      ILE  20   5.763  -0.602  -5.152
  138   1HG2  ILE  20          1HG2      ILE  20   8.482  -3.245  -3.702
  139   2HG2  ILE  20          2HG2      ILE  20   8.799  -1.734  -2.848
  140   3HG2  ILE  20          3HG2      ILE  20   8.868  -1.783  -4.611
  141   1HD1  ILE  20          1HD1      ILE  20   7.477   0.832  -3.140
  142   2HD1  ILE  20          2HD1      ILE  20   5.740   0.560  -2.995
  143   3HD1  ILE  20          3HD1      ILE  20   6.370   1.569  -4.298
  144    H    GLU  21           H        GLU  21   8.032  -4.373  -5.336
  145    HA   GLU  21           HA       GLU  21   8.485  -3.213  -7.838
  146   1HB   GLU  21          2HB       GLU  21   9.013  -6.050  -6.934
  147   2HB   GLU  21          1HB       GLU  21   9.701  -5.304  -8.371
  148   1HG   GLU  21          1HG       GLU  21  10.171  -3.721  -5.992
  149   2HG   GLU  21          2HG       GLU  21  10.809  -5.358  -5.844
  150    H    TYR  22           H        TYR  22   6.481  -5.982  -6.909
  151    HA   TYR  22           HA       TYR  22   5.640  -6.573  -9.574
  152   1HB   TYR  22          1HB       TYR  22   4.373  -7.351  -6.935
  153   2HB   TYR  22          2HB       TYR  22   4.012  -8.068  -8.502
  154    HD1  TYR  22           HD1      TYR  22   5.354  -9.804  -9.386
  155    HD2  TYR  22           HD2      TYR  22   6.667  -7.661  -5.952
  156    HE1  TYR  22           HE1      TYR  22   7.148 -11.454  -9.048
  157    HE2  TYR  22           HE2      TYR  22   8.462  -9.302  -5.607
  158    HH   TYR  22           HH       TYR  22   9.759 -11.016  -7.380
  159    H    PHE  23           H        PHE  23   4.449  -4.571  -6.963
  160    HA   PHE  23           HA       PHE  23   1.901  -4.044  -8.152
  161   1HB   PHE  23          1HB       PHE  23   3.433  -3.033  -5.809
  162   2HB   PHE  23          2HB       PHE  23   2.175  -1.985  -6.458
  163    HD1  PHE  23           HD1      PHE  23  -0.171  -2.742  -6.490
  164    HD2  PHE  23           HD2      PHE  23   2.898  -5.007  -4.602
  165    HE1  PHE  23           HE1      PHE  23  -1.876  -4.019  -5.259
  166    HE2  PHE  23           HE2      PHE  23   1.198  -6.288  -3.367
  167    HZ   PHE  23           HZ       PHE  23  -1.192  -5.795  -3.695
  168    H    THR  24           H        THR  24   4.982  -2.290  -7.959
  169    HA   THR  24           HA       THR  24   4.231   0.046  -9.265
  170    HB   THR  24           HB       THR  24   6.635   0.260  -9.875
  171    HG1  THR  24           HG1      THR  24   8.024  -1.424  -9.175
  172   1HG2  THR  24          1HG2      THR  24   7.325  -0.538  -7.317
  173   2HG2  THR  24          2HG2      THR  24   5.622  -0.096  -7.203
  174   3HG2  THR  24          3HG2      THR  24   6.795   1.066  -7.825
  175    H    SER  25           H        SER  25   5.001  -3.113 -10.545
  176    HA   SER  25           HA       SER  25   5.525  -2.590 -13.190
  177   1HB   SER  25          2HB       SER  25   4.101  -4.850 -11.817
  178   2HB   SER  25          1HB       SER  25   4.212  -4.818 -13.577
  179    HG   SER  25           HG       SER  25   6.047  -5.611 -11.849
  180    H    GLN  26           H        GLN  26   2.531  -2.232 -11.485
  181    HA   GLN  26           HA       GLN  26   1.062  -1.830 -13.989
  182   1HB   GLN  26          2HB       GLN  26  -0.272  -1.615 -11.329
  183   2HB   GLN  26          1HB       GLN  26  -0.896  -2.242 -12.848
  184   1HG   GLN  26          2HG       GLN  26   1.190  -3.660 -11.217
  185   2HG   GLN  26          1HG       GLN  26  -0.543  -3.927 -11.022
  186   1HE2  GLN  26          2HE2      GLN  26   1.000  -6.031 -11.646
  187   2HE2  GLN  26          1HE2      GLN  26   0.738  -6.522 -13.280
  188    H    GLY  27           H        GLY  27   1.717  -0.204 -10.895
  189   1HA   GLY  27          1HA       GLY  27   2.385   2.257 -11.604
  190   2HA   GLY  27          2HA       GLY  27   0.666   2.301 -11.964
  191    H    LEU  28           H        LEU  28   2.451   0.799  -9.280
  192    HA   LEU  28           HA       LEU  28   0.657   2.173  -7.427
  193   1HB   LEU  28          1HB       LEU  28   1.718  -0.428  -7.546
  194   2HB   LEU  28          2HB       LEU  28   2.486   0.336  -6.167
  195    HG   LEU  28           HG       LEU  28   0.410  -0.929  -5.619
  196   1HD1  LEU  28          1HD2      LEU  28  -0.685   1.211  -4.493
  197   2HD1  LEU  28          2HD2      LEU  28   0.840   1.938  -4.997
  198   3HD1  LEU  28          3HD2      LEU  28   0.843   0.533  -3.932
  199   1HD2  LEU  28          1HD1      LEU  28  -1.597   0.856  -6.271
  200   2HD2  LEU  28          2HD1      LEU  28  -1.306  -0.715  -7.017
  201   3HD2  LEU  28          3HD1      LEU  28  -0.631   0.744  -7.742
  202    H    GLN  29           H        GLN  29   2.632   3.768  -8.618
  203    HA   GLN  29           HA       GLN  29   4.624   4.151  -6.497
  204   1HB   GLN  29          1HB       GLN  29   5.773   5.633  -8.059
  205   2HB   GLN  29          2HB       GLN  29   5.482   4.065  -8.800
  206   1HG   GLN  29          1HG       GLN  29   4.387   5.002 -10.474
  207   2HG   GLN  29          2HG       GLN  29   3.290   5.818  -9.361
  208   1HE2  GLN  29          2HE2      GLN  29   3.756   7.919  -8.690
  209   2HE2  GLN  29          1HE2      GLN  29   4.873   8.923  -9.543
  210    H    SER  30           H        SER  30   1.851   5.573  -8.027
  211    HA   SER  30           HA       SER  30   2.032   7.915  -6.254
  212   1HB   SER  30          2HB       SER  30  -0.027   7.795  -8.399
  213   2HB   SER  30          1HB       SER  30   0.916   9.168  -7.820
  214    HG   SER  30           HG       SER  30   1.792   8.744  -9.753
  215    H    ILE  31           H        ILE  31   0.977   7.572  -4.400
  216    HA   ILE  31           HA       ILE  31  -0.795   5.595  -3.799
  217    HB   ILE  31           HB       ILE  31   0.268   7.271  -2.210
  218   1HG1  ILE  31          1HG1      ILE  31  -2.326   7.127  -1.047
  219   2HG1  ILE  31          2HG1      ILE  31  -2.104   5.688  -2.039
  220   1HG2  ILE  31          1HG2      ILE  31  -0.547   9.330  -3.134
  221   2HG2  ILE  31          2HG2      ILE  31  -1.208   9.137  -1.509
  222   3HG2  ILE  31          3HG2      ILE  31  -2.219   8.813  -2.919
  223   1HD1  ILE  31          1HD1      ILE  31  -1.106   6.212   0.546
  224   2HD1  ILE  31          2HD1      ILE  31   0.272   6.116  -0.551
  225   3HD1  ILE  31          3HD1      ILE  31  -0.873   4.778  -0.456
  226    H    TYR  32           H        TYR  32  -1.456   8.516  -5.548
  227    HA   TYR  32           HA       TYR  32  -4.238   8.650  -5.284
  228   1HB   TYR  32          1HB       TYR  32  -2.248   9.952  -6.804
  229   2HB   TYR  32          2HB       TYR  32  -3.428   9.344  -7.960
  230    HD1  TYR  32           HD1      TYR  32  -2.615  12.237  -6.628
  231    HD2  TYR  32           HD2      TYR  32  -5.948   9.597  -6.521
  232    HE1  TYR  32           HE1      TYR  32  -4.093  14.134  -6.111
  233    HE2  TYR  32           HE2      TYR  32  -7.437  11.486  -6.006
  234    HH   TYR  32           HH       TYR  32  -7.335  13.714  -5.088
  235    H    HIS  33           H        HIS  33  -2.222   6.407  -6.945
  236    HA   HIS  33           HA       HIS  33  -4.284   5.461  -8.732
  237   1HB   HIS  33          2HB       HIS  33  -1.532   5.340  -8.743
  238   2HB   HIS  33          1HB       HIS  33  -1.982   3.700  -8.287
  239    HD1  HIS  33           HD1      HIS  33  -1.814   2.328 -10.332
  240    HD2  HIS  33           HD2      HIS  33  -3.575   6.015 -11.085
  241    HE1  HIS  33           HE1      HIS  33  -2.482   2.271 -12.755
  242    HE2  HIS  33           HE2      HIS  33  -3.545   4.513 -13.191
  243    H    LEU  34           H        LEU  34  -3.250   4.817  -5.510
  244    HA   LEU  34           HA       LEU  34  -4.803   2.320  -5.479
  245   1HB   LEU  34          1HB       LEU  34  -3.554   2.136  -3.169
  246   2HB   LEU  34          2HB       LEU  34  -2.794   1.649  -4.669
  247    HG   LEU  34           HG       LEU  34  -2.385   4.423  -3.612
  248   1HD1  LEU  34          1HD1      LEU  34  -1.786   3.148  -1.724
  249   2HD1  LEU  34          2HD1      LEU  34  -0.278   3.507  -2.565
  250   3HD1  LEU  34          3HD1      LEU  34  -1.010   1.909  -2.710
  251   1HD2  LEU  34          1HD2      LEU  34  -0.070   3.631  -4.733
  252   2HD2  LEU  34          2HD2      LEU  34  -1.368   4.421  -5.624
  253   3HD2  LEU  34          3HD2      LEU  34  -1.213   2.667  -5.666
  254    H    GLN  35           H        GLN  35  -5.635   5.236  -5.187
  255    HA   GLN  35           HA       GLN  35  -6.483   5.642  -2.524
  256   1HB   GLN  35          1HB       GLN  35  -6.258   7.460  -4.187
  257   2HB   GLN  35          2HB       GLN  35  -7.611   6.783  -5.089
  258   1HG   GLN  35          1HG       GLN  35  -8.965   8.056  -3.910
  259   2HG   GLN  35          2HG       GLN  35  -8.543   7.116  -2.480
  260   1HE2  GLN  35          2HE2      GLN  35  -6.990   7.913  -1.052
  261   2HE2  GLN  35          1HE2      GLN  35  -6.523   9.576  -1.045
  262    H    ASN  36           H        ASN  36  -7.836   3.938  -5.215
  263    HA   ASN  36           HA       ASN  36 -10.299   3.445  -3.687
  264   1HB   ASN  36          2HB       ASN  36 -11.180   2.802  -6.030
  265   2HB   ASN  36          1HB       ASN  36 -10.926   4.502  -5.664
  266   1HD2  ASN  36          2HD2      ASN  36  -9.052   5.519  -6.404
  267   2HD2  ASN  36          1HD2      ASN  36  -8.278   4.978  -7.842
  268    H    LEU  37           H        LEU  37  -7.533   2.021  -5.103
  269    HA   LEU  37           HA       LEU  37  -8.213  -0.522  -5.766
  270   1HB   LEU  37          2HB       LEU  37  -5.832   0.809  -4.870
  271   2HB   LEU  37          1HB       LEU  37  -5.891  -0.804  -4.193
  272    HG   LEU  37           HG       LEU  37  -6.467  -0.586  -7.088
  273   1HD1  LEU  37          1HD2      LEU  37  -4.674   0.713  -7.462
  274   2HD1  LEU  37          2HD2      LEU  37  -3.768  -0.772  -7.169
  275   3HD1  LEU  37          3HD2      LEU  37  -3.985   0.401  -5.870
  276   1HD2  LEU  37          1HD1      LEU  37  -4.599  -2.435  -5.636
  277   2HD2  LEU  37          2HD1      LEU  37  -5.420  -2.685  -7.177
  278   3HD2  LEU  37          3HD1      LEU  37  -6.343  -2.697  -5.675
  279    H    THR  38           H        THR  38  -8.430  -2.512  -4.729
  280    HA   THR  38           HA       THR  38  -8.720  -2.501  -1.814
  281    HB   THR  38           HB       THR  38 -10.782  -4.099  -3.131
  282    HG1  THR  38           HG1      THR  38 -11.470  -2.630  -4.445
  283   1HG2  THR  38          1HG2      THR  38 -12.206  -2.571  -1.588
  284   2HG2  THR  38          2HG2      THR  38 -10.642  -2.143  -0.893
  285   3HG2  THR  38          3HG2      THR  38 -11.176  -3.825  -0.896
  286    H    ILE  39           H        ILE  39  -9.348  -4.900  -1.157
  287    HA   ILE  39           HA       ILE  39  -7.188  -6.567  -1.849
  288    HB   ILE  39           HB       ILE  39  -8.478  -6.808   0.248
  289   1HG1  ILE  39          1HG1      ILE  39  -8.581  -9.297   0.232
  290   2HG1  ILE  39          2HG1      ILE  39  -8.410  -9.265  -1.521
  291   1HG2  ILE  39          1HG2      ILE  39 -10.605  -8.241  -1.285
  292   2HG2  ILE  39          2HG2      ILE  39 -10.699  -6.500  -1.022
  293   3HG2  ILE  39          3HG2      ILE  39 -10.650  -7.599   0.356
  294   1HD1  ILE  39          1HD1      ILE  39  -6.298  -7.740  -0.411
  295   2HD1  ILE  39          2HD1      ILE  39  -6.217  -9.259  -1.303
  296   3HD1  ILE  39          3HD1      ILE  39  -6.388  -9.276   0.453
  297    H    GLU  40           H        GLU  40 -10.418  -6.160  -3.057
  298    HA   GLU  40           HA       GLU  40 -10.694  -8.435  -4.629
  299   1HB   GLU  40          1HB       GLU  40 -11.705  -5.694  -5.380
  300   2HB   GLU  40          2HB       GLU  40 -12.391  -7.248  -5.833
  301   1HG   GLU  40          1HG       GLU  40 -12.383  -7.292  -3.065
  302   2HG   GLU  40          2HG       GLU  40 -12.844  -5.641  -3.476
  303    H    ASP  41           H        ASP  41  -9.406  -5.244  -5.522
  304    HA   ASP  41           HA       ASP  41  -8.575  -6.146  -8.125
  305   1HB   ASP  41          2HB       ASP  41  -8.777  -3.620  -6.718
  306   2HB   ASP  41          1HB       ASP  41  -7.228  -3.757  -7.547
  307    H    LEU  42           H        LEU  42  -7.193  -6.007  -4.966
  308    HA   LEU  42           HA       LEU  42  -4.464  -5.930  -5.577
  309   1HB   LEU  42          2HB       LEU  42  -6.022  -7.120  -3.296
  310   2HB   LEU  42          1HB       LEU  42  -4.282  -7.270  -3.375
  311    HG   LEU  42           HG       LEU  42  -5.789  -5.172  -2.249
  312   1HD1  LEU  42          1HD2      LEU  42  -2.913  -4.762  -2.711
  313   2HD1  LEU  42          2HD2      LEU  42  -3.372  -6.272  -1.923
  314   3HD1  LEU  42          3HD2      LEU  42  -3.850  -4.728  -1.217
  315   1HD2  LEU  42          1HD1      LEU  42  -5.313  -3.216  -3.374
  316   2HD2  LEU  42          2HD1      LEU  42  -5.721  -4.304  -4.699
  317   3HD2  LEU  42          3HD1      LEU  42  -4.032  -3.954  -4.337
  318    H    GLY  43           H        GLY  43  -6.649  -8.702  -5.133
  319   1HA   GLY  43          1HA       GLY  43  -4.665 -10.655  -5.756
  320   2HA   GLY  43          2HA       GLY  43  -6.400 -10.922  -5.685
  321    H    ALA  44           H        ALA  44  -6.209  -8.428  -7.731
  322    HA   ALA  44           HA       ALA  44  -6.549 -10.094 -10.051
  323   1HB   ALA  44          1HB       ALA  44  -6.504  -7.088  -9.803
  324   2HB   ALA  44          2HB       ALA  44  -7.937  -8.113  -9.738
  325   3HB   ALA  44          3HB       ALA  44  -7.000  -7.999 -11.229
  326    H    LEU  45           H        LEU  45  -4.181  -7.715  -8.915
  327    HA   LEU  45           HA       LEU  45  -2.497  -7.505 -11.058
  328   1HB   LEU  45          2HB       LEU  45  -2.028  -7.588  -8.105
  329   2HB   LEU  45          1HB       LEU  45  -0.676  -7.440  -9.207
  330    HG   LEU  45           HG       LEU  45  -1.590  -5.367 -10.094
  331   1HD1  LEU  45          1HD2      LEU  45  -3.568  -4.342  -8.984
  332   2HD1  LEU  45          2HD2      LEU  45  -3.855  -5.887  -8.184
  333   3HD1  LEU  45          3HD2      LEU  45  -3.938  -5.776  -9.942
  334   1HD2  LEU  45          1HD1      LEU  45  -0.139  -4.990  -8.299
  335   2HD2  LEU  45          2HD1      LEU  45  -1.305  -5.589  -7.119
  336   3HD2  LEU  45          3HD1      LEU  45  -1.570  -4.036  -7.911
  337    H    LYS  46           H        LYS  46  -2.950 -10.184  -8.933
  338    HA   LYS  46           HA       LYS  46  -2.438 -12.396  -9.222
  339   1HB   LYS  46          2HB       LYS  46  -2.255 -11.961 -11.683
  340   2HB   LYS  46          1HB       LYS  46  -0.545 -11.620 -11.433
  341   1HG   LYS  46          2HG       LYS  46  -0.161 -13.778 -11.678
  342   2HG   LYS  46          1HG       LYS  46  -0.977 -14.014 -10.129
  343   1HD   LYS  46          1HD       LYS  46  -2.457 -15.268 -11.235
  344   2HD   LYS  46          2HD       LYS  46  -3.051 -13.767 -11.950
  345   1HE   LYS  46          2HE       LYS  46  -2.591 -14.821 -13.886
  346   2HE   LYS  46          1HE       LYS  46  -0.954 -14.255 -13.559
  347   1HZ   LYS  46          1HZ       LYS  46  -0.235 -16.325 -13.231
  348   2HZ   LYS  46          2HZ       LYS  46  -1.662 -16.830 -13.984
  349   3HZ   LYS  46          3HZ       LYS  46  -1.575 -16.761 -12.296
  350    H    ILE  47           H        ILE  47  -0.966 -10.260  -7.735
  351    HA   ILE  47           HA       ILE  47   1.739 -11.252  -7.504
  352    HB   ILE  47           HB       ILE  47   0.448  -9.419  -5.508
  353   1HG1  ILE  47          2HG1      ILE  47   1.528  -8.643  -8.228
  354   2HG1  ILE  47          1HG1      ILE  47  -0.144  -8.507  -7.692
  355   1HG2  ILE  47          1HG2      ILE  47   2.676 -10.200  -5.002
  356   2HG2  ILE  47          2HG2      ILE  47   2.726  -8.484  -5.403
  357   3HG2  ILE  47          3HG2      ILE  47   3.250  -9.681  -6.586
  358   1HD1  ILE  47          1HD1      ILE  47   2.129  -7.044  -6.387
  359   2HD1  ILE  47          2HD1      ILE  47   0.399  -6.790  -6.156
  360   3HD1  ILE  47          3HD1      ILE  47   1.153  -6.377  -7.695
  361    HA   PRO  48           HA       PRO  48   1.144 -14.649  -4.724
  362   1HB   PRO  48          2HB       PRO  48   3.286 -13.211  -3.199
  363   2HB   PRO  48          1HB       PRO  48   3.143 -14.932  -3.578
  364   1HG   PRO  48          2HG       PRO  48   4.772 -13.340  -4.981
  365   2HG   PRO  48          1HG       PRO  48   3.864 -14.648  -5.760
  366   1HD   PRO  48          2HD       PRO  48   3.465 -11.722  -5.920
  367   2HD   PRO  48          1HD       PRO  48   2.994 -12.991  -7.068
  368    H    GLU  49           H        GLU  49  -0.207 -14.967  -3.049
  369    HA   GLU  49           HA       GLU  49  -1.346 -12.688  -1.725
  370   1HB   GLU  49          2HB       GLU  49  -2.589 -14.776  -2.494
  371   2HB   GLU  49          1HB       GLU  49  -1.891 -15.586  -1.099
  372   1HG   GLU  49          1HG       GLU  49  -2.917 -13.557   0.202
  373   2HG   GLU  49          2HG       GLU  49  -3.960 -13.453  -1.217
  374    H    GLN  50           H        GLN  50   1.133 -12.472  -0.924
  375    HA   GLN  50           HA       GLN  50   1.583 -13.910   1.553
  376   1HB   GLN  50          1HB       GLN  50   3.210 -11.617   0.456
  377   2HB   GLN  50          2HB       GLN  50   3.716 -12.842   1.613
  378   1HG   GLN  50          1HG       GLN  50   2.877 -14.169  -0.747
  379   2HG   GLN  50          2HG       GLN  50   3.961 -12.858  -1.209
  380   1HE2  GLN  50          2HE2      GLN  50   5.703 -14.029  -1.756
  381   2HE2  GLN  50          1HE2      GLN  50   6.597 -15.009  -0.652
  382    H    TYR  51           H        TYR  51   0.875 -10.612   0.486
  383    HA   TYR  51           HA       TYR  51  -0.167 -10.032   3.158
  384   1HB   TYR  51          1HB       TYR  51   1.478  -7.957   1.739
  385   2HB   TYR  51          2HB       TYR  51   1.048  -8.053   3.444
  386    HD1  TYR  51           HD1      TYR  51   2.153  -9.819   4.875
  387    HD2  TYR  51           HD2      TYR  51   3.490  -8.893   0.943
  388    HE1  TYR  51           HE1      TYR  51   4.314 -10.885   5.364
  389    HE2  TYR  51           HE2      TYR  51   5.655  -9.956   1.422
  390    HH   TYR  51           HH       TYR  51   6.552 -10.943   4.617
  391    H    ARG  52           H        ARG  52  -1.415 -10.616   0.572
  392    HA   ARG  52           HA       ARG  52  -2.319  -8.430  -0.838
  393   1HB   ARG  52          2HB       ARG  52  -2.894 -11.123  -0.784
  394   2HB   ARG  52          1HB       ARG  52  -4.416 -10.402  -0.290
  395   1HG   ARG  52          1HG       ARG  52  -4.476  -9.065  -2.311
  396   2HG   ARG  52          2HG       ARG  52  -2.901  -9.699  -2.795
  397   1HD   ARG  52          1HD       ARG  52  -4.780 -11.812  -2.172
  398   2HD   ARG  52          2HD       ARG  52  -5.380 -10.751  -3.446
  399    HE   ARG  52           HE       ARG  52  -2.715 -11.416  -4.003
  400   1HH1  ARG  52          1HH1      ARG  52  -5.863 -12.896  -3.859
  401   2HH1  ARG  52          2HH1      ARG  52  -5.496 -14.098  -5.052
  402   1HH2  ARG  52          2HH2      ARG  52  -2.220 -12.995  -5.575
  403   2HH2  ARG  52          1HH2      ARG  52  -3.426 -14.154  -6.028
  404    H    MET  53           H        MET  53  -4.023  -9.968   1.895
  405    HA   MET  53           HA       MET  53  -6.000  -8.008   2.164
  406   1HB   MET  53          2HB       MET  53  -6.421  -8.957   4.365
  407   2HB   MET  53          1HB       MET  53  -6.126 -10.244   3.204
  408   1HG   MET  53          2HG       MET  53  -3.676 -10.087   4.063
  409   2HG   MET  53          1HG       MET  53  -4.416  -9.295   5.454
  410   1HE   MET  53          1HE       MET  53  -5.213 -10.139   7.201
  411   2HE   MET  53          2HE       MET  53  -5.232 -11.834   7.687
  412   3HE   MET  53          3HE       MET  53  -6.669 -11.108   6.968
  413    H    THR  54           H        THR  54  -2.843  -8.332   3.760
  414    HA   THR  54           HA       THR  54  -3.002  -6.248   5.570
  415    HB   THR  54           HB       THR  54  -0.634  -7.208   3.955
  416    HG1  THR  54           HG1      THR  54  -1.441  -7.729   6.621
  417   1HG2  THR  54          1HG2      THR  54  -0.359  -4.884   4.953
  418   2HG2  THR  54          2HG2      THR  54   0.844  -6.102   5.371
  419   3HG2  THR  54          3HG2      THR  54  -0.425  -5.688   6.522
  420    H    ILE  55           H        ILE  55  -1.909  -6.130   2.190
  421    HA   ILE  55           HA       ILE  55  -1.389  -3.386   2.081
  422    HB   ILE  55           HB       ILE  55  -2.297  -5.194  -0.153
  423   1HG1  ILE  55          1HG1      ILE  55   0.534  -4.339   0.249
  424   2HG1  ILE  55          2HG1      ILE  55  -0.106  -5.615   1.283
  425   1HG2  ILE  55          1HG2      ILE  55  -2.575  -2.838  -0.714
  426   2HG2  ILE  55          2HG2      ILE  55  -1.259  -3.556  -1.643
  427   3HG2  ILE  55          3HG2      ILE  55  -0.901  -2.525  -0.259
  428   1HD1  ILE  55          1HD1      ILE  55   0.674  -6.918  -0.376
  429   2HD1  ILE  55          2HD1      ILE  55   0.537  -5.646  -1.591
  430   3HD1  ILE  55          3HD1      ILE  55  -0.895  -6.546  -1.092
  431    H    TRP  56           H        TRP  56  -4.336  -5.207   1.297
  432    HA   TRP  56           HA       TRP  56  -5.905  -3.072   0.427
  433   1HB   TRP  56          1HB       TRP  56  -6.720  -5.252   0.026
  434   2HB   TRP  56          2HB       TRP  56  -6.562  -5.713   1.715
  435    HD1  TRP  56           HD1      TRP  56  -8.511  -2.731   0.154
  436    HE1  TRP  56           HE1      TRP  56 -10.943  -2.871   1.001
  437    HE3  TRP  56           HE3      TRP  56  -8.187  -7.048   2.863
  438    HZ2  TRP  56           HZ2      TRP  56 -12.502  -4.565   2.589
  439    HZ3  TRP  56           HZ3      TRP  56 -10.201  -7.866   4.022
  440    HH2  TRP  56           HH2      TRP  56 -12.317  -6.649   3.888
  441    H    ARG  57           H        ARG  57  -5.979  -4.594   3.666
  442    HA   ARG  57           HA       ARG  57  -7.606  -2.744   4.909
  443   1HB   ARG  57          1HB       ARG  57  -6.726  -3.527   7.014
  444   2HB   ARG  57          2HB       ARG  57  -6.869  -4.891   5.914
  445   1HG   ARG  57          2HG       ARG  57  -4.630  -5.213   5.795
  446   2HG   ARG  57          1HG       ARG  57  -4.258  -3.502   6.010
  447   1HD   ARG  57          1HD       ARG  57  -5.328  -5.262   8.205
  448   2HD   ARG  57          2HD       ARG  57  -3.607  -4.993   7.926
  449    HE   ARG  57           HE       ARG  57  -5.491  -3.149   9.094
  450   1HH1  ARG  57          2HH2      ARG  57  -2.419  -3.511   7.494
  451   2HH1  ARG  57          1HH2      ARG  57  -1.774  -2.028   8.114
  452   1HH2  ARG  57          1HH1      ARG  57  -4.653  -1.194   9.915
  453   2HH2  ARG  57          2HH1      ARG  57  -3.044  -0.710   9.491
  454    H    GLY  58           H        GLY  58  -4.212  -2.514   4.117
  455   1HA   GLY  58          2HA       GLY  58  -3.709  -0.192   5.731
  456   2HA   GLY  58          1HA       GLY  58  -2.667  -0.828   4.464
  457    H    LEU  59           H        LEU  59  -4.643  -0.796   2.394
  458    HA   LEU  59           HA       LEU  59  -4.357   1.880   1.490
  459   1HB   LEU  59          1HB       LEU  59  -4.970  -0.579   0.344
  460   2HB   LEU  59          2HB       LEU  59  -6.442   0.352   0.150
  461    HG   LEU  59           HG       LEU  59  -5.202   2.102  -1.020
  462   1HD1  LEU  59          1HD2      LEU  59  -3.039   2.296  -0.502
  463   2HD1  LEU  59          2HD2      LEU  59  -2.776   1.023  -1.693
  464   3HD1  LEU  59          3HD2      LEU  59  -2.921   0.614   0.017
  465   1HD2  LEU  59          1HD1      LEU  59  -5.368  -0.671  -1.941
  466   2HD2  LEU  59          2HD1      LEU  59  -4.225   0.327  -2.840
  467   3HD2  LEU  59          3HD1      LEU  59  -5.915   0.818  -2.712
  468    H    GLN  60           H        GLN  60  -7.045   0.009   2.815
  469    HA   GLN  60           HA       GLN  60  -9.055   1.950   2.496
  470   1HB   GLN  60          1HB       GLN  60  -8.712  -0.295   4.485
  471   2HB   GLN  60          2HB       GLN  60 -10.153   0.711   4.425
  472   1HG   GLN  60          1HG       GLN  60 -10.412   0.024   2.028
  473   2HG   GLN  60          2HG       GLN  60  -9.116  -1.141   2.300
  474   1HE2  GLN  60          1HE2      GLN  60  -9.450  -2.744   3.970
  475   2HE2  GLN  60          2HE2      GLN  60 -11.050  -3.307   4.297
  476    H    ASP  61           H        ASP  61  -6.470   1.598   4.780
  477    HA   ASP  61           HA       ASP  61  -7.393   3.187   6.884
  478   1HB   ASP  61          2HB       ASP  61  -5.156   1.782   6.514
  479   2HB   ASP  61          1HB       ASP  61  -4.524   3.370   6.087
  480    H    LEU  62           H        LEU  62  -5.817   4.041   3.844
  481    HA   LEU  62           HA       LEU  62  -5.425   6.773   4.328
  482   1HB   LEU  62          1HB       LEU  62  -6.091   5.462   1.689
  483   2HB   LEU  62          2HB       LEU  62  -5.315   7.019   1.909
  484    HG   LEU  62           HG       LEU  62  -3.961   4.672   3.119
  485   1HD1  LEU  62          1HD2      LEU  62  -3.910   5.197   0.150
  486   2HD1  LEU  62          2HD2      LEU  62  -4.691   3.820   0.928
  487   3HD1  LEU  62          3HD2      LEU  62  -2.941   4.013   1.026
  488   1HD2  LEU  62          1HD1      LEU  62  -2.886   6.957   1.484
  489   2HD2  LEU  62          2HD1      LEU  62  -1.997   5.887   2.568
  490   3HD2  LEU  62          3HD1      LEU  62  -3.154   7.045   3.224
  491    H    LYS  63           H        LYS  63  -8.119   5.106   2.717
  492    HA   LYS  63           HA       LYS  63  -9.712   7.372   2.285
  493   1HB   LYS  63          1HB       LYS  63  -9.906   4.606   1.826
  494   2HB   LYS  63          2HB       LYS  63 -11.310   5.018   2.801
  495   1HG   LYS  63          1HG       LYS  63 -10.516   6.228   0.162
  496   2HG   LYS  63          2HG       LYS  63 -11.892   5.170   0.483
  497   1HD   LYS  63          1HD       LYS  63 -13.114   6.997   0.828
  498   2HD   LYS  63          2HD       LYS  63 -12.161   7.281   2.286
  499   1HE   LYS  63          2HE       LYS  63 -11.895   9.275   1.161
  500   2HE   LYS  63          1HE       LYS  63 -10.471   8.378   0.639
  501   1HZ   LYS  63          1HZ       LYS  63 -13.004   8.624  -0.890
  502   2HZ   LYS  63          2HZ       LYS  63 -11.626   7.782  -1.393
  503   3HZ   LYS  63          3HZ       LYS  63 -11.573   9.463  -1.217
  504    H    GLN  64           H        GLN  64  -9.423   5.204   5.046
  505    HA   GLN  64           HA       GLN  64 -11.639   6.104   6.512
  506   1HB   GLN  64          2HB       GLN  64  -9.029   4.829   7.294
  507   2HB   GLN  64          1HB       GLN  64 -10.194   5.324   8.514
  508   1HG   GLN  64          1HG       GLN  64 -11.629   3.861   6.592
  509   2HG   GLN  64          2HG       GLN  64 -10.145   2.963   6.910
  510   1HE2  GLN  64          2HE2      GLN  64 -10.602   1.396   8.277
  511   2HE2  GLN  64          1HE2      GLN  64 -11.531   1.549   9.726
  512    H    GLY  65           H        GLY  65  -8.332   6.756   7.606
  513   1HA   GLY  65          2HA       GLY  65  -7.437   9.013   7.713
  514   2HA   GLY  65          1HA       GLY  65  -9.081   9.590   7.942
  515    H    HIS  66           H        HIS  66  -6.490   9.756   9.537
  516    HA   HIS  66           HA       HIS  66  -7.621   8.830  12.096
  517   1HB   HIS  66          2HB       HIS  66  -5.112   8.916  12.815
  518   2HB   HIS  66          1HB       HIS  66  -5.703   7.530  11.902
  519    HD1  HIS  66           HD1      HIS  66  -5.289   7.822   9.173
  520    HD2  HIS  66           HD2      HIS  66  -2.877  10.005  11.758
  521    HE1  HIS  66           HE1      HIS  66  -3.277   8.483   7.817
  522    HE2  HIS  66           HE2      HIS  66  -1.829   9.804   9.401
  523    H    ASP  67           H        ASP  67  -8.539  10.623  12.919
  524    HA   ASP  67           HA       ASP  67  -6.799  12.831  13.608
  525   1HB   ASP  67          2HB       ASP  67  -8.744  14.413  12.789
  526   2HB   ASP  67          1HB       ASP  67  -7.479  13.893  11.683
  527    H    TYR  68           HN       TYR  68  -7.139  13.245  15.653
  528    HA   TYR  68           HA       TYR  68  -8.084  13.300  17.725
  529   1HB   TYR  68          2HB       TYR  68 -10.249  14.323  15.919
  530   2HB   TYR  68          1HB       TYR  68 -10.573  14.111  17.637
  531    HD1  TYR  68           HD1      TYR  68  -9.558  15.556  19.283
  532    HD2  TYR  68           HD2      TYR  68  -8.645  16.004  15.153
  533    HE1  TYR  68           HE1      TYR  68  -8.541  17.744  19.753
  534    HE2  TYR  68           HE2      TYR  68  -7.624  18.193  15.610
  535    HH   TYR  68           HH       TYR  68  -7.917  19.752  18.691
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1  10.422  13.588 -11.886
    2   2H    TYR   1          2H        TYR   1  11.385  12.793 -10.709
    3   3H    TYR   1          3H        TYR   1  12.093  13.324 -12.178
    4    HA   TYR   1           HA       TYR   1  12.737  14.856 -10.611
    5   1HB   TYR   1          1HB       TYR   1  10.965  15.493 -12.735
    6   2HB   TYR   1          2HB       TYR   1  10.580  16.571 -11.398
    7    HD1  TYR   1           HD1      TYR   1  13.770  15.181 -12.778
    8    HD2  TYR   1           HD2      TYR   1  11.546  18.639 -11.682
    9    HE1  TYR   1           HE1      TYR   1  15.693  16.596 -13.366
   10    HE2  TYR   1           HE2      TYR   1  13.463  20.063 -12.267
   11    HH   TYR   1           HH       TYR   1  16.453  19.113 -12.514
   12    H    HIS   2           H        HIS   2   9.188  15.051 -10.559
   13    HA   HIS   2           HA       HIS   2   9.281  15.845  -7.762
   14   1HB   HIS   2          1HB       HIS   2   6.910  15.595  -9.627
   15   2HB   HIS   2          2HB       HIS   2   6.898  16.334  -8.028
   16    HD1  HIS   2           HD1      HIS   2   9.545  17.989  -8.379
   17    HD2  HIS   2           HD2      HIS   2   6.395  17.868 -11.085
   18    HE1  HIS   2           HE1      HIS   2   9.721  20.116  -9.709
   19    HE2  HIS   2           HE2      HIS   2   7.804  20.022 -11.341
   20    H    ALA   3           H        ALA   3  10.077  13.683  -7.132
   21    HA   ALA   3           HA       ALA   3   8.662  11.312  -7.417
   22   1HB   ALA   3          1HB       ALA   3  10.563  12.322  -5.343
   23   2HB   ALA   3          2HB       ALA   3  10.789  11.052  -6.546
   24   3HB   ALA   3          3HB       ALA   3   9.769  10.761  -5.137
   25    H    ASP   4           H        ASP   4   7.643  10.126  -5.477
   26    HA   ASP   4           HA       ASP   4   5.901  11.915  -3.938
   27   1HB   ASP   4          2HB       ASP   4   5.092  10.092  -6.058
   28   2HB   ASP   4          1HB       ASP   4   4.290   9.717  -4.536
   29    HA   PRO   5           HA       PRO   5   8.123   8.622  -1.386
   30   1HB   PRO   5          2HB       PRO   5   7.857  10.936   0.476
   31   2HB   PRO   5          1HB       PRO   5   9.214   9.829   0.245
   32   1HG   PRO   5          1HG       PRO   5   9.297  12.297  -0.747
   33   2HG   PRO   5          2HG       PRO   5   9.954  10.929  -1.664
   34   1HD   PRO   5          2HD       PRO   5   7.405  12.430  -2.057
   35   2HD   PRO   5          1HD       PRO   5   8.490  11.708  -3.264
   36    H    SER   6           H        SER   6   5.374  10.748  -0.884
   37    HA   SER   6           HA       SER   6   4.316   9.326   1.356
   38   1HB   SER   6          2HB       SER   6   3.840  11.782   0.373
   39   2HB   SER   6          1HB       SER   6   2.491  10.920  -0.367
   40    HG   SER   6           HG       SER   6   3.054  11.358   2.347
   41    H    LEU   7           H        LEU   7   4.767   7.247  -0.009
   42    HA   LEU   7           HA       LEU   7   2.318   6.004  -0.488
   43   1HB   LEU   7          1HB       LEU   7   2.066   7.217  -2.496
   44   2HB   LEU   7          2HB       LEU   7   3.749   7.007  -2.932
   45    HG   LEU   7           HG       LEU   7   2.027   5.681  -4.258
   46   1HD1  LEU   7          1HD1      LEU   7   3.697   4.339  -4.849
   47   2HD1  LEU   7          2HD1      LEU   7   3.822   3.633  -3.239
   48   3HD1  LEU   7          3HD1      LEU   7   4.634   5.156  -3.601
   49   1HD2  LEU   7          1HD2      LEU   7   1.878   3.375  -2.743
   50   2HD2  LEU   7          2HD2      LEU   7   0.561   4.491  -3.097
   51   3HD2  LEU   7          3HD2      LEU   7   1.482   4.660  -1.606
   52    H    VAL   8           H        VAL   8   5.671   6.008  -1.686
   53    HA   VAL   8           HA       VAL   8   5.904   3.192  -1.844
   54    HB   VAL   8           HB       VAL   8   7.429   4.664  -3.056
   55   1HG1  VAL   8          1HG1      VAL   8   8.753   6.243  -2.123
   56   2HG1  VAL   8          2HG1      VAL   8   9.042   5.294  -0.664
   57   3HG1  VAL   8          3HG1      VAL   8   7.533   6.187  -0.850
   58   1HG2  VAL   8          1HG2      VAL   8   9.087   3.153  -3.008
   59   2HG2  VAL   8          2HG2      VAL   8   8.072   2.319  -1.831
   60   3HG2  VAL   8          3HG2      VAL   8   9.372   3.376  -1.282
   61    H    SER   9           H        SER   9   6.445   5.519   0.721
   62    HA   SER   9           HA       SER   9   7.797   3.742   2.487
   63   1HB   SER   9          2HB       SER   9   6.244   5.936   3.704
   64   2HB   SER   9          1HB       SER   9   7.955   5.541   3.863
   65    HG   SER   9           HG       SER   9   8.301   7.103   2.519
   66    H    PHE  10           H        PHE  10   4.464   4.386   1.753
   67    HA   PHE  10           HA       PHE  10   3.477   2.994   4.096
   68   1HB   PHE  10          1HB       PHE  10   2.296   4.575   1.887
   69   2HB   PHE  10          2HB       PHE  10   1.283   3.294   2.543
   70    HD1  PHE  10           HD1      PHE  10   3.323   6.225   3.572
   71    HD2  PHE  10           HD2      PHE  10   0.048   3.659   4.465
   72    HE1  PHE  10           HE1      PHE  10   2.692   7.689   5.447
   73    HE2  PHE  10           HE2      PHE  10  -0.589   5.117   6.341
   74    HZ   PHE  10           HZ       PHE  10   0.733   7.135   6.835
   75    H    LEU  11           H        LEU  11   3.534   2.486   0.577
   76    HA   LEU  11           HA       LEU  11   2.225   0.049   0.459
   77   1HB   LEU  11          2HB       LEU  11   3.280   1.611  -1.397
   78   2HB   LEU  11          1HB       LEU  11   4.635   0.510  -1.249
   79    HG   LEU  11           HG       LEU  11   2.947   0.036  -3.096
   80   1HD1  LEU  11          1HD1      LEU  11   4.378  -1.708  -2.823
   81   2HD1  LEU  11          2HD1      LEU  11   2.875  -2.489  -2.330
   82   3HD1  LEU  11          3HD1      LEU  11   4.002  -1.898  -1.110
   83   1HD2  LEU  11          1HD2      LEU  11   0.883  -0.928  -2.599
   84   2HD2  LEU  11          2HD2      LEU  11   0.995   0.439  -1.491
   85   3HD2  LEU  11          3HD2      LEU  11   1.308  -1.196  -0.909
   86    H    THR  12           H        THR  12   5.671   0.684   0.939
   87    HA   THR  12           HA       THR  12   6.249  -2.110   1.403
   88    HB   THR  12           HB       THR  12   7.941   0.382   1.675
   89    HG1  THR  12           HG1      THR  12   8.118   0.095  -0.383
   90   1HG2  THR  12          1HG2      THR  12   8.487  -2.336   2.537
   91   2HG2  THR  12          2HG2      THR  12   9.342  -0.834   2.889
   92   3HG2  THR  12          3HG2      THR  12   9.678  -1.710   1.395
   93    H    GLY  13           H        GLY  13   5.934   0.867   3.275
   94   1HA   GLY  13          2HA       GLY  13   6.764   0.060   5.769
   95   2HA   GLY  13          1HA       GLY  13   5.445   1.190   5.498
   96    H    LEU  14           H        LEU  14   3.824  -0.827   4.085
   97    HA   LEU  14           HA       LEU  14   2.319  -1.800   6.223
   98   1HB   LEU  14          2HB       LEU  14   2.072  -1.678   3.480
   99   2HB   LEU  14          1HB       LEU  14   2.185  -3.397   3.773
  100    HG   LEU  14           HG       LEU  14  -0.066  -3.195   3.908
  101   1HD1  LEU  14          1HD2      LEU  14  -0.829  -3.315   6.091
  102   2HD1  LEU  14          2HD2      LEU  14   0.316  -2.102   6.663
  103   3HD1  LEU  14          3HD2      LEU  14   0.880  -3.720   6.249
  104   1HD2  LEU  14          1HD1      LEU  14  -0.732  -0.805   5.204
  105   2HD2  LEU  14          2HD1      LEU  14  -0.909  -1.197   3.492
  106   3HD2  LEU  14          3HD1      LEU  14   0.561  -0.412   4.070
  107    H    GLY  15           H        GLY  15   5.210  -2.992   4.791
  108   1HA   GLY  15          1HA       GLY  15   6.455  -4.626   6.139
  109   2HA   GLY  15          2HA       GLY  15   4.937  -5.487   6.346
  110    H    CYS  16           H        CYS  16   5.513  -4.121   3.246
  111    HA   CYS  16           HA       CYS  16   6.276  -6.777   2.217
  112   1HB   CYS  16          1HB       CYS  16   4.708  -4.832   0.559
  113   2HB   CYS  16          2HB       CYS  16   4.792  -6.586   0.433
  114    HG   CYS  16           HG       CYS  16   3.174  -6.764   2.453
  115    HA   PRO  17           HA       PRO  17   9.437  -3.768   0.745
  116   1HB   PRO  17          2HB       PRO  17  11.621  -5.004   1.663
  117   2HB   PRO  17          1HB       PRO  17  10.600  -4.033   2.731
  118   1HG   PRO  17          2HG       PRO  17  10.739  -7.003   2.420
  119   2HG   PRO  17          1HG       PRO  17  10.562  -6.039   3.896
  120   1HD   PRO  17          2HD       PRO  17   8.483  -7.288   2.553
  121   2HD   PRO  17          1HD       PRO  17   8.295  -5.930   3.680
  122    H    ASN  18           H        ASN  18   8.301  -6.580  -0.295
  123    HA   ASN  18           HA       ASN  18  10.242  -6.737  -2.472
  124   1HB   ASN  18          2HB       ASN  18  10.743  -8.487  -0.674
  125   2HB   ASN  18          1HB       ASN  18   9.228  -9.250  -1.146
  126   1HD2  ASN  18          2HD2      ASN  18  12.520  -8.787  -1.887
  127   2HD2  ASN  18          1HD2      ASN  18  12.566  -9.732  -3.333
  128    H    CYS  19           H        CYS  19   7.438  -5.780  -2.064
  129    HA   CYS  19           HA       CYS  19   6.145  -7.479  -4.092
  130   1HB   CYS  19          1HB       CYS  19   5.209  -7.026  -1.564
  131   2HB   CYS  19          2HB       CYS  19   4.384  -5.764  -2.474
  132    HG   CYS  19           HG       CYS  19   3.423  -8.491  -2.354
  133    H    ILE  20           H        ILE  20   6.790  -4.209  -2.996
  134    HA   ILE  20           HA       ILE  20   5.260  -2.672  -4.656
  135    HB   ILE  20           HB       ILE  20   6.743  -1.693  -3.002
  136   1HG1  ILE  20          1HG1      ILE  20   8.033  -0.261  -5.087
  137   2HG1  ILE  20          2HG1      ILE  20   6.458  -0.756  -5.698
  138   1HG2  ILE  20          1HG2      ILE  20   8.616  -3.394  -3.798
  139   2HG2  ILE  20          2HG2      ILE  20   9.006  -1.888  -2.965
  140   3HG2  ILE  20          3HG2      ILE  20   9.138  -1.985  -4.722
  141   1HD1  ILE  20          1HD1      ILE  20   5.374   0.293  -3.794
  142   2HD1  ILE  20          2HD1      ILE  20   6.372   1.447  -4.682
  143   3HD1  ILE  20          3HD1      ILE  20   6.948   0.774  -3.157
  144    H    GLU  21           H        GLU  21   7.980  -4.661  -5.523
  145    HA   GLU  21           HA       GLU  21   8.633  -3.540  -8.007
  146   1HB   GLU  21          2HB       GLU  21   8.701  -6.477  -7.294
  147   2HB   GLU  21          1HB       GLU  21   9.668  -5.663  -8.514
  148   1HG   GLU  21          2HG       GLU  21  10.387  -4.247  -6.358
  149   2HG   GLU  21          1HG       GLU  21  10.010  -5.788  -5.590
  150    H    TYR  22           H        TYR  22   6.318  -6.068  -7.145
  151    HA   TYR  22           HA       TYR  22   5.386  -6.370  -9.852
  152   1HB   TYR  22          1HB       TYR  22   4.117  -7.393  -7.302
  153   2HB   TYR  22          2HB       TYR  22   3.810  -7.966  -8.938
  154    HD1  TYR  22           HD1      TYR  22   5.234  -9.569  -9.968
  155    HD2  TYR  22           HD2      TYR  22   6.325  -7.847  -6.233
  156    HE1  TYR  22           HE1      TYR  22   7.015 -11.246  -9.722
  157    HE2  TYR  22           HE2      TYR  22   8.110  -9.519  -5.978
  158    HH   TYR  22           HH       TYR  22   8.435 -12.037  -6.996
  159    H    PHE  23           H        PHE  23   4.492  -4.522  -7.047
  160    HA   PHE  23           HA       PHE  23   1.871  -3.836  -7.998
  161   1HB   PHE  23          1HB       PHE  23   3.581  -3.086  -5.676
  162   2HB   PHE  23          2HB       PHE  23   2.300  -1.968  -6.134
  163    HD1  PHE  23           HD1      PHE  23  -0.070  -2.853  -6.267
  164    HD2  PHE  23           HD2      PHE  23   3.109  -5.000  -4.426
  165    HE1  PHE  23           HE1      PHE  23  -1.708  -4.223  -5.044
  166    HE2  PHE  23           HE2      PHE  23   1.477  -6.373  -3.200
  167    HZ   PHE  23           HZ       PHE  23  -0.935  -5.985  -3.509
  168    H    THR  24           H        THR  24   5.033  -2.230  -7.875
  169    HA   THR  24           HA       THR  24   4.150   0.213  -9.015
  170    HB   THR  24           HB       THR  24   6.266  -0.068  -7.722
  171    HG1  THR  24           HG1      THR  24   6.939   1.640  -8.719
  172   1HG2  THR  24          1HG2      THR  24   6.824  -2.106  -9.527
  173   2HG2  THR  24          2HG2      THR  24   7.892  -1.442  -8.291
  174   3HG2  THR  24          3HG2      THR  24   7.938  -0.800  -9.934
  175    H    SER  25           H        SER  25   5.121  -2.848 -10.345
  176    HA   SER  25           HA       SER  25   5.805  -2.150 -12.940
  177   1HB   SER  25          1HB       SER  25   4.409  -4.592 -11.842
  178   2HB   SER  25          2HB       SER  25   4.879  -4.453 -13.536
  179    HG   SER  25           HG       SER  25   6.603  -5.386 -12.620
  180    H    GLN  26           H        GLN  26   2.737  -2.019 -11.376
  181    HA   GLN  26           HA       GLN  26   1.327  -1.742 -13.928
  182   1HB   GLN  26          1HB       GLN  26  -0.058  -1.592 -11.284
  183   2HB   GLN  26          2HB       GLN  26  -0.645  -2.220 -12.816
  184   1HG   GLN  26          2HG       GLN  26   1.370  -3.547 -11.020
  185   2HG   GLN  26          1HG       GLN  26  -0.324  -3.999 -11.201
  186   1HE2  GLN  26          2HE2      GLN  26  -0.159  -5.962 -12.058
  187   2HE2  GLN  26          1HE2      GLN  26   0.626  -6.331 -13.549
  188    H    GLY  27           H        GLY  27   1.491  -0.091 -10.776
  189   1HA   GLY  27          1HA       GLY  27   2.094   2.440 -11.577
  190   2HA   GLY  27          2HA       GLY  27   0.360   2.330 -11.840
  191    H    LEU  28           H        LEU  28   2.342   0.911  -9.262
  192    HA   LEU  28           HA       LEU  28   0.589   2.221  -7.320
  193   1HB   LEU  28          1HB       LEU  28   1.798  -0.354  -7.485
  194   2HB   LEU  28          2HB       LEU  28   2.427   0.448  -6.061
  195    HG   LEU  28           HG       LEU  28   0.411  -0.961  -5.644
  196   1HD1  LEU  28          1HD2      LEU  28  -0.883   1.101  -4.578
  197   2HD1  LEU  28          2HD2      LEU  28   0.630   1.916  -4.976
  198   3HD1  LEU  28          3HD2      LEU  28   0.641   0.500  -3.923
  199   1HD2  LEU  28          1HD1      LEU  28  -1.750  -0.229  -6.381
  200   2HD2  LEU  28          2HD1      LEU  28  -0.713  -0.429  -7.793
  201   3HD2  LEU  28          3HD1      LEU  28  -1.052   1.186  -7.170
  202    H    GLN  29           H        GLN  29   2.436   3.867  -8.575
  203    HA   GLN  29           HA       GLN  29   4.546   4.293  -6.581
  204   1HB   GLN  29          1HB       GLN  29   5.473   5.903  -8.213
  205   2HB   GLN  29          2HB       GLN  29   5.323   4.283  -8.878
  206   1HG   GLN  29          1HG       GLN  29   3.570   4.874 -10.266
  207   2HG   GLN  29          2HG       GLN  29   3.157   6.295  -9.306
  208   1HE2  GLN  29          2HE2      GLN  29   3.179   7.082 -11.642
  209   2HE2  GLN  29          1HE2      GLN  29   4.664   7.771 -12.195
  210    H    SER  30           H        SER  30   1.594   5.579  -7.855
  211    HA   SER  30           HA       SER  30   1.785   7.867  -6.011
  212   1HB   SER  30          2HB       SER  30  -0.255   7.916  -8.163
  213   2HB   SER  30          1HB       SER  30   0.745   9.223  -7.527
  214    HG   SER  30           HG       SER  30   1.103   7.995  -9.768
  215    H    ILE  31           H        ILE  31   0.710   7.389  -4.198
  216    HA   ILE  31           HA       ILE  31  -1.079   5.379  -3.761
  217    HB   ILE  31           HB       ILE  31  -0.036   6.914  -2.033
  218   1HG1  ILE  31          2HG1      ILE  31  -2.648   6.794  -0.926
  219   2HG1  ILE  31          1HG1      ILE  31  -2.481   5.420  -2.015
  220   1HG2  ILE  31          1HG2      ILE  31  -0.777   9.049  -2.866
  221   2HG2  ILE  31          2HG2      ILE  31  -1.452   8.786  -1.257
  222   3HG2  ILE  31          3HG2      ILE  31  -2.464   8.570  -2.684
  223   1HD1  ILE  31          1HD1      ILE  31  -1.079   6.017   0.517
  224   2HD1  ILE  31          2HD1      ILE  31  -0.172   5.180  -0.741
  225   3HD1  ILE  31          3HD1      ILE  31  -1.669   4.484  -0.125
  226    H    TYR  32           H        TYR  32  -1.687   8.423  -5.306
  227    HA   TYR  32           HA       TYR  32  -4.471   8.578  -5.083
  228   1HB   TYR  32          1HB       TYR  32  -2.410   9.676  -6.906
  229   2HB   TYR  32          2HB       TYR  32  -4.053   9.634  -7.540
  230    HD1  TYR  32           HD1      TYR  32  -5.256  11.572  -7.276
  231    HD2  TYR  32           HD2      TYR  32  -2.383  10.542  -4.311
  232    HE1  TYR  32           HE1      TYR  32  -5.794  13.632  -6.048
  233    HE2  TYR  32           HE2      TYR  32  -2.915  12.601  -3.074
  234    HH   TYR  32           HH       TYR  32  -3.903  14.701  -3.334
  235    H    HIS  33           H        HIS  33  -2.455   6.424  -6.870
  236    HA   HIS  33           HA       HIS  33  -4.533   5.639  -8.726
  237   1HB   HIS  33          2HB       HIS  33  -2.175   5.615  -9.425
  238   2HB   HIS  33          1HB       HIS  33  -1.816   4.422  -8.180
  239    HD1  HIS  33           HD1      HIS  33  -3.531   4.793 -11.497
  240    HD2  HIS  33           HD2      HIS  33  -2.479   1.801  -8.813
  241    HE1  HIS  33           HE1      HIS  33  -3.917   2.630 -12.718
  242    HE2  HIS  33           HE2      HIS  33  -3.274   0.831 -11.074
  243    H    LEU  34           H        LEU  34  -3.524   4.780  -5.561
  244    HA   LEU  34           HA       LEU  34  -5.096   2.296  -5.702
  245   1HB   LEU  34          2HB       LEU  34  -3.798   1.874  -3.464
  246   2HB   LEU  34          1HB       LEU  34  -3.055   1.546  -5.016
  247    HG   LEU  34           HG       LEU  34  -2.633   4.212  -3.714
  248   1HD1  LEU  34          1HD1      LEU  34  -1.691   1.619  -2.728
  249   2HD1  LEU  34          2HD1      LEU  34  -1.780   3.182  -1.917
  250   3HD1  LEU  34          3HD1      LEU  34  -0.422   2.816  -2.981
  251   1HD2  LEU  34          1HD2      LEU  34  -0.322   3.609  -4.851
  252   2HD2  LEU  34          2HD2      LEU  34  -1.662   4.285  -5.777
  253   3HD2  LEU  34          3HD2      LEU  34  -1.352   2.550  -5.815
  254    H    GLN  35           H        GLN  35  -5.500   5.387  -4.838
  255    HA   GLN  35           HA       GLN  35  -6.359   5.450  -2.217
  256   1HB   GLN  35          1HB       GLN  35  -6.208   7.316  -4.054
  257   2HB   GLN  35          2HB       GLN  35  -7.900   6.919  -4.324
  258   1HG   GLN  35          2HG       GLN  35  -8.267   8.477  -2.765
  259   2HG   GLN  35          1HG       GLN  35  -7.875   7.179  -1.638
  260   1HE2  GLN  35          2HE2      GLN  35  -6.936   8.307  -0.036
  261   2HE2  GLN  35          1HE2      GLN  35  -5.506   9.259  -0.215
  262    H    ASN  36           H        ASN  36  -8.054   4.293  -5.079
  263    HA   ASN  36           HA       ASN  36 -10.308   3.503  -3.357
  264   1HB   ASN  36          1HB       ASN  36 -10.137   4.434  -6.181
  265   2HB   ASN  36          2HB       ASN  36 -11.380   3.249  -5.788
  266   1HD2  ASN  36          2HD2      ASN  36 -10.581   6.484  -5.854
  267   2HD2  ASN  36          1HD2      ASN  36 -11.878   7.097  -4.894
  268    H    LEU  37           H        LEU  37  -7.681   2.067  -4.036
  269    HA   LEU  37           HA       LEU  37  -8.614  -0.274  -5.468
  270   1HB   LEU  37          2HB       LEU  37  -6.235   0.731  -5.532
  271   2HB   LEU  37          1HB       LEU  37  -6.009  -0.065  -3.988
  272    HG   LEU  37           HG       LEU  37  -6.664  -2.228  -5.151
  273   1HD1  LEU  37          1HD1      LEU  37  -6.540  -0.365  -7.480
  274   2HD1  LEU  37          2HD1      LEU  37  -7.700  -1.646  -7.126
  275   3HD1  LEU  37          3HD1      LEU  37  -6.075  -2.056  -7.676
  276   1HD2  LEU  37          1HD2      LEU  37  -4.461  -2.658  -5.850
  277   2HD2  LEU  37          2HD2      LEU  37  -4.321  -1.439  -4.583
  278   3HD2  LEU  37          3HD2      LEU  37  -4.181  -0.968  -6.276
  279    H    THR  38           H        THR  38  -8.557  -2.420  -4.561
  280    HA   THR  38           HA       THR  38  -8.742  -2.555  -1.634
  281    HB   THR  38           HB       THR  38 -10.716  -4.246  -2.966
  282    HG1  THR  38           HG1      THR  38 -11.957  -2.728  -3.837
  283   1HG2  THR  38          1HG2      THR  38 -11.181  -4.093  -0.761
  284   2HG2  THR  38          2HG2      THR  38 -12.181  -2.762  -1.343
  285   3HG2  THR  38          3HG2      THR  38 -10.600  -2.433  -0.632
  286    H    ILE  39           H        ILE  39  -9.152  -4.990  -1.035
  287    HA   ILE  39           HA       ILE  39  -6.916  -6.484  -1.833
  288    HB   ILE  39           HB       ILE  39  -8.156  -6.880   0.272
  289   1HG1  ILE  39          1HG1      ILE  39  -8.117  -9.390   0.141
  290   2HG1  ILE  39          2HG1      ILE  39  -7.875  -9.241  -1.598
  291   1HG2  ILE  39          1HG2      ILE  39 -10.192  -8.423  -1.281
  292   2HG2  ILE  39          2HG2      ILE  39 -10.412  -6.701  -0.968
  293   3HG2  ILE  39          3HG2      ILE  39 -10.266  -7.829   0.379
  294   1HD1  ILE  39          1HD1      ILE  39  -5.975  -7.690  -0.029
  295   2HD1  ILE  39          2HD1      ILE  39  -5.706  -8.809  -1.366
  296   3HD1  ILE  39          3HD1      ILE  39  -5.902  -9.426   0.275
  297    H    GLU  40           H        GLU  40 -10.195  -6.287  -2.963
  298    HA   GLU  40           HA       GLU  40 -10.354  -8.526  -4.588
  299   1HB   GLU  40          1HB       GLU  40 -11.554  -5.806  -5.127
  300   2HB   GLU  40          2HB       GLU  40 -12.093  -7.331  -5.817
  301   1HG   GLU  40          1HG       GLU  40 -12.037  -7.435  -2.930
  302   2HG   GLU  40          2HG       GLU  40 -13.041  -6.111  -3.519
  303    H    ASP  41           H        ASP  41  -9.180  -5.270  -5.363
  304    HA   ASP  41           HA       ASP  41  -8.387  -6.053  -8.029
  305   1HB   ASP  41          2HB       ASP  41  -8.387  -3.541  -6.437
  306   2HB   ASP  41          1HB       ASP  41  -7.194  -3.667  -7.726
  307    H    LEU  42           H        LEU  42  -6.920  -5.697  -4.892
  308    HA   LEU  42           HA       LEU  42  -4.229  -5.552  -5.487
  309   1HB   LEU  42          2HB       LEU  42  -5.721  -6.949  -3.278
  310   2HB   LEU  42          1HB       LEU  42  -3.975  -6.994  -3.358
  311    HG   LEU  42           HG       LEU  42  -5.588  -5.066  -2.104
  312   1HD1  LEU  42          1HD2      LEU  42  -3.048  -4.031  -2.129
  313   2HD1  LEU  42          2HD2      LEU  42  -2.784  -5.752  -2.414
  314   3HD1  LEU  42          3HD2      LEU  42  -3.675  -5.221  -0.988
  315   1HD2  LEU  42          1HD1      LEU  42  -5.245  -3.016  -3.112
  316   2HD2  LEU  42          2HD1      LEU  42  -5.638  -4.048  -4.484
  317   3HD2  LEU  42          3HD1      LEU  42  -3.960  -3.624  -4.155
  318    H    GLY  43           H        GLY  43  -6.227  -8.466  -5.102
  319   1HA   GLY  43          1HA       GLY  43  -4.146 -10.267  -5.855
  320   2HA   GLY  43          2HA       GLY  43  -5.855 -10.652  -5.719
  321    H    ALA  44           H        ALA  44  -6.333  -8.299  -7.636
  322    HA   ALA  44           HA       ALA  44  -6.624  -9.792  -9.992
  323   1HB   ALA  44          1HB       ALA  44  -6.317  -6.826 -10.109
  324   2HB   ALA  44          2HB       ALA  44  -7.689  -7.523  -9.249
  325   3HB   ALA  44          3HB       ALA  44  -7.452  -7.875 -10.960
  326    H    LEU  45           H        LEU  45  -4.135  -7.506  -8.962
  327    HA   LEU  45           HA       LEU  45  -2.563  -7.315 -11.194
  328   1HB   LEU  45          2HB       LEU  45  -1.944  -7.413  -8.268
  329   2HB   LEU  45          1HB       LEU  45  -0.649  -7.275  -9.438
  330    HG   LEU  45           HG       LEU  45  -1.542  -5.179 -10.247
  331   1HD1  LEU  45          1HD2      LEU  45  -3.899  -5.606 -10.071
  332   2HD1  LEU  45          2HD2      LEU  45  -3.505  -4.145  -9.166
  333   3HD1  LEU  45          3HD2      LEU  45  -3.794  -5.659  -8.310
  334   1HD2  LEU  45          1HD1      LEU  45  -0.078  -4.846  -8.447
  335   2HD2  LEU  45          2HD1      LEU  45  -1.259  -5.425  -7.272
  336   3HD2  LEU  45          3HD1      LEU  45  -1.491  -3.865  -8.062
  337    H    LYS  46           H        LYS  46  -2.935  -9.985  -9.039
  338    HA   LYS  46           HA       LYS  46  -2.491 -12.213  -9.392
  339   1HB   LYS  46          2HB       LYS  46  -2.263 -11.844 -11.836
  340   2HB   LYS  46          1HB       LYS  46  -0.576 -11.404 -11.580
  341   1HG   LYS  46          2HG       LYS  46   0.017 -13.517 -11.627
  342   2HG   LYS  46          1HG       LYS  46  -1.052 -13.852 -10.263
  343   1HD   LYS  46          2HD       LYS  46  -1.585 -15.281 -12.177
  344   2HD   LYS  46          1HD       LYS  46  -2.920 -14.190 -11.804
  345   1HE   LYS  46          1HE       LYS  46  -2.490 -12.841 -13.662
  346   2HE   LYS  46          2HE       LYS  46  -0.856 -13.477 -13.855
  347   1HZ   LYS  46          1HZ       LYS  46  -1.632 -15.420 -14.804
  348   2HZ   LYS  46          2HZ       LYS  46  -2.684 -14.265 -15.453
  349   3HZ   LYS  46          3HZ       LYS  46  -3.192 -15.246 -14.173
  350    H    ILE  47           H        ILE  47  -1.005 -10.069  -7.888
  351    HA   ILE  47           HA       ILE  47   1.655 -11.166  -7.565
  352    HB   ILE  47           HB       ILE  47   0.418  -9.174  -5.691
  353   1HG1  ILE  47          1HG1      ILE  47   1.557  -8.587  -8.434
  354   2HG1  ILE  47          2HG1      ILE  47  -0.109  -8.340  -7.918
  355   1HG2  ILE  47          1HG2      ILE  47   3.217  -9.613  -6.711
  356   2HG2  ILE  47          2HG2      ILE  47   2.601 -10.002  -5.105
  357   3HG2  ILE  47          3HG2      ILE  47   2.730  -8.319  -5.616
  358   1HD1  ILE  47          1HD1      ILE  47   2.274  -6.917  -6.765
  359   2HD1  ILE  47          2HD1      ILE  47   0.579  -6.621  -6.382
  360   3HD1  ILE  47          3HD1      ILE  47   1.195  -6.262  -7.995
  361    HA   PRO  48           HA       PRO  48   0.899 -14.404  -4.641
  362   1HB   PRO  48          2HB       PRO  48   2.954 -12.862  -3.090
  363   2HB   PRO  48          1HB       PRO  48   2.821 -14.606  -3.345
  364   1HG   PRO  48          2HG       PRO  48   4.526 -13.115  -4.776
  365   2HG   PRO  48          1HG       PRO  48   3.672 -14.492  -5.492
  366   1HD   PRO  48          2HD       PRO  48   3.297 -11.610  -5.959
  367   2HD   PRO  48          1HD       PRO  48   2.828 -12.985  -6.973
  368    H    GLU  49           H        GLU  49  -0.190 -14.738  -2.699
  369    HA   GLU  49           HA       GLU  49  -1.564 -12.388  -1.673
  370   1HB   GLU  49          1HB       GLU  49  -3.161 -13.896  -0.745
  371   2HB   GLU  49          2HB       GLU  49  -2.783 -14.482  -2.359
  372   1HG   GLU  49          1HG       GLU  49  -0.968 -15.809  -0.785
  373   2HG   GLU  49          2HG       GLU  49  -2.409 -15.750   0.229
  374    H    GLN  50           H        GLN  50   1.281 -13.123  -0.962
  375    HA   GLN  50           HA       GLN  50   1.491 -14.061   1.639
  376   1HB   GLN  50          2HB       GLN  50   3.180 -11.912   0.340
  377   2HB   GLN  50          1HB       GLN  50   3.636 -12.889   1.729
  378   1HG   GLN  50          2HG       GLN  50   3.708 -14.870   0.399
  379   2HG   GLN  50          1HG       GLN  50   3.026 -14.023  -0.988
  380   1HE2  GLN  50          2HE2      GLN  50   5.598 -15.480  -0.466
  381   2HE2  GLN  50          1HE2      GLN  50   6.823 -14.386  -0.994
  382    H    TYR  51           H        TYR  51   1.029 -10.725   0.504
  383    HA   TYR  51           HA       TYR  51  -0.099 -10.062   3.122
  384   1HB   TYR  51          1HB       TYR  51   1.698  -8.030   1.877
  385   2HB   TYR  51          2HB       TYR  51   1.303  -8.287   3.573
  386    HD1  TYR  51           HD1      TYR  51   3.650  -8.956   0.935
  387    HD2  TYR  51           HD2      TYR  51   2.366 -10.236   4.783
  388    HE1  TYR  51           HE1      TYR  51   5.779 -10.145   1.241
  389    HE2  TYR  51           HE2      TYR  51   4.493 -11.429   5.102
  390    HH   TYR  51           HH       TYR  51   6.781 -11.370   4.256
  391    H    ARG  52           H        ARG  52  -1.329 -10.533   0.552
  392    HA   ARG  52           HA       ARG  52  -1.944  -8.152  -0.806
  393   1HB   ARG  52          2HB       ARG  52  -2.559 -10.822  -1.124
  394   2HB   ARG  52          1HB       ARG  52  -4.118 -10.109  -0.740
  395   1HG   ARG  52          2HG       ARG  52  -4.276  -9.086  -2.723
  396   2HG   ARG  52          1HG       ARG  52  -2.575  -8.612  -2.724
  397   1HD   ARG  52          2HD       ARG  52  -2.671 -10.098  -4.492
  398   2HD   ARG  52          1HD       ARG  52  -2.135 -11.128  -3.165
  399    HE   ARG  52           HE       ARG  52  -4.965 -11.136  -3.386
  400   1HH1  ARG  52          1HH2      ARG  52  -2.072 -12.406  -4.848
  401   2HH1  ARG  52          2HH2      ARG  52  -2.853 -13.823  -5.470
  402   1HH2  ARG  52          2HH1      ARG  52  -6.003 -12.994  -4.198
  403   2HH2  ARG  52          1HH1      ARG  52  -5.090 -14.157  -5.100
  404    H    MET  53           H        MET  53  -3.750  -9.874   1.740
  405    HA   MET  53           HA       MET  53  -5.807  -7.947   1.931
  406   1HB   MET  53          2HB       MET  53  -6.483  -9.958   2.806
  407   2HB   MET  53          1HB       MET  53  -4.902 -10.324   3.475
  408   1HG   MET  53          2HG       MET  53  -5.306  -9.192   5.419
  409   2HG   MET  53          1HG       MET  53  -6.525  -8.151   4.691
  410   1HE   MET  53          1HE       MET  53  -7.057 -12.341   6.418
  411   2HE   MET  53          2HE       MET  53  -6.183 -11.033   7.216
  412   3HE   MET  53          3HE       MET  53  -5.583 -11.696   5.695
  413    H    THR  54           H        THR  54  -2.659  -8.296   3.408
  414    HA   THR  54           HA       THR  54  -2.924  -6.482   5.522
  415    HB   THR  54           HB       THR  54  -0.509  -7.211   3.856
  416    HG1  THR  54           HG1      THR  54  -0.232  -8.780   5.269
  417   1HG2  THR  54          1HG2      THR  54  -0.665  -5.670   6.422
  418   2HG2  THR  54          2HG2      THR  54   0.102  -5.193   4.906
  419   3HG2  THR  54          3HG2      THR  54   0.792  -6.499   5.872
  420    H    ILE  55           H        ILE  55  -1.763  -5.963   2.199
  421    HA   ILE  55           HA       ILE  55  -1.338  -3.192   2.443
  422    HB   ILE  55           HB       ILE  55  -2.034  -4.745  -0.048
  423   1HG1  ILE  55          1HG1      ILE  55   0.722  -3.915   0.838
  424   2HG1  ILE  55          2HG1      ILE  55   0.019  -5.443   1.359
  425   1HG2  ILE  55          1HG2      ILE  55  -0.776  -2.869  -1.160
  426   2HG2  ILE  55          2HG2      ILE  55  -0.871  -2.004   0.373
  427   3HG2  ILE  55          3HG2      ILE  55  -2.348  -2.437  -0.488
  428   1HD1  ILE  55          1HD1      ILE  55  -0.365  -5.819  -1.182
  429   2HD1  ILE  55          2HD1      ILE  55   1.231  -6.077  -0.479
  430   3HD1  ILE  55          3HD1      ILE  55   0.885  -4.588  -1.357
  431    H    TRP  56           H        TRP  56  -4.168  -5.076   1.438
  432    HA   TRP  56           HA       TRP  56  -5.794  -2.962   0.607
  433   1HB   TRP  56          1HB       TRP  56  -6.545  -5.140   0.103
  434   2HB   TRP  56          2HB       TRP  56  -6.372  -5.680   1.768
  435    HD1  TRP  56           HD1      TRP  56  -8.374  -2.596   0.544
  436    HE1  TRP  56           HE1      TRP  56 -10.820  -2.901   1.306
  437    HE3  TRP  56           HE3      TRP  56  -8.010  -7.258   2.585
  438    HZ2  TRP  56           HZ2      TRP  56 -12.373  -4.843   2.592
  439    HZ3  TRP  56           HZ3      TRP  56 -10.030  -8.278   3.566
  440    HH2  TRP  56           HH2      TRP  56 -12.169  -7.093   3.569
  441    H    ARG  57           H        ARG  57  -5.531  -4.501   3.809
  442    HA   ARG  57           HA       ARG  57  -7.341  -2.963   5.211
  443   1HB   ARG  57          2HB       ARG  57  -4.676  -3.842   6.323
  444   2HB   ARG  57          1HB       ARG  57  -6.171  -3.579   7.210
  445   1HG   ARG  57          1HG       ARG  57  -6.614  -5.525   5.164
  446   2HG   ARG  57          2HG       ARG  57  -5.201  -5.979   6.120
  447   1HD   ARG  57          1HD       ARG  57  -7.498  -5.019   7.679
  448   2HD   ARG  57          2HD       ARG  57  -7.772  -6.526   6.807
  449    HE   ARG  57           HE       ARG  57  -5.375  -6.898   8.043
  450   1HH1  ARG  57          1HH1      ARG  57  -8.563  -5.996   9.112
  451   2HH1  ARG  57          2HH1      ARG  57  -8.383  -6.711  10.679
  452   1HH2  ARG  57          2HH2      ARG  57  -5.125  -7.845  10.105
  453   2HH2  ARG  57          1HH2      ARG  57  -6.428  -7.762  11.244
  454    H    GLY  58           H        GLY  58  -3.920  -2.292   4.579
  455   1HA   GLY  58          1HA       GLY  58  -3.850   0.199   5.938
  456   2HA   GLY  58          2HA       GLY  58  -2.702  -0.346   4.724
  457    H    LEU  59           H        LEU  59  -4.575  -0.736   2.620
  458    HA   LEU  59           HA       LEU  59  -4.667   1.847   1.506
  459   1HB   LEU  59          1HB       LEU  59  -5.202  -0.812   0.671
  460   2HB   LEU  59          2HB       LEU  59  -6.621   0.141   0.288
  461    HG   LEU  59           HG       LEU  59  -5.416   1.559  -1.166
  462   1HD1  LEU  59          1HD2      LEU  59  -3.389   2.231  -0.551
  463   2HD1  LEU  59          2HD2      LEU  59  -2.771   0.713  -1.199
  464   3HD1  LEU  59          3HD2      LEU  59  -3.177   0.840   0.513
  465   1HD2  LEU  59          1HD1      LEU  59  -4.373   0.011  -2.747
  466   2HD2  LEU  59          2HD1      LEU  59  -5.886  -0.631  -2.110
  467   3HD2  LEU  59          3HD1      LEU  59  -4.346  -1.240  -1.503
  468    H    GLN  60           H        GLN  60  -7.017  -0.085   3.256
  469    HA   GLN  60           HA       GLN  60  -9.268   1.581   2.785
  470   1HB   GLN  60          2HB       GLN  60  -8.674  -0.344   5.043
  471   2HB   GLN  60          1HB       GLN  60 -10.236   0.416   4.768
  472   1HG   GLN  60          1HG       GLN  60 -10.315  -0.666   2.542
  473   2HG   GLN  60          2HG       GLN  60  -8.817  -1.508   2.941
  474   1HE2  GLN  60          1HE2      GLN  60  -8.909  -3.333   4.099
  475   2HE2  GLN  60          2HE2      GLN  60 -10.350  -4.002   4.777
  476    H    ASP  61           H        ASP  61  -6.592   1.676   4.992
  477    HA   ASP  61           HA       ASP  61  -7.653   3.446   6.915
  478   1HB   ASP  61          2HB       ASP  61  -5.376   2.024   6.764
  479   2HB   ASP  61          1HB       ASP  61  -4.755   3.594   6.257
  480    H    LEU  62           H        LEU  62  -6.201   3.914   3.774
  481    HA   LEU  62           HA       LEU  62  -5.750   6.709   4.000
  482   1HB   LEU  62          1HB       LEU  62  -6.234   5.140   1.468
  483   2HB   LEU  62          2HB       LEU  62  -5.387   6.668   1.624
  484    HG   LEU  62           HG       LEU  62  -4.350   4.246   3.046
  485   1HD1  LEU  62          1HD2      LEU  62  -4.820   3.759   0.580
  486   2HD1  LEU  62          2HD2      LEU  62  -3.186   3.465   1.177
  487   3HD1  LEU  62          3HD2      LEU  62  -3.536   4.917   0.239
  488   1HD2  LEU  62          1HD1      LEU  62  -3.482   6.598   3.399
  489   2HD2  LEU  62          2HD1      LEU  62  -2.865   6.513   1.749
  490   3HD2  LEU  62          3HD1      LEU  62  -2.286   5.377   2.967
  491    H    LYS  63           H        LYS  63  -8.374   4.774   2.606
  492    HA   LYS  63           HA       LYS  63  -9.923   6.918   1.661
  493   1HB   LYS  63          1HB       LYS  63 -10.110   4.144   1.652
  494   2HB   LYS  63          2HB       LYS  63 -11.509   4.655   2.586
  495   1HG   LYS  63          2HG       LYS  63 -10.800   5.421  -0.234
  496   2HG   LYS  63          1HG       LYS  63 -12.183   4.473   0.318
  497   1HD   LYS  63          2HD       LYS  63 -13.373   6.343   0.458
  498   2HD   LYS  63          1HD       LYS  63 -12.270   6.924   1.708
  499   1HE   LYS  63          1HE       LYS  63 -12.030   8.612   0.199
  500   2HE   LYS  63          2HE       LYS  63 -10.783   7.519  -0.400
  501   1HZ   LYS  63          1HZ       LYS  63 -11.839   7.727  -2.339
  502   2HZ   LYS  63          2HZ       LYS  63 -13.249   8.341  -1.633
  503   3HZ   LYS  63          3HZ       LYS  63 -12.993   6.670  -1.696
  504    H    GLN  64           H        GLN  64 -10.227   5.043   4.679
  505    HA   GLN  64           HA       GLN  64 -12.315   6.608   5.752
  506   1HB   GLN  64          1HB       GLN  64 -11.944   5.433   7.799
  507   2HB   GLN  64          2HB       GLN  64 -11.661   4.293   6.490
  508   1HG   GLN  64          1HG       GLN  64  -9.206   4.821   6.729
  509   2HG   GLN  64          2HG       GLN  64  -9.627   5.669   8.217
  510   1HE2  GLN  64          1HE2      GLN  64  -8.372   4.226   9.423
  511   2HE2  GLN  64          2HE2      GLN  64  -8.914   2.623   9.768
  512    H    GLY  65           H        GLY  65  -8.796   6.763   6.112
  513   1HA   GLY  65          1HA       GLY  65  -9.143   9.448   7.286
  514   2HA   GLY  65          2HA       GLY  65  -8.009   8.300   7.981
  515    H    HIS  66           H        HIS  66  -7.667  11.000   6.712
  516    HA   HIS  66           HA       HIS  66  -5.602  10.200   4.771
  517   1HB   HIS  66          1HB       HIS  66  -7.046  12.830   4.568
  518   2HB   HIS  66          2HB       HIS  66  -6.118  11.982   3.334
  519    HD1  HIS  66           HD1      HIS  66  -7.480  10.807   1.644
  520    HD2  HIS  66           HD2      HIS  66  -9.548  11.316   5.212
  521    HE1  HIS  66           HE1      HIS  66  -9.791   9.913   1.215
  522    HE2  HIS  66           HE2      HIS  66 -11.026  10.231   3.388
  523    H    ASP  67           H        ASP  67  -3.967  12.035   4.450
  524    HA   ASP  67           HA       ASP  67  -3.560  14.010   6.383
  525   1HB   ASP  67          2HB       ASP  67  -1.539  12.806   7.505
  526   2HB   ASP  67          1HB       ASP  67  -3.167  12.477   8.091
  527    H    TYR  68           HN       TYR  68  -2.148  15.408   5.561
  528    HA   TYR  68           HA       TYR  68  -0.607  16.340   4.173
  529   1HB   TYR  68          2HB       TYR  68   0.618  13.820   5.123
  530   2HB   TYR  68          1HB       TYR  68   1.370  14.548   3.708
  531    HD1  TYR  68           HD1      TYR  68   1.219  14.553   7.244
  532    HD2  TYR  68           HD2      TYR  68   1.963  17.074   3.899
  533    HE1  TYR  68           HE1      TYR  68   2.435  16.117   8.702
  534    HE2  TYR  68           HE2      TYR  68   3.181  18.646   5.346
  535    HH   TYR  68           HH       TYR  68   3.175  19.228   7.849
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1   6.982  19.412  -7.724
    2   2H    TYR   1          2H        TYR   1   6.830  20.036  -9.315
    3   3H    TYR   1          3H        TYR   1   6.839  18.340  -9.056
    4    HA   TYR   1           HA       TYR   1   4.827  19.999  -7.761
    5   1HB   TYR   1          1HB       TYR   1   5.257  20.050 -10.511
    6   2HB   TYR   1          2HB       TYR   1   3.983  18.851 -10.303
    7    HD1  TYR   1           HD1      TYR   1   4.767  22.145  -8.704
    8    HD2  TYR   1           HD2      TYR   1   1.901  19.729 -10.716
    9    HE1  TYR   1           HE1      TYR   1   3.108  23.948  -8.492
   10    HE2  TYR   1           HE2      TYR   1   0.233  21.524 -10.509
   11    HH   TYR   1           HH       TYR   1   0.573  24.119  -8.451
   12    H    HIS   2           H        HIS   2   5.405  17.083  -9.713
   13    HA   HIS   2           HA       HIS   2   3.399  15.580  -8.322
   14   1HB   HIS   2          1HB       HIS   2   5.394  15.000 -10.472
   15   2HB   HIS   2          2HB       HIS   2   4.641  13.652  -9.628
   16    HD1  HIS   2           HD1      HIS   2   4.052  16.120 -12.275
   17    HD2  HIS   2           HD2      HIS   2   1.769  13.546  -9.942
   18    HE1  HIS   2           HE1      HIS   2   1.820  15.968 -13.426
   19    HE2  HIS   2           HE2      HIS   2   0.455  14.406 -11.997
   20    H    ALA   3           H        ALA   3   4.494  16.183  -6.197
   21    HA   ALA   3           HA       ALA   3   6.585  14.219  -5.530
   22   1HB   ALA   3          1HB       ALA   3   6.773  16.860  -5.184
   23   2HB   ALA   3          2HB       ALA   3   7.543  15.697  -4.105
   24   3HB   ALA   3          3HB       ALA   3   6.004  16.431  -3.656
   25    H    ASP   4           H        ASP   4   5.930  12.513  -4.417
   26    HA   ASP   4           HA       ASP   4   4.135  12.773  -2.186
   27   1HB   ASP   4          1HB       ASP   4   2.435  11.222  -2.996
   28   2HB   ASP   4          2HB       ASP   4   2.542  12.615  -4.069
   29    HA   PRO   5           HA       PRO   5   7.396   9.374  -2.100
   30   1HB   PRO   5          2HB       PRO   5   8.511  10.189   0.256
   31   2HB   PRO   5          1HB       PRO   5   9.065  10.740  -1.329
   32   1HG   PRO   5          1HG       PRO   5   7.238  12.097   0.619
   33   2HG   PRO   5          2HG       PRO   5   8.563  12.785  -0.338
   34   1HD   PRO   5          2HD       PRO   5   5.986  13.075  -1.062
   35   2HD   PRO   5          1HD       PRO   5   7.282  12.897  -2.262
   36    H    SER   6           H        SER   6   5.002  10.663   0.053
   37    HA   SER   6           HA       SER   6   5.050   8.875   2.160
   38   1HB   SER   6          1HB       SER   6   2.729  10.257   0.807
   39   2HB   SER   6          2HB       SER   6   2.545   9.304   2.280
   40    HG   SER   6           HG       SER   6   3.261  10.949   3.350
   41    H    LEU   7           H        LEU   7   4.164   8.327  -1.128
   42    HA   LEU   7           HA       LEU   7   2.499   6.076  -0.769
   43   1HB   LEU   7          1HB       LEU   7   2.463   7.210  -2.863
   44   2HB   LEU   7          2HB       LEU   7   4.190   7.009  -3.079
   45    HG   LEU   7           HG       LEU   7   2.621   5.533  -4.471
   46   1HD1  LEU   7          1HD1      LEU   7   4.274   3.970  -4.691
   47   2HD1  LEU   7          2HD1      LEU   7   4.547   3.851  -2.954
   48   3HD1  LEU   7          3HD1      LEU   7   5.155   5.244  -3.847
   49   1HD2  LEU   7          1HD2      LEU   7   2.373   4.194  -1.786
   50   2HD2  LEU   7          2HD2      LEU   7   1.990   3.411  -3.320
   51   3HD2  LEU   7          3HD2      LEU   7   1.074   4.825  -2.799
   52    H    VAL   8           H        VAL   8   5.926   6.227  -1.767
   53    HA   VAL   8           HA       VAL   8   6.405   3.478  -1.681
   54    HB   VAL   8           HB       VAL   8   8.472   5.581  -1.055
   55   1HG1  VAL   8          1HG2      VAL   8   8.595   2.785  -1.316
   56   2HG1  VAL   8          2HG2      VAL   8   9.938   3.921  -1.187
   57   3HG1  VAL   8          3HG2      VAL   8   9.325   3.456  -2.774
   58   1HG2  VAL   8          1HG1      VAL   8   7.489   6.427  -2.998
   59   2HG2  VAL   8          2HG1      VAL   8   7.217   4.819  -3.670
   60   3HG2  VAL   8          3HG1      VAL   8   8.851   5.476  -3.589
   61    H    SER   9           H        SER   9   6.873   5.943   0.829
   62    HA   SER   9           HA       SER   9   8.068   4.316   2.752
   63   1HB   SER   9          1HB       SER   9   8.211   6.548   3.300
   64   2HB   SER   9          2HB       SER   9   6.545   6.884   2.828
   65    HG   SER   9           HG       SER   9   7.133   6.810   5.181
   66    H    PHE  10           H        PHE  10   4.707   4.673   1.855
   67    HA   PHE  10           HA       PHE  10   3.789   3.205   4.185
   68   1HB   PHE  10          1HB       PHE  10   2.430   4.536   1.858
   69   2HB   PHE  10          2HB       PHE  10   1.542   3.409   2.881
   70    HD1  PHE  10           HD1      PHE  10   0.104   4.591   4.222
   71    HD2  PHE  10           HD2      PHE  10   4.061   6.047   3.652
   72    HE1  PHE  10           HE1      PHE  10  -0.332   6.394   5.838
   73    HE2  PHE  10           HE2      PHE  10   3.634   7.853   5.267
   74    HZ   PHE  10           HZ       PHE  10   1.434   8.028   6.363
   75    H    LEU  11           H        LEU  11   3.729   2.743   0.651
   76    HA   LEU  11           HA       LEU  11   2.563   0.291   0.456
   77   1HB   LEU  11          2HB       LEU  11   3.511   1.790  -1.384
   78   2HB   LEU  11          1HB       LEU  11   5.045   0.992  -1.092
   79    HG   LEU  11           HG       LEU  11   3.662   0.110  -3.026
   80   1HD1  LEU  11          1HD1      LEU  11   4.105  -2.106  -1.094
   81   2HD1  LEU  11          2HD1      LEU  11   5.479  -1.102  -1.554
   82   3HD1  LEU  11          3HD1      LEU  11   4.570  -1.972  -2.789
   83   1HD2  LEU  11          1HD2      LEU  11   1.534   0.221  -1.564
   84   2HD2  LEU  11          2HD2      LEU  11   2.073  -1.342  -0.948
   85   3HD2  LEU  11          3HD2      LEU  11   1.743  -1.139  -2.668
   86    H    THR  12           H        THR  12   6.035   0.855   0.933
   87    HA   THR  12           HA       THR  12   6.602  -1.917   1.333
   88    HB   THR  12           HB       THR  12   8.289   0.504   2.001
   89    HG1  THR  12           HG1      THR  12   8.074   0.621  -0.130
   90   1HG2  THR  12          1HG2      THR  12   9.803  -0.893   2.779
   91   2HG2  THR  12          2HG2      THR  12   9.877  -1.654   1.189
   92   3HG2  THR  12          3HG2      THR  12   8.769  -2.273   2.412
   93    H    GLY  13           H        GLY  13   6.384   0.905   3.486
   94   1HA   GLY  13          2HA       GLY  13   7.071  -0.299   5.887
   95   2HA   GLY  13          1HA       GLY  13   5.958   1.053   5.739
   96    H    LEU  14           H        LEU  14   4.185  -0.677   4.025
   97    HA   LEU  14           HA       LEU  14   2.407  -1.515   6.019
   98   1HB   LEU  14          2HB       LEU  14   2.373  -1.164   3.276
   99   2HB   LEU  14          1HB       LEU  14   2.139  -2.887   3.458
  100    HG   LEU  14           HG       LEU  14   0.129  -2.580   4.687
  101   1HD1  LEU  14          1HD2      LEU  14   0.181  -0.910   6.181
  102   2HD1  LEU  14          2HD2      LEU  14  -0.480   0.065   4.867
  103   3HD1  LEU  14          3HD2      LEU  14   1.255   0.077   5.189
  104   1HD2  LEU  14          1HD1      LEU  14  -1.234  -1.668   3.054
  105   2HD2  LEU  14          2HD1      LEU  14   0.230  -2.070   2.151
  106   3HD2  LEU  14          3HD1      LEU  14  -0.073  -0.405   2.647
  107    H    GLY  15           H        GLY  15   5.175  -3.045   4.704
  108   1HA   GLY  15          1HA       GLY  15   5.999  -4.970   5.994
  109   2HA   GLY  15          2HA       GLY  15   4.355  -5.587   5.960
  110    H    CYS  16           H        CYS  16   5.476  -4.069   3.088
  111    HA   CYS  16           HA       CYS  16   6.192  -6.665   1.914
  112   1HB   CYS  16          2HB       CYS  16   4.915  -5.722  -0.189
  113   2HB   CYS  16          1HB       CYS  16   4.048  -6.588   1.075
  114    HG   CYS  16           HG       CYS  16   3.245  -3.976   0.181
  115    HA   PRO  17           HA       PRO  17   9.150  -3.378   0.625
  116   1HB   PRO  17          2HB       PRO  17  11.388  -4.433   1.668
  117   2HB   PRO  17          1HB       PRO  17  10.261  -3.489   2.645
  118   1HG   PRO  17          2HG       PRO  17  10.678  -6.429   2.545
  119   2HG   PRO  17          1HG       PRO  17  10.218  -5.402   3.913
  120   1HD   PRO  17          2HD       PRO  17   8.488  -6.970   2.364
  121   2HD   PRO  17          1HD       PRO  17   8.015  -5.690   3.496
  122    H    ASN  18           H        ASN  18   8.374  -6.360  -0.354
  123    HA   ASN  18           HA       ASN  18  10.398  -6.321  -2.464
  124   1HB   ASN  18          2HB       ASN  18  10.246  -8.300  -0.412
  125   2HB   ASN  18          1HB       ASN  18   9.777  -9.049  -1.936
  126   1HD2  ASN  18          1HD2      ASN  18  11.311  -9.596  -3.342
  127   2HD2  ASN  18          2HD2      ASN  18  12.985  -9.193  -3.194
  128    H    CYS  19           H        CYS  19   7.374  -5.790  -1.994
  129    HA   CYS  19           HA       CYS  19   6.409  -7.470  -4.210
  130   1HB   CYS  19          1HB       CYS  19   4.595  -6.060  -2.271
  131   2HB   CYS  19          2HB       CYS  19   4.247  -7.449  -3.294
  132    HG   CYS  19           HG       CYS  19   4.531  -8.234  -0.819
  133    H    ILE  20           H        ILE  20   6.972  -4.257  -3.094
  134    HA   ILE  20           HA       ILE  20   5.218  -2.725  -4.554
  135    HB   ILE  20           HB       ILE  20   6.816  -1.746  -2.992
  136   1HG1  ILE  20          2HG1      ILE  20   7.620  -0.436  -5.534
  137   2HG1  ILE  20          1HG1      ILE  20   5.890  -0.595  -5.247
  138   1HG2  ILE  20          1HG2      ILE  20   8.694  -3.287  -3.838
  139   2HG2  ILE  20          2HG2      ILE  20   9.116  -1.653  -3.326
  140   3HG2  ILE  20          3HG2      ILE  20   8.979  -2.032  -5.044
  141   1HD1  ILE  20          1HD1      ILE  20   6.197   0.541  -3.071
  142   2HD1  ILE  20          2HD1      ILE  20   6.619   1.539  -4.462
  143   3HD1  ILE  20          3HD1      ILE  20   7.891   0.799  -3.490
  144    H    GLU  21           H        GLU  21   8.124  -4.382  -5.655
  145    HA   GLU  21           HA       GLU  21   8.365  -3.222  -8.187
  146   1HB   GLU  21          1HB       GLU  21   9.555  -5.288  -8.822
  147   2HB   GLU  21          2HB       GLU  21  10.098  -4.657  -7.274
  148   1HG   GLU  21          1HG       GLU  21   8.443  -6.312  -6.238
  149   2HG   GLU  21          2HG       GLU  21   8.412  -7.067  -7.832
  150    H    TYR  22           H        TYR  22   6.461  -5.994  -7.086
  151    HA   TYR  22           HA       TYR  22   5.390  -6.605  -9.656
  152   1HB   TYR  22          1HB       TYR  22   4.345  -7.320  -6.906
  153   2HB   TYR  22          2HB       TYR  22   3.817  -8.043  -8.422
  154    HD1  TYR  22           HD1      TYR  22   6.713  -7.678  -6.147
  155    HD2  TYR  22           HD2      TYR  22   5.017  -9.823  -9.406
  156    HE1  TYR  22           HE1      TYR  22   8.491  -9.363  -5.956
  157    HE2  TYR  22           HE2      TYR  22   6.791 -11.516  -9.223
  158    HH   TYR  22           HH       TYR  22   8.981 -11.601  -6.549
  159    H    PHE  23           H        PHE  23   4.457  -4.518  -7.016
  160    HA   PHE  23           HA       PHE  23   1.818  -3.984  -7.989
  161   1HB   PHE  23          1HB       PHE  23   3.584  -2.837  -5.861
  162   2HB   PHE  23          2HB       PHE  23   2.175  -1.921  -6.382
  163    HD1  PHE  23           HD1      PHE  23   3.353  -4.392  -4.178
  164    HD2  PHE  23           HD2      PHE  23  -0.076  -3.239  -6.419
  165    HE1  PHE  23           HE1      PHE  23   1.931  -5.733  -2.683
  166    HE2  PHE  23           HE2      PHE  23  -1.505  -4.576  -4.929
  167    HZ   PHE  23           HZ       PHE  23  -0.502  -5.826  -3.058
  168    H    THR  24           H        THR  24   4.842  -2.102  -7.930
  169    HA   THR  24           HA       THR  24   4.028   0.136  -9.305
  170    HB   THR  24           HB       THR  24   6.413   0.309 -10.077
  171    HG1  THR  24           HG1      THR  24   6.730  -2.136  -8.683
  172   1HG2  THR  24          1HG2      THR  24   6.075   1.273  -7.986
  173   2HG2  THR  24          2HG2      THR  24   7.438   0.177  -7.756
  174   3HG2  THR  24          3HG2      THR  24   5.828  -0.289  -7.206
  175    H    SER  25           H        SER  25   4.667  -3.054 -10.547
  176    HA   SER  25           HA       SER  25   5.123  -2.595 -13.218
  177   1HB   SER  25          1HB       SER  25   3.961  -4.801 -11.640
  178   2HB   SER  25          2HB       SER  25   3.519  -4.793 -13.346
  179    HG   SER  25           HG       SER  25   5.943  -5.304 -12.153
  180    H    GLN  26           H        GLN  26   2.164  -2.185 -11.437
  181    HA   GLN  26           HA       GLN  26   0.657  -1.777 -13.918
  182   1HB   GLN  26          2HB       GLN  26  -0.637  -1.556 -11.241
  183   2HB   GLN  26          1HB       GLN  26  -1.281  -2.192 -12.747
  184   1HG   GLN  26          2HG       GLN  26   0.846  -3.615 -11.181
  185   2HG   GLN  26          1HG       GLN  26  -0.875  -3.848 -10.881
  186   1HE2  GLN  26          2HE2      GLN  26   0.784  -5.922 -11.628
  187   2HE2  GLN  26          1HE2      GLN  26   0.344  -6.458 -13.209
  188    H    GLY  27           H        GLY  27   1.537  -0.128 -10.914
  189   1HA   GLY  27          1HA       GLY  27   2.107   2.333 -11.628
  190   2HA   GLY  27          2HA       GLY  27   0.374   2.365 -11.921
  191    H    LEU  28           H        LEU  28   2.227   0.822  -9.329
  192    HA   LEU  28           HA       LEU  28   0.537   2.211  -7.388
  193   1HB   LEU  28          1HB       LEU  28   1.686  -0.418  -7.567
  194   2HB   LEU  28          2HB       LEU  28   2.211   0.352  -6.083
  195    HG   LEU  28           HG       LEU  28   0.104  -1.060  -5.955
  196   1HD1  LEU  28          1HD2      LEU  28  -1.094   1.084  -4.801
  197   2HD1  LEU  28          2HD2      LEU  28   0.579   1.633  -4.897
  198   3HD1  LEU  28          3HD2      LEU  28   0.191   0.132  -4.057
  199   1HD2  LEU  28          1HD1      LEU  28  -1.939  -0.196  -6.767
  200   2HD2  LEU  28          2HD1      LEU  28  -0.807  -0.126  -8.118
  201   3HD2  LEU  28          3HD1      LEU  28  -1.197   1.339  -7.217
  202    H    GLN  29           H        GLN  29   2.514   3.740  -8.631
  203    HA   GLN  29           HA       GLN  29   4.613   4.033  -6.603
  204   1HB   GLN  29          1HB       GLN  29   5.689   5.548  -8.212
  205   2HB   GLN  29          2HB       GLN  29   5.379   3.970  -8.923
  206   1HG   GLN  29          2HG       GLN  29   3.550   4.799 -10.180
  207   2HG   GLN  29          1HG       GLN  29   3.553   6.326  -9.300
  208   1HE2  GLN  29          2HE2      GLN  29   6.046   4.388 -10.923
  209   2HE2  GLN  29          1HE2      GLN  29   6.643   5.674 -11.912
  210    H    SER  30           H        SER  30   1.766   5.512  -7.906
  211    HA   SER  30           HA       SER  30   2.094   7.790  -6.070
  212   1HB   SER  30          2HB       SER  30   0.048   8.559  -7.686
  213   2HB   SER  30          1HB       SER  30   1.739   8.958  -7.990
  214    HG   SER  30           HG       SER  30   1.867   7.316  -9.451
  215    H    ILE  31           H        ILE  31   1.080   7.301  -4.226
  216    HA   ILE  31           HA       ILE  31  -0.809   5.406  -3.755
  217    HB   ILE  31           HB       ILE  31   0.382   6.842  -2.046
  218   1HG1  ILE  31          1HG1      ILE  31  -2.221   6.845  -0.878
  219   2HG1  ILE  31          2HG1      ILE  31  -2.109   5.461  -1.962
  220   1HG2  ILE  31          1HG2      ILE  31  -0.927   8.917  -3.199
  221   2HG2  ILE  31          2HG2      ILE  31  -0.235   8.945  -1.576
  222   3HG2  ILE  31          3HG2      ILE  31  -1.950   8.596  -1.799
  223   1HD1  ILE  31          1HD1      ILE  31  -0.236   6.106   0.298
  224   2HD1  ILE  31          2HD1      ILE  31  -0.067   4.747  -0.811
  225   3HD1  ILE  31          3HD1      ILE  31  -1.457   4.835   0.270
  226    H    TYR  32           H        TYR  32  -1.312   8.506  -5.229
  227    HA   TYR  32           HA       TYR  32  -4.068   8.800  -4.897
  228   1HB   TYR  32          1HB       TYR  32  -2.029  10.088  -6.344
  229   2HB   TYR  32          2HB       TYR  32  -3.236   9.625  -7.538
  230    HD1  TYR  32           HD1      TYR  32  -2.344  12.435  -6.367
  231    HD2  TYR  32           HD2      TYR  32  -5.668   9.858  -5.730
  232    HE1  TYR  32           HE1      TYR  32  -3.714  14.372  -5.722
  233    HE2  TYR  32           HE2      TYR  32  -7.048  11.788  -5.083
  234    HH   TYR  32           HH       TYR  32  -6.754  14.056  -4.226
  235    H    HIS  33           H        HIS  33  -2.256   6.534  -6.754
  236    HA   HIS  33           HA       HIS  33  -4.439   5.888  -8.544
  237   1HB   HIS  33          2HB       HIS  33  -1.668   5.539  -8.606
  238   2HB   HIS  33          1HB       HIS  33  -2.315   3.911  -8.428
  239    HD1  HIS  33           HD1      HIS  33  -2.258   6.818 -10.792
  240    HD2  HIS  33           HD2      HIS  33  -3.658   2.908 -10.651
  241    HE1  HIS  33           HE1      HIS  33  -2.937   6.261 -13.149
  242    HE2  HIS  33           HE2      HIS  33  -3.781   3.889 -13.041
  243    H    LEU  34           H        LEU  34  -3.305   4.883  -5.447
  244    HA   LEU  34           HA       LEU  34  -4.989   2.476  -5.562
  245   1HB   LEU  34          2HB       LEU  34  -3.719   2.113  -3.268
  246   2HB   LEU  34          1HB       LEU  34  -3.028   1.649  -4.807
  247    HG   LEU  34           HG       LEU  34  -2.428   4.340  -3.621
  248   1HD1  LEU  34          1HD1      LEU  34  -1.713   3.087  -1.833
  249   2HD1  LEU  34          2HD1      LEU  34  -0.274   3.087  -2.851
  250   3HD1  LEU  34          3HD1      LEU  34  -1.337   1.680  -2.829
  251   1HD2  LEU  34          1HD2      LEU  34  -1.497   2.697  -5.859
  252   2HD2  LEU  34          2HD2      LEU  34  -0.206   3.411  -4.894
  253   3HD2  LEU  34          3HD2      LEU  34  -1.431   4.442  -5.628
  254    H    GLN  35           H        GLN  35  -5.699   5.399  -5.039
  255    HA   GLN  35           HA       GLN  35  -6.533   5.586  -2.337
  256   1HB   GLN  35          1HB       GLN  35  -6.182   7.542  -3.820
  257   2HB   GLN  35          2HB       GLN  35  -7.593   7.064  -4.754
  258   1HG   GLN  35          1HG       GLN  35  -8.857   8.261  -3.400
  259   2HG   GLN  35          2HG       GLN  35  -8.421   7.185  -2.073
  260   1HE2  GLN  35          2HE2      GLN  35  -6.536   7.728  -0.817
  261   2HE2  GLN  35          1HE2      GLN  35  -6.076   9.385  -0.637
  262    H    ASN  36           H        ASN  36  -7.841   3.963  -5.070
  263    HA   ASN  36           HA       ASN  36 -10.327   3.479  -3.568
  264   1HB   ASN  36          1HB       ASN  36  -9.900   4.241  -6.400
  265   2HB   ASN  36          2HB       ASN  36 -11.134   3.020  -6.099
  266   1HD2  ASN  36          2HD2      ASN  36 -10.307   6.313  -5.952
  267   2HD2  ASN  36          1HD2      ASN  36 -11.784   6.895  -5.277
  268    H    LEU  37           H        LEU  37  -7.559   2.059  -4.855
  269    HA   LEU  37           HA       LEU  37  -8.517  -0.386  -5.828
  270   1HB   LEU  37          2HB       LEU  37  -6.000   0.790  -5.268
  271   2HB   LEU  37          1HB       LEU  37  -6.025  -0.770  -4.471
  272    HG   LEU  37           HG       LEU  37  -6.994  -0.830  -7.241
  273   1HD1  LEU  37          1HD2      LEU  37  -4.072  -0.301  -6.748
  274   2HD1  LEU  37          2HD2      LEU  37  -5.207   0.907  -7.351
  275   3HD1  LEU  37          3HD2      LEU  37  -4.874  -0.544  -8.299
  276   1HD2  LEU  37          1HD1      LEU  37  -6.572  -2.812  -5.817
  277   2HD2  LEU  37          2HD1      LEU  37  -4.857  -2.402  -5.815
  278   3HD2  LEU  37          3HD1      LEU  37  -5.661  -2.827  -7.326
  279    H    THR  38           H        THR  38  -8.545  -2.477  -4.841
  280    HA   THR  38           HA       THR  38  -8.684  -2.517  -1.913
  281    HB   THR  38           HB       THR  38 -10.765  -4.173  -3.087
  282    HG1  THR  38           HG1      THR  38 -10.885  -1.376  -3.561
  283   1HG2  THR  38          1HG2      THR  38 -10.500  -2.205  -0.905
  284   2HG2  THR  38          2HG2      THR  38 -11.226  -3.811  -0.915
  285   3HG2  THR  38          3HG2      THR  38 -12.111  -2.439  -1.583
  286    H    ILE  39           H        ILE  39  -9.223  -4.919  -1.245
  287    HA   ILE  39           HA       ILE  39  -7.064  -6.546  -2.044
  288    HB   ILE  39           HB       ILE  39  -8.196  -6.811   0.118
  289   1HG1  ILE  39          1HG1      ILE  39  -8.268  -9.268   0.145
  290   2HG1  ILE  39          2HG1      ILE  39  -8.372  -9.288  -1.612
  291   1HG2  ILE  39          1HG2      ILE  39 -10.485  -7.891  -1.511
  292   2HG2  ILE  39          2HG2      ILE  39 -10.475  -6.392  -0.584
  293   3HG2  ILE  39          3HG2      ILE  39 -10.364  -7.944   0.247
  294   1HD1  ILE  39          1HD1      ILE  39  -6.152  -8.239  -1.726
  295   2HD1  ILE  39          2HD1      ILE  39  -6.136  -9.806  -0.918
  296   3HD1  ILE  39          3HD1      ILE  39  -6.049  -8.322   0.033
  297    H    GLU  40           H        GLU  40 -10.379  -6.236  -3.062
  298    HA   GLU  40           HA       GLU  40 -10.641  -8.543  -4.592
  299   1HB   GLU  40          2HB       GLU  40 -12.298  -7.135  -5.949
  300   2HB   GLU  40          1HB       GLU  40 -12.623  -7.351  -4.235
  301   1HG   GLU  40          2HG       GLU  40 -12.438  -5.173  -3.801
  302   2HG   GLU  40          1HG       GLU  40 -11.028  -4.984  -4.840
  303    H    ASP  41           H        ASP  41  -9.238  -5.413  -5.381
  304    HA   ASP  41           HA       ASP  41  -8.634  -6.233  -8.103
  305   1HB   ASP  41          2HB       ASP  41  -8.640  -3.713  -6.593
  306   2HB   ASP  41          1HB       ASP  41  -7.282  -3.874  -7.702
  307    H    LEU  42           H        LEU  42  -7.030  -5.789  -5.021
  308    HA   LEU  42           HA       LEU  42  -4.376  -5.792  -5.698
  309   1HB   LEU  42          1HB       LEU  42  -5.797  -7.132  -3.404
  310   2HB   LEU  42          2HB       LEU  42  -4.053  -7.114  -3.534
  311    HG   LEU  42           HG       LEU  42  -5.784  -5.142  -2.400
  312   1HD1  LEU  42          1HD2      LEU  42  -3.860  -5.755  -1.260
  313   2HD1  LEU  42          2HD2      LEU  42  -3.512  -4.129  -1.847
  314   3HD1  LEU  42          3HD2      LEU  42  -2.830  -5.531  -2.674
  315   1HD2  LEU  42          1HD1      LEU  42  -3.964  -3.919  -4.454
  316   2HD2  LEU  42          2HD1      LEU  42  -5.164  -3.125  -3.433
  317   3HD2  LEU  42          3HD1      LEU  42  -5.684  -4.179  -4.747
  318    H    GLY  43           H        GLY  43  -6.282  -8.725  -4.968
  319   1HA   GLY  43          1HA       GLY  43  -4.336 -10.584  -5.724
  320   2HA   GLY  43          2HA       GLY  43  -6.067 -10.885  -5.709
  321    H    ALA  44           H        ALA  44  -6.263  -8.520  -7.679
  322    HA   ALA  44           HA       ALA  44  -6.363 -10.091 -10.034
  323   1HB   ALA  44          1HB       ALA  44  -7.734  -8.013  -9.460
  324   2HB   ALA  44          2HB       ALA  44  -7.165  -8.181 -11.121
  325   3HB   ALA  44          3HB       ALA  44  -6.335  -7.091 -10.011
  326    H    LEU  45           H        LEU  45  -3.966  -7.968  -8.645
  327    HA   LEU  45           HA       LEU  45  -2.370  -7.551 -10.913
  328   1HB   LEU  45          2HB       LEU  45  -1.779  -7.571  -7.964
  329   2HB   LEU  45          1HB       LEU  45  -0.543  -7.209  -9.153
  330    HG   LEU  45           HG       LEU  45  -1.793  -5.273  -9.915
  331   1HD1  LEU  45          1HD2      LEU  45  -3.821  -4.557  -8.650
  332   2HD1  LEU  45          2HD2      LEU  45  -3.853  -6.158  -7.912
  333   3HD1  LEU  45          3HD2      LEU  45  -4.048  -5.987  -9.656
  334   1HD2  LEU  45          1HD1      LEU  45  -1.578  -5.334  -6.912
  335   2HD2  LEU  45          2HD1      LEU  45  -1.610  -3.890  -7.923
  336   3HD2  LEU  45          3HD1      LEU  45  -0.253  -5.012  -8.028
  337    H    LYS  46           H        LYS  46  -2.877 -10.372  -9.038
  338    HA   LYS  46           HA       LYS  46  -2.109 -12.501  -9.313
  339   1HB   LYS  46          2HB       LYS  46  -0.062 -11.691 -11.329
  340   2HB   LYS  46          1HB       LYS  46  -1.046 -13.146 -11.260
  341   1HG   LYS  46          1HG       LYS  46  -2.872 -11.089 -11.586
  342   2HG   LYS  46          2HG       LYS  46  -1.523 -10.659 -12.637
  343   1HD   LYS  46          2HD       LYS  46  -3.005 -13.288 -12.627
  344   2HD   LYS  46          1HD       LYS  46  -3.157 -12.014 -13.838
  345   1HE   LYS  46          1HE       LYS  46  -0.557 -12.331 -14.029
  346   2HE   LYS  46          2HE       LYS  46  -0.917 -13.918 -13.351
  347   1HZ   LYS  46          1HZ       LYS  46  -2.077 -12.775 -15.835
  348   2HZ   LYS  46          2HZ       LYS  46  -2.489 -14.275 -15.172
  349   3HZ   LYS  46          3HZ       LYS  46  -0.921 -14.007 -15.747
  350    H    ILE  47           H        ILE  47  -0.755 -10.246  -7.763
  351    HA   ILE  47           HA       ILE  47   1.978 -11.136  -7.511
  352    HB   ILE  47           HB       ILE  47   0.553  -9.331  -5.573
  353   1HG1  ILE  47          1HG1      ILE  47   1.781  -8.587  -8.238
  354   2HG1  ILE  47          2HG1      ILE  47   0.078  -8.477  -7.807
  355   1HG2  ILE  47          1HG2      ILE  47   3.421  -9.502  -6.486
  356   2HG2  ILE  47          2HG2      ILE  47   2.781 -10.071  -4.945
  357   3HG2  ILE  47          3HG2      ILE  47   2.781  -8.348  -5.316
  358   1HD1  ILE  47          1HD1      ILE  47   2.275  -6.923  -6.469
  359   2HD1  ILE  47          2HD1      ILE  47   0.539  -6.744  -6.215
  360   3HD1  ILE  47          3HD1      ILE  47   1.253  -6.309  -7.769
  361    HA   PRO  48           HA       PRO  48   1.598 -14.571  -4.746
  362   1HB   PRO  48          2HB       PRO  48   3.600 -12.949  -3.207
  363   2HB   PRO  48          1HB       PRO  48   3.590 -14.684  -3.544
  364   1HG   PRO  48          2HG       PRO  48   5.111 -13.014  -4.973
  365   2HG   PRO  48          1HG       PRO  48   4.303 -14.398  -5.729
  366   1HD   PRO  48          2HD       PRO  48   3.712 -11.516  -5.970
  367   2HD   PRO  48          1HD       PRO  48   3.314 -12.846  -7.073
  368    H    GLU  49           H        GLU  49  -0.260 -14.635  -3.627
  369    HA   GLU  49           HA       GLU  49  -1.227 -12.518  -2.013
  370   1HB   GLU  49          1HB       GLU  49  -2.670 -14.207  -3.133
  371   2HB   GLU  49          2HB       GLU  49  -2.078 -15.420  -2.006
  372   1HG   GLU  49          1HG       GLU  49  -3.353 -14.667  -0.309
  373   2HG   GLU  49          2HG       GLU  49  -3.207 -12.980  -0.802
  374    H    GLN  50           H        GLN  50   1.018 -12.483  -0.879
  375    HA   GLN  50           HA       GLN  50   1.259 -14.371   1.309
  376   1HB   GLN  50          1HB       GLN  50   2.899 -11.873   0.919
  377   2HB   GLN  50          2HB       GLN  50   3.336 -13.333   1.795
  378   1HG   GLN  50          2HG       GLN  50   3.764 -14.525  -0.145
  379   2HG   GLN  50          1HG       GLN  50   2.812 -13.429  -1.145
  380   1HE2  GLN  50          2HE2      GLN  50   5.642 -14.418  -1.228
  381   2HE2  GLN  50          1HE2      GLN  50   6.592 -12.986  -1.375
  382    H    TYR  51           H        TYR  51   0.756 -10.873   0.929
  383    HA   TYR  51           HA       TYR  51  -0.758 -10.872   3.433
  384   1HB   TYR  51          1HB       TYR  51   0.892  -8.464   3.101
  385   2HB   TYR  51          2HB       TYR  51   0.553  -9.405   4.548
  386    HD1  TYR  51           HD1      TYR  51   1.771 -11.803   4.544
  387    HD2  TYR  51           HD2      TYR  51   3.079  -8.369   2.400
  388    HE1  TYR  51           HE1      TYR  51   4.053 -12.717   4.485
  389    HE2  TYR  51           HE2      TYR  51   5.365  -9.274   2.335
  390    HH   TYR  51           HH       TYR  51   6.311 -11.898   2.493
  391    H    ARG  52           H        ARG  52  -1.433 -10.730   0.579
  392    HA   ARG  52           HA       ARG  52  -1.984  -8.270  -0.448
  393   1HB   ARG  52          2HB       ARG  52  -2.686 -10.853  -1.057
  394   2HB   ARG  52          1HB       ARG  52  -4.242 -10.123  -0.696
  395   1HG   ARG  52          1HG       ARG  52  -4.251  -9.404  -2.797
  396   2HG   ARG  52          2HG       ARG  52  -3.003  -8.256  -2.309
  397   1HD   ARG  52          1HD       ARG  52  -1.954 -10.913  -2.874
  398   2HD   ARG  52          2HD       ARG  52  -2.757 -10.179  -4.262
  399    HE   ARG  52           HE       ARG  52  -1.065  -8.629  -4.391
  400   1HH1  ARG  52          1HH1      ARG  52  -0.836 -10.360  -1.378
  401   2HH1  ARG  52          2HH1      ARG  52   0.720  -9.716  -0.978
  402   1HH2  ARG  52          1HH2      ARG  52   0.983  -7.774  -3.873
  403   2HH2  ARG  52          2HH2      ARG  52   1.755  -8.245  -2.395
  404    H    MET  53           H        MET  53  -3.576  -9.850   2.228
  405    HA   MET  53           HA       MET  53  -5.850  -8.141   2.331
  406   1HB   MET  53          1HB       MET  53  -4.545  -9.996   4.313
  407   2HB   MET  53          2HB       MET  53  -5.917  -8.994   4.765
  408   1HG   MET  53          1HG       MET  53  -7.383 -10.258   3.634
  409   2HG   MET  53          2HG       MET  53  -6.268 -10.547   2.300
  410   1HE   MET  53          1HE       MET  53  -8.030 -13.492   4.141
  411   2HE   MET  53          2HE       MET  53  -8.334 -11.797   4.522
  412   3HE   MET  53          3HE       MET  53  -7.566 -12.846   5.715
  413    H    THR  54           H        THR  54  -2.787  -8.211   4.149
  414    HA   THR  54           HA       THR  54  -3.220  -5.995   5.771
  415    HB   THR  54           HB       THR  54  -0.667  -7.077   4.569
  416    HG1  THR  54           HG1      THR  54  -1.155  -8.517   6.026
  417   1HG2  THR  54          1HG2      THR  54  -0.874  -5.137   6.856
  418   2HG2  THR  54          2HG2      THR  54  -0.339  -4.722   5.227
  419   3HG2  THR  54          3HG2      THR  54   0.594  -5.860   6.199
  420    H    ILE  55           H        ILE  55  -2.037  -6.194   2.455
  421    HA   ILE  55           HA       ILE  55  -1.318  -3.503   2.138
  422    HB   ILE  55           HB       ILE  55  -2.430  -5.196  -0.076
  423   1HG1  ILE  55          1HG1      ILE  55  -0.884  -6.668   0.946
  424   2HG1  ILE  55          2HG1      ILE  55  -0.003  -5.922  -0.383
  425   1HG2  ILE  55          1HG2      ILE  55  -0.056  -3.540  -0.506
  426   2HG2  ILE  55          2HG2      ILE  55  -1.509  -2.637  -0.078
  427   3HG2  ILE  55          3HG2      ILE  55  -1.518  -3.707  -1.480
  428   1HD1  ILE  55          1HD1      ILE  55   1.482  -5.942   1.420
  429   2HD1  ILE  55          2HD1      ILE  55   0.251  -5.384   2.553
  430   3HD1  ILE  55          3HD1      ILE  55   0.892  -4.283   1.333
  431    H    TRP  56           H        TRP  56  -4.325  -5.164   1.149
  432    HA   TRP  56           HA       TRP  56  -5.735  -2.960   0.251
  433   1HB   TRP  56          1HB       TRP  56  -6.700  -5.060  -0.164
  434   2HB   TRP  56          2HB       TRP  56  -6.562  -5.560   1.517
  435    HD1  TRP  56           HD1      TRP  56  -8.299  -2.336   0.266
  436    HE1  TRP  56           HE1      TRP  56 -10.768  -2.437   1.011
  437    HE3  TRP  56           HE3      TRP  56  -8.345  -7.018   2.293
  438    HZ2  TRP  56           HZ2      TRP  56 -12.488  -4.243   2.279
  439    HZ3  TRP  56           HZ3      TRP  56 -10.452  -7.867   3.257
  440    HH2  TRP  56           HH2      TRP  56 -12.482  -6.505   3.250
  441    H    ARG  57           H        ARG  57  -5.493  -4.264   3.540
  442    HA   ARG  57           HA       ARG  57  -7.242  -2.597   4.868
  443   1HB   ARG  57          1HB       ARG  57  -4.558  -3.545   5.889
  444   2HB   ARG  57          2HB       ARG  57  -5.910  -3.007   6.877
  445   1HG   ARG  57          1HG       ARG  57  -6.708  -5.127   5.091
  446   2HG   ARG  57          2HG       ARG  57  -5.335  -5.608   6.091
  447   1HD   ARG  57          1HD       ARG  57  -7.606  -4.202   7.398
  448   2HD   ARG  57          2HD       ARG  57  -7.829  -5.887   6.927
  449    HE   ARG  57           HE       ARG  57  -5.443  -5.832   8.276
  450   1HH1  ARG  57          1HH1      ARG  57  -8.735  -4.944   8.989
  451   2HH1  ARG  57          2HH1      ARG  57  -8.596  -5.281  10.682
  452   1HH2  ARG  57          2HH2      ARG  57  -5.249  -6.279  10.503
  453   2HH2  ARG  57          1HH2      ARG  57  -6.614  -6.040  11.543
  454    H    GLY  58           H        GLY  58  -3.771  -2.057   4.336
  455   1HA   GLY  58          2HA       GLY  58  -3.533   0.454   5.479
  456   2HA   GLY  58          1HA       GLY  58  -2.563  -0.115   4.126
  457    H    LEU  59           H        LEU  59  -4.585  -0.396   2.206
  458    HA   LEU  59           HA       LEU  59  -4.798   2.260   1.257
  459   1HB   LEU  59          1HB       LEU  59  -5.496  -0.411   0.333
  460   2HB   LEU  59          2HB       LEU  59  -6.694   0.780  -0.134
  461    HG   LEU  59           HG       LEU  59  -4.890   2.134  -1.177
  462   1HD1  LEU  59          1HD2      LEU  59  -2.799   1.727  -0.546
  463   2HD1  LEU  59          2HD2      LEU  59  -2.863   0.278  -1.549
  464   3HD1  LEU  59          3HD2      LEU  59  -3.243   0.177   0.170
  465   1HD2  LEU  59          1HD1      LEU  59  -4.348   0.254  -2.951
  466   2HD2  LEU  59          2HD1      LEU  59  -5.967   0.940  -2.796
  467   3HD2  LEU  59          3HD1      LEU  59  -5.593  -0.616  -2.054
  468    H    GLN  60           H        GLN  60  -6.852   0.231   3.182
  469    HA   GLN  60           HA       GLN  60  -9.234   1.790   2.840
  470   1HB   GLN  60          2HB       GLN  60  -8.427  -0.338   4.822
  471   2HB   GLN  60          1HB       GLN  60  -9.982   0.477   4.893
  472   1HG   GLN  60          1HG       GLN  60 -10.437  -0.302   2.583
  473   2HG   GLN  60          2HG       GLN  60  -8.935  -1.223   2.644
  474   1HE2  GLN  60          1HE2      GLN  60  -8.830  -3.084   3.845
  475   2HE2  GLN  60          2HE2      GLN  60 -10.222  -3.837   4.540
  476    H    ASP  61           H        ASP  61  -6.464   1.852   4.933
  477    HA   ASP  61           HA       ASP  61  -7.546   3.470   6.992
  478   1HB   ASP  61          2HB       ASP  61  -5.299   2.079   6.845
  479   2HB   ASP  61          1HB       ASP  61  -4.646   3.611   6.273
  480    H    LEU  62           H        LEU  62  -6.215   4.133   3.847
  481    HA   LEU  62           HA       LEU  62  -5.727   6.906   4.211
  482   1HB   LEU  62          1HB       LEU  62  -6.251   5.271   1.729
  483   2HB   LEU  62          2HB       LEU  62  -5.805   6.966   1.699
  484    HG   LEU  62           HG       LEU  62  -4.037   5.015   3.118
  485   1HD1  LEU  62          1HD2      LEU  62  -4.717   4.311   0.676
  486   2HD1  LEU  62          2HD2      LEU  62  -3.042   4.211   1.221
  487   3HD1  LEU  62          3HD2      LEU  62  -3.568   5.574   0.233
  488   1HD2  LEU  62          1HD1      LEU  62  -2.459   6.772   1.814
  489   2HD2  LEU  62          2HD1      LEU  62  -3.085   7.027   3.444
  490   3HD2  LEU  62          3HD1      LEU  62  -3.901   7.757   2.062
  491    H    LYS  63           H        LYS  63  -8.430   5.102   2.784
  492    HA   LYS  63           HA       LYS  63 -10.030   7.290   2.109
  493   1HB   LYS  63          1HB       LYS  63 -10.233   4.594   1.803
  494   2HB   LYS  63          2HB       LYS  63 -11.445   4.873   3.045
  495   1HG   LYS  63          1HG       LYS  63 -12.742   6.208   1.660
  496   2HG   LYS  63          2HG       LYS  63 -11.405   6.527   0.553
  497   1HD   LYS  63          2HD       LYS  63 -12.550   3.775   0.936
  498   2HD   LYS  63          1HD       LYS  63 -13.208   4.912  -0.242
  499   1HE   LYS  63          1HE       LYS  63 -11.667   4.216  -1.681
  500   2HE   LYS  63          2HE       LYS  63 -10.442   4.939  -0.640
  501   1HZ   LYS  63          1HZ       LYS  63 -11.467   2.166  -0.363
  502   2HZ   LYS  63          2HZ       LYS  63 -10.210   2.867   0.526
  503   3HZ   LYS  63          3HZ       LYS  63 -10.020   2.584  -1.131
  504    H    GLN  64           H        GLN  64 -10.597   5.100   4.865
  505    HA   GLN  64           HA       GLN  64 -11.655   5.433   6.858
  506   1HB   GLN  64          2HB       GLN  64  -9.648   7.538   6.542
  507   2HB   GLN  64          1HB       GLN  64 -10.900   7.912   7.718
  508   1HG   GLN  64          2HG       GLN  64 -10.337   6.150   9.079
  509   2HG   GLN  64          1HG       GLN  64  -9.575   5.255   7.768
  510   1HE2  GLN  64          2HE2      GLN  64  -8.243   5.402  10.077
  511   2HE2  GLN  64          1HE2      GLN  64  -6.895   6.475   9.956
  512    H    GLY  65           H        GLY  65 -13.032   6.289   4.494
  513   1HA   GLY  65          1HA       GLY  65 -15.311   6.984   4.415
  514   2HA   GLY  65          2HA       GLY  65 -14.998   8.047   5.777
  515    H    HIS  66           H        HIS  66 -13.879   7.580   2.424
  516    HA   HIS  66           HA       HIS  66 -13.692  10.496   2.159
  517   1HB   HIS  66          1HB       HIS  66 -11.674   9.167   1.595
  518   2HB   HIS  66          2HB       HIS  66 -12.595   8.339   0.341
  519    HD1  HIS  66           HD1      HIS  66 -13.195   9.711  -1.791
  520    HD2  HIS  66           HD2      HIS  66 -10.788  11.721   0.936
  521    HE1  HIS  66           HE1      HIS  66 -12.299  11.708  -3.030
  522    HE2  HIS  66           HE2      HIS  66 -10.844  12.910  -1.360
  523    H    ASP  67           H        ASP  67 -14.643  11.579   0.411
  524    HA   ASP  67           HA       ASP  67 -16.056  10.460  -1.690
  525   1HB   ASP  67          2HB       ASP  67 -18.426  10.923  -0.792
  526   2HB   ASP  67          1HB       ASP  67 -17.630   9.441  -0.272
  527    H    TYR  68           HN       TYR  68 -16.514  12.030  -3.107
  528    HA   TYR  68           HA       TYR  68 -16.811  14.097  -4.015
  529   1HB   TYR  68          2HB       TYR  68 -18.048  14.336  -1.354
  530   2HB   TYR  68          1HB       TYR  68 -17.550  15.862  -2.077
  531    HD1  TYR  68           HD1      TYR  68 -18.991  12.767  -3.589
  532    HD2  TYR  68           HD2      TYR  68 -19.446  16.932  -2.853
  533    HE1  TYR  68           HE1      TYR  68 -21.033  12.780  -4.960
  534    HE2  TYR  68           HE2      TYR  68 -21.489  16.957  -4.220
  535    HH   TYR  68           HH       TYR  68 -22.357  15.348  -6.260
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1  14.149  17.215  -5.908
    2   2H    TYR   1          2H        TYR   1  14.532  15.547  -5.795
    3   3H    TYR   1          3H        TYR   1  15.219  16.662  -4.686
    4    HA   TYR   1           HA       TYR   1  13.582  15.698  -3.476
    5   1HB   TYR   1          1HB       TYR   1  12.456  18.171  -4.811
    6   2HB   TYR   1          2HB       TYR   1  11.814  17.465  -3.332
    7    HD1  TYR   1           HD1      TYR   1  14.044  16.861  -1.687
    8    HD2  TYR   1           HD2      TYR   1  13.560  20.140  -4.354
    9    HE1  TYR   1           HE1      TYR   1  15.648  18.170  -0.360
   10    HE2  TYR   1           HE2      TYR   1  15.162  21.458  -3.035
   11    HH   TYR   1           HH       TYR   1  15.950  21.019  -0.123
   12    H    HIS   2           H        HIS   2  13.021  13.711  -4.484
   13    HA   HIS   2           HA       HIS   2  11.311  13.337  -6.623
   14   1HB   HIS   2          2HB       HIS   2  10.834  11.114  -5.648
   15   2HB   HIS   2          1HB       HIS   2  12.552  11.499  -5.608
   16    HD1  HIS   2           HD1      HIS   2   9.562  11.640  -3.260
   17    HD2  HIS   2           HD2      HIS   2  13.686  11.134  -3.176
   18    HE1  HIS   2           HE1      HIS   2  10.129  11.137  -0.862
   19    HE2  HIS   2           HE2      HIS   2  12.629  10.834  -0.834
   20    H    ALA   3           H        ALA   3   9.069  12.802  -6.747
   21    HA   ALA   3           HA       ALA   3   7.463  14.251  -4.763
   22   1HB   ALA   3          1HB       ALA   3   7.448  14.256  -7.564
   23   2HB   ALA   3          2HB       ALA   3   6.312  15.059  -6.480
   24   3HB   ALA   3          3HB       ALA   3   5.966  13.435  -7.072
   25    H    ASP   4           H        ASP   4   5.313  13.353  -4.244
   26    HA   ASP   4           HA       ASP   4   3.962  11.714  -3.435
   27   1HB   ASP   4          1HB       ASP   4   4.745  10.830  -5.969
   28   2HB   ASP   4          2HB       ASP   4   5.002   9.442  -4.916
   29    HA   PRO   5           HA       PRO   5   7.791  10.072  -1.127
   30   1HB   PRO   5          2HB       PRO   5   7.529  11.622   1.095
   31   2HB   PRO   5          1HB       PRO   5   8.509  12.087  -0.300
   32   1HG   PRO   5          1HG       PRO   5   5.725  12.922   0.426
   33   2HG   PRO   5          2HG       PRO   5   7.067  13.912  -0.178
   34   1HD   PRO   5          2HD       PRO   5   5.074  13.067  -1.787
   35   2HD   PRO   5          1HD       PRO   5   6.743  13.241  -2.367
   36    H    SER   6           H        SER   6   4.521  10.949  -0.164
   37    HA   SER   6           HA       SER   6   4.467   8.997   1.974
   38   1HB   SER   6          1HB       SER   6   2.231  10.695   0.835
   39   2HB   SER   6          2HB       SER   6   2.162   9.757   2.326
   40    HG   SER   6           HG       SER   6   4.087  11.783   1.885
   41    H    LEU   7           H        LEU   7   5.112   7.552  -0.119
   42    HA   LEU   7           HA       LEU   7   2.732   5.941  -0.585
   43   1HB   LEU   7          1HB       LEU   7   2.699   7.352  -2.523
   44   2HB   LEU   7          2HB       LEU   7   4.415   7.114  -2.796
   45    HG   LEU   7           HG       LEU   7   2.776   5.872  -4.322
   46   1HD1  LEU   7          1HD1      LEU   7   4.450   4.463  -4.812
   47   2HD1  LEU   7          2HD1      LEU   7   4.523   3.817  -3.173
   48   3HD1  LEU   7          3HD1      LEU   7   5.323   5.341  -3.557
   49   1HD2  LEU   7          1HD2      LEU   7   1.203   5.025  -2.766
   50   2HD2  LEU   7          2HD2      LEU   7   2.468   4.284  -1.786
   51   3HD2  LEU   7          3HD2      LEU   7   2.099   3.638  -3.386
   52    H    VAL   8           H        VAL   8   6.116   6.172  -1.711
   53    HA   VAL   8           HA       VAL   8   6.624   3.457  -1.926
   54    HB   VAL   8           HB       VAL   8   8.622   5.550  -1.056
   55   1HG1  VAL   8          1HG2      VAL   8   9.089   2.958  -1.028
   56   2HG1  VAL   8          2HG2      VAL   8  10.300   4.098  -1.617
   57   3HG1  VAL   8          3HG2      VAL   8   9.297   3.207  -2.761
   58   1HG2  VAL   8          1HG1      VAL   8   8.066   6.526  -3.001
   59   2HG2  VAL   8          2HG1      VAL   8   7.258   5.083  -3.612
   60   3HG2  VAL   8          3HG1      VAL   8   9.013   5.225  -3.722
   61    H    SER   9           H        SER   9   7.563   5.545   0.809
   62    HA   SER   9           HA       SER   9   8.271   3.375   2.482
   63   1HB   SER   9          2HB       SER   9   9.342   5.307   3.124
   64   2HB   SER   9          1HB       SER   9   7.925   6.317   2.845
   65    HG   SER   9           HG       SER   9   8.140   6.159   5.028
   66    H    PHE  10           H        PHE  10   5.222   4.404   1.528
   67    HA   PHE  10           HA       PHE  10   3.944   3.731   4.058
   68   1HB   PHE  10          2HB       PHE  10   3.276   5.396   1.834
   69   2HB   PHE  10          1HB       PHE  10   2.030   4.162   1.990
   70    HD1  PHE  10           HD1      PHE  10   4.041   6.073   4.484
   71    HD2  PHE  10           HD2      PHE  10   0.181   5.047   3.016
   72    HE1  PHE  10           HE1      PHE  10   3.008   7.355   6.314
   73    HE2  PHE  10           HE2      PHE  10  -0.859   6.326   4.842
   74    HZ   PHE  10           HZ       PHE  10   0.556   7.482   6.494
   75    H    LEU  11           H        LEU  11   3.548   2.764   0.638
   76    HA   LEU  11           HA       LEU  11   2.037   0.476   1.220
   77   1HB   LEU  11          1HB       LEU  11   1.978   0.116  -1.015
   78   2HB   LEU  11          2HB       LEU  11   2.508   1.784  -1.025
   79    HG   LEU  11           HG       LEU  11   3.803   0.673  -2.650
   80   1HD1  LEU  11          1HD2      LEU  11   4.973   1.867  -0.429
   81   2HD1  LEU  11          2HD2      LEU  11   5.698   1.628  -2.018
   82   3HD1  LEU  11          3HD2      LEU  11   5.948   0.433  -0.749
   83   1HD2  LEU  11          1HD1      LEU  11   3.423  -1.593  -1.068
   84   2HD2  LEU  11          2HD1      LEU  11   5.166  -1.329  -1.108
   85   3HD2  LEU  11          3HD1      LEU  11   4.264  -1.491  -2.615
   86    H    THR  12           H        THR  12   5.452   1.066   1.278
   87    HA   THR  12           HA       THR  12   6.168  -1.731   1.330
   88    HB   THR  12           HB       THR  12   7.742   0.797   1.847
   89    HG1  THR  12           HG1      THR  12   8.326   0.607  -0.175
   90   1HG2  THR  12          1HG2      THR  12   9.418  -0.339   2.711
   91   2HG2  THR  12          2HG2      THR  12   9.457  -1.379   1.286
   92   3HG2  THR  12          3HG2      THR  12   8.451  -1.813   2.668
   93    H    GLY  13           H        GLY  13   6.085   0.946   3.665
   94   1HA   GLY  13          2HA       GLY  13   6.870  -0.519   5.943
   95   2HA   GLY  13          1HA       GLY  13   5.938   0.974   5.958
   96    H    LEU  14           H        LEU  14   3.900  -0.293   4.217
   97    HA   LEU  14           HA       LEU  14   1.978  -1.047   6.029
   98   1HB   LEU  14          2HB       LEU  14   1.661  -0.475   3.632
   99   2HB   LEU  14          1HB       LEU  14   2.337  -2.019   3.194
  100    HG   LEU  14           HG       LEU  14   0.443  -3.193   3.896
  101   1HD1  LEU  14          1HD2      LEU  14  -0.251  -0.763   5.531
  102   2HD1  LEU  14          2HD2      LEU  14   0.138  -2.385   6.104
  103   3HD1  LEU  14          3HD2      LEU  14  -1.376  -2.091   5.249
  104   1HD2  LEU  14          1HD1      LEU  14  -0.539  -0.537   2.867
  105   2HD2  LEU  14          2HD1      LEU  14  -1.479  -2.027   2.896
  106   3HD2  LEU  14          3HD1      LEU  14  -0.029  -1.918   1.897
  107    H    GLY  15           H        GLY  15   4.622  -2.875   4.758
  108   1HA   GLY  15          1HA       GLY  15   5.221  -4.819   6.216
  109   2HA   GLY  15          2HA       GLY  15   3.551  -5.321   6.004
  110    H    CYS  16           H        CYS  16   4.788  -3.884   3.183
  111    HA   CYS  16           HA       CYS  16   5.648  -6.493   2.129
  112   1HB   CYS  16          2HB       CYS  16   4.419  -5.639  -0.050
  113   2HB   CYS  16          1HB       CYS  16   3.543  -6.515   1.200
  114    HG   CYS  16           HG       CYS  16   2.696  -4.116   2.043
  115    HA   PRO  17           HA       PRO  17   8.577  -3.114   0.923
  116   1HB   PRO  17          1HB       PRO  17  10.695  -4.790   1.971
  117   2HB   PRO  17          2HB       PRO  17  10.193  -3.184   2.500
  118   1HG   PRO  17          2HG       PRO  17   9.849  -5.438   3.998
  119   2HG   PRO  17          1HG       PRO  17   8.805  -4.011   4.119
  120   1HD   PRO  17          2HD       PRO  17   8.331  -6.590   2.672
  121   2HD   PRO  17          1HD       PRO  17   7.200  -5.612   3.633
  122    H    ASN  18           H        ASN  18   7.876  -6.178  -0.082
  123    HA   ASN  18           HA       ASN  18   9.867  -6.006  -2.231
  124   1HB   ASN  18          1HB       ASN  18  10.204  -8.400  -2.196
  125   2HB   ASN  18          2HB       ASN  18  10.519  -7.761  -0.585
  126   1HD2  ASN  18          2HD2      ASN  18   9.917 -10.449  -1.201
  127   2HD2  ASN  18          1HD2      ASN  18   8.424 -10.846  -0.426
  128    H    CYS  19           H        CYS  19   6.893  -5.391  -1.846
  129    HA   CYS  19           HA       CYS  19   5.896  -7.059  -4.055
  130   1HB   CYS  19          1HB       CYS  19   4.265  -5.563  -1.992
  131   2HB   CYS  19          2HB       CYS  19   3.640  -6.635  -3.242
  132    HG   CYS  19           HG       CYS  19   3.801  -8.374  -1.534
  133    H    ILE  20           H        ILE  20   6.552  -3.850  -2.970
  134    HA   ILE  20           HA       ILE  20   4.945  -2.266  -4.534
  135    HB   ILE  20           HB       ILE  20   6.549  -1.375  -2.900
  136   1HG1  ILE  20          1HG1      ILE  20   7.352   0.559  -4.262
  137   2HG1  ILE  20          2HG1      ILE  20   6.889  -0.317  -5.718
  138   1HG2  ILE  20          1HG2      ILE  20   8.878  -1.297  -3.285
  139   2HG2  ILE  20          2HG2      ILE  20   8.691  -1.832  -4.957
  140   3HG2  ILE  20          3HG2      ILE  20   8.381  -2.955  -3.632
  141   1HD1  ILE  20          1HD1      ILE  20   4.598  -0.374  -4.210
  142   2HD1  ILE  20          2HD1      ILE  20   4.945   0.736  -5.537
  143   3HD1  ILE  20          3HD1      ILE  20   5.268   1.223  -3.873
  144    H    GLU  21           H        GLU  21   7.806  -4.070  -5.474
  145    HA   GLU  21           HA       GLU  21   8.131  -2.919  -8.040
  146   1HB   GLU  21          2HB       GLU  21   8.912  -5.639  -6.992
  147   2HB   GLU  21          1HB       GLU  21   9.476  -4.955  -8.508
  148   1HG   GLU  21          2HG       GLU  21   9.942  -3.150  -6.304
  149   2HG   GLU  21          1HG       GLU  21  10.673  -4.729  -6.014
  150    H    TYR  22           H        TYR  22   6.344  -5.695  -6.827
  151    HA   TYR  22           HA       TYR  22   5.466  -6.563  -9.413
  152   1HB   TYR  22          1HB       TYR  22   4.111  -7.279  -6.823
  153   2HB   TYR  22          2HB       TYR  22   4.274  -8.248  -8.283
  154    HD1  TYR  22           HD1      TYR  22   4.908  -9.166  -5.465
  155    HD2  TYR  22           HD2      TYR  22   7.350  -7.437  -8.491
  156    HE1  TYR  22           HE1      TYR  22   6.881 -10.274  -4.501
  157    HE2  TYR  22           HE2      TYR  22   9.327  -8.539  -7.535
  158    HH   TYR  22           HH       TYR  22   9.267 -10.087  -4.465
  159    H    PHE  23           H        PHE  23   4.303  -4.400  -6.952
  160    HA   PHE  23           HA       PHE  23   1.669  -4.136  -8.106
  161   1HB   PHE  23          1HB       PHE  23   3.116  -3.015  -5.767
  162   2HB   PHE  23          2HB       PHE  23   1.840  -2.016  -6.455
  163    HD1  PHE  23           HD1      PHE  23   2.515  -5.423  -5.148
  164    HD2  PHE  23           HD2      PHE  23  -0.379  -2.394  -5.893
  165    HE1  PHE  23           HE1      PHE  23   0.835  -6.731  -3.915
  166    HE2  PHE  23           HE2      PHE  23  -2.065  -3.696  -4.661
  167    HZ   PHE  23           HZ       PHE  23  -1.458  -5.867  -3.669
  168    H    THR  24           H        THR  24   4.675  -2.267  -7.978
  169    HA   THR  24           HA       THR  24   3.852   0.053  -9.244
  170    HB   THR  24           HB       THR  24   6.267   0.105 -10.131
  171    HG1  THR  24           HG1      THR  24   6.763  -2.048 -10.146
  172   1HG2  THR  24          1HG2      THR  24   6.112   1.335  -8.227
  173   2HG2  THR  24          2HG2      THR  24   7.192   0.051  -7.682
  174   3HG2  THR  24          3HG2      THR  24   5.476  -0.008  -7.277
  175    H    SER  25           H        SER  25   4.458  -3.098 -10.589
  176    HA   SER  25           HA       SER  25   4.876  -2.592 -13.249
  177   1HB   SER  25          2HB       SER  25   4.490  -4.843 -11.842
  178   2HB   SER  25          1HB       SER  25   2.914  -4.741 -12.628
  179    HG   SER  25           HG       SER  25   3.807  -5.192 -14.487
  180    H    GLN  26           H        GLN  26   1.958  -2.123 -11.425
  181    HA   GLN  26           HA       GLN  26   0.423  -1.637 -13.874
  182   1HB   GLN  26          2HB       GLN  26  -0.793  -1.429 -11.152
  183   2HB   GLN  26          1HB       GLN  26  -1.514  -1.975 -12.660
  184   1HG   GLN  26          2HG       GLN  26   0.459  -3.502 -10.976
  185   2HG   GLN  26          1HG       GLN  26  -1.273  -3.810 -11.100
  186   1HE2  GLN  26          2HE2      GLN  26   0.285  -5.876 -11.585
  187   2HE2  GLN  26          1HE2      GLN  26   0.369  -6.237 -13.271
  188    H    GLY  27           H        GLY  27   0.892  -0.079 -10.694
  189   1HA   GLY  27          1HA       GLY  27   1.665   2.413 -11.553
  190   2HA   GLY  27          2HA       GLY  27  -0.090   2.444 -11.623
  191    H    LEU  28           H        LEU  28   2.113   0.909  -9.294
  192    HA   LEU  28           HA       LEU  28   0.651   2.248  -7.148
  193   1HB   LEU  28          1HB       LEU  28   1.660  -0.356  -7.494
  194   2HB   LEU  28          2HB       LEU  28   2.648   0.376  -6.245
  195    HG   LEU  28           HG       LEU  28   0.722  -0.883  -5.350
  196   1HD1  LEU  28          1HD2      LEU  28  -0.248   1.249  -4.098
  197   2HD1  LEU  28          2HD2      LEU  28   1.163   1.999  -4.845
  198   3HD1  LEU  28          3HD2      LEU  28   1.365   0.615  -3.773
  199   1HD2  LEU  28          1HD1      LEU  28  -0.870  -0.479  -7.141
  200   2HD2  LEU  28          2HD1      LEU  28  -0.926   1.234  -6.728
  201   3HD2  LEU  28          3HD1      LEU  28  -1.533   0.033  -5.590
  202    H    GLN  29           H        GLN  29   2.402   3.857  -8.614
  203    HA   GLN  29           HA       GLN  29   4.720   4.205  -6.849
  204   1HB   GLN  29          1HB       GLN  29   5.563   5.749  -8.566
  205   2HB   GLN  29          2HB       GLN  29   5.217   4.163  -9.241
  206   1HG   GLN  29          1HG       GLN  29   4.030   5.174 -10.806
  207   2HG   GLN  29          2HG       GLN  29   2.860   5.604  -9.559
  208   1HE2  GLN  29          2HE2      GLN  29   3.076   7.195 -11.716
  209   2HE2  GLN  29          1HE2      GLN  29   3.837   8.689 -11.301
  210    H    SER  30           H        SER  30   1.719   5.627  -7.844
  211    HA   SER  30           HA       SER  30   2.162   7.864  -5.979
  212   1HB   SER  30          2HB       SER  30   0.261   8.961  -7.334
  213   2HB   SER  30          1HB       SER  30   1.853   8.875  -8.089
  214    HG   SER  30           HG       SER  30  -0.188   6.951  -8.496
  215    H    ILE  31           H        ILE  31   1.104   7.562  -4.127
  216    HA   ILE  31           HA       ILE  31  -0.687   5.586  -3.561
  217    HB   ILE  31           HB       ILE  31   0.460   7.178  -1.937
  218   1HG1  ILE  31          2HG1      ILE  31  -2.074   6.978  -0.671
  219   2HG1  ILE  31          1HG1      ILE  31  -1.925   5.602  -1.761
  220   1HG2  ILE  31          1HG2      ILE  31  -0.492   9.256  -2.846
  221   2HG2  ILE  31          2HG2      ILE  31  -0.828   9.057  -1.127
  222   3HG2  ILE  31          3HG2      ILE  31  -2.091   8.736  -2.315
  223   1HD1  ILE  31          1HD1      ILE  31  -0.974   4.713   0.087
  224   2HD1  ILE  31          2HD1      ILE  31  -0.384   6.269   0.672
  225   3HD1  ILE  31          3HD1      ILE  31   0.460   5.441  -0.636
  226    H    TYR  32           H        TYR  32  -1.313   8.572  -5.192
  227    HA   TYR  32           HA       TYR  32  -4.091   8.752  -4.859
  228   1HB   TYR  32          1HB       TYR  32  -2.446   9.559  -7.268
  229   2HB   TYR  32          2HB       TYR  32  -4.068  10.125  -6.889
  230    HD1  TYR  32           HD1      TYR  32  -1.268  11.606  -7.243
  231    HD2  TYR  32           HD2      TYR  32  -3.690  10.528  -3.916
  232    HE1  TYR  32           HE1      TYR  32  -0.312  13.469  -5.950
  233    HE2  TYR  32           HE2      TYR  32  -2.742  12.386  -2.615
  234    HH   TYR  32           HH       TYR  32  -1.011  13.889  -2.542
  235    H    HIS  33           H        HIS  33  -2.170   6.498  -6.591
  236    HA   HIS  33           HA       HIS  33  -4.285   5.716  -8.414
  237   1HB   HIS  33          2HB       HIS  33  -1.428   5.048  -8.034
  238   2HB   HIS  33          1HB       HIS  33  -2.440   3.740  -8.638
  239    HD1  HIS  33           HD1      HIS  33  -0.232   5.034 -10.381
  240    HD2  HIS  33           HD2      HIS  33  -4.238   6.136 -10.444
  241    HE1  HIS  33           HE1      HIS  33  -0.601   6.101 -12.628
  242    HE2  HIS  33           HE2      HIS  33  -3.032   6.762 -12.645
  243    H    LEU  34           H        LEU  34  -2.950   4.746  -5.348
  244    HA   LEU  34           HA       LEU  34  -4.629   2.349  -5.309
  245   1HB   LEU  34          1HB       LEU  34  -3.385   2.095  -3.019
  246   2HB   LEU  34          2HB       LEU  34  -2.597   1.676  -4.526
  247    HG   LEU  34           HG       LEU  34  -2.243   4.439  -3.459
  248   1HD1  LEU  34          1HD1      LEU  34  -1.672   3.438  -1.481
  249   2HD1  LEU  34          2HD1      LEU  34  -0.132   3.370  -2.337
  250   3HD1  LEU  34          3HD1      LEU  34  -1.160   1.940  -2.259
  251   1HD2  LEU  34          1HD2      LEU  34  -0.944   2.615  -5.365
  252   2HD2  LEU  34          2HD2      LEU  34   0.150   3.575  -4.369
  253   3HD2  LEU  34          3HD2      LEU  34  -1.058   4.373  -5.373
  254    H    GLN  35           H        GLN  35  -5.526   5.173  -5.074
  255    HA   GLN  35           HA       GLN  35  -6.314   5.727  -2.423
  256   1HB   GLN  35          1HB       GLN  35  -7.028   6.707  -5.148
  257   2HB   GLN  35          2HB       GLN  35  -8.092   7.137  -3.813
  258   1HG   GLN  35          1HG       GLN  35  -5.204   7.563  -3.417
  259   2HG   GLN  35          2HG       GLN  35  -6.010   8.603  -4.587
  260   1HE2  GLN  35          2HE2      GLN  35  -6.367   7.375  -1.284
  261   2HE2  GLN  35          1HE2      GLN  35  -7.034   8.828  -0.629
  262    H    ASN  36           H        ASN  36  -7.820   4.079  -5.087
  263    HA   ASN  36           HA       ASN  36 -10.165   3.483  -3.415
  264   1HB   ASN  36          2HB       ASN  36 -11.193   2.958  -5.735
  265   2HB   ASN  36          1HB       ASN  36 -10.927   4.634  -5.283
  266   1HD2  ASN  36          2HD2      ASN  36  -9.063   5.690  -6.047
  267   2HD2  ASN  36          1HD2      ASN  36  -8.392   5.255  -7.572
  268    H    LEU  37           H        LEU  37  -7.484   2.132  -5.013
  269    HA   LEU  37           HA       LEU  37  -8.186  -0.373  -5.793
  270   1HB   LEU  37          2HB       LEU  37  -5.792   0.916  -4.866
  271   2HB   LEU  37          1HB       LEU  37  -5.831  -0.731  -4.287
  272    HG   LEU  37           HG       LEU  37  -6.336  -0.144  -7.182
  273   1HD1  LEU  37          1HD2      LEU  37  -3.938  -0.447  -7.606
  274   2HD1  LEU  37          2HD2      LEU  37  -3.639  -0.426  -5.867
  275   3HD1  LEU  37          3HD2      LEU  37  -4.270   1.011  -6.672
  276   1HD2  LEU  37          1HD1      LEU  37  -5.984  -2.364  -7.506
  277   2HD2  LEU  37          2HD1      LEU  37  -6.567  -2.426  -5.843
  278   3HD2  LEU  37          3HD1      LEU  37  -4.836  -2.492  -6.172
  279    H    THR  38           H        THR  38  -8.374  -2.419  -4.840
  280    HA   THR  38           HA       THR  38  -8.616  -2.529  -1.920
  281    HB   THR  38           HB       THR  38 -10.695  -4.119  -3.148
  282    HG1  THR  38           HG1      THR  38 -11.274  -2.761  -4.637
  283   1HG2  THR  38          1HG2      THR  38 -11.988  -2.190  -1.744
  284   2HG2  THR  38          2HG2      THR  38 -10.410  -2.213  -0.958
  285   3HG2  THR  38          3HG2      THR  38 -11.361  -3.693  -1.070
  286    H    ILE  39           H        ILE  39  -9.088  -4.898  -1.258
  287    HA   ILE  39           HA       ILE  39  -6.985  -6.545  -2.103
  288    HB   ILE  39           HB       ILE  39  -8.182  -6.813   0.049
  289   1HG1  ILE  39          1HG1      ILE  39  -8.098  -9.241   0.104
  290   2HG1  ILE  39          2HG1      ILE  39  -8.259  -9.315  -1.648
  291   1HG2  ILE  39          1HG2      ILE  39 -10.370  -7.999  -1.646
  292   2HG2  ILE  39          2HG2      ILE  39 -10.455  -6.478  -0.754
  293   3HG2  ILE  39          3HG2      ILE  39 -10.311  -8.006   0.116
  294   1HD1  ILE  39          1HD1      ILE  39  -5.934  -8.093  -0.186
  295   2HD1  ILE  39          2HD1      ILE  39  -6.091  -8.309  -1.929
  296   3HD1  ILE  39          3HD1      ILE  39  -5.966  -9.717  -0.874
  297    H    GLU  40           H        GLU  40 -10.277  -6.161  -3.144
  298    HA   GLU  40           HA       GLU  40 -10.618  -8.412  -4.733
  299   1HB   GLU  40          1HB       GLU  40 -11.647  -5.621  -5.266
  300   2HB   GLU  40          2HB       GLU  40 -12.291  -7.105  -5.954
  301   1HG   GLU  40          1HG       GLU  40 -12.256  -7.367  -3.125
  302   2HG   GLU  40          2HG       GLU  40 -13.005  -5.825  -3.540
  303    H    ASP  41           H        ASP  41  -9.211  -5.264  -5.528
  304    HA   ASP  41           HA       ASP  41  -8.507  -6.127  -8.201
  305   1HB   ASP  41          2HB       ASP  41  -8.378  -3.579  -6.671
  306   2HB   ASP  41          1HB       ASP  41  -7.228  -3.786  -7.988
  307    H    LEU  42           H        LEU  42  -6.972  -5.737  -5.087
  308    HA   LEU  42           HA       LEU  42  -4.292  -5.741  -5.810
  309   1HB   LEU  42          2HB       LEU  42  -5.589  -7.064  -3.424
  310   2HB   LEU  42          1HB       LEU  42  -3.873  -6.778  -3.592
  311    HG   LEU  42           HG       LEU  42  -5.969  -4.990  -2.657
  312   1HD1  LEU  42          1HD2      LEU  42  -2.965  -4.988  -2.544
  313   2HD1  LEU  42          2HD2      LEU  42  -4.087  -5.560  -1.309
  314   3HD1  LEU  42          3HD2      LEU  42  -4.000  -3.841  -1.692
  315   1HD2  LEU  42          1HD1      LEU  42  -4.009  -3.854  -4.649
  316   2HD2  LEU  42          2HD1      LEU  42  -5.116  -2.933  -3.631
  317   3HD2  LEU  42          3HD1      LEU  42  -5.751  -3.994  -4.888
  318    H    GLY  43           H        GLY  43  -6.487  -8.479  -5.282
  319   1HA   GLY  43          1HA       GLY  43  -4.549 -10.493  -5.798
  320   2HA   GLY  43          2HA       GLY  43  -6.293 -10.706  -5.824
  321    H    ALA  44           H        ALA  44  -6.010  -8.280  -7.885
  322    HA   ALA  44           HA       ALA  44  -6.156  -9.990 -10.203
  323   1HB   ALA  44          1HB       ALA  44  -6.054  -7.040 -10.496
  324   2HB   ALA  44          2HB       ALA  44  -7.425  -7.728  -9.624
  325   3HB   ALA  44          3HB       ALA  44  -7.096  -8.223 -11.285
  326    H    LEU  45           H        LEU  45  -3.843  -7.906  -8.675
  327    HA   LEU  45           HA       LEU  45  -2.069  -7.470 -10.782
  328   1HB   LEU  45          2HB       LEU  45  -1.800  -7.585  -7.801
  329   2HB   LEU  45          1HB       LEU  45  -0.398  -7.294  -8.812
  330    HG   LEU  45           HG       LEU  45  -1.448  -5.284  -9.707
  331   1HD1  LEU  45          1HD2      LEU  45  -3.752  -5.859  -9.704
  332   2HD1  LEU  45          2HD2      LEU  45  -3.561  -4.473  -8.631
  333   3HD1  LEU  45          3HD2      LEU  45  -3.755  -6.091  -7.956
  334   1HD2  LEU  45          1HD1      LEU  45  -0.114  -4.889  -7.809
  335   2HD2  LEU  45          2HD1      LEU  45  -1.334  -5.556  -6.723
  336   3HD2  LEU  45          3HD1      LEU  45  -1.616  -4.008  -7.519
  337    H    LYS  46           H        LYS  46  -2.823 -10.386  -9.215
  338    HA   LYS  46           HA       LYS  46  -2.058 -12.510  -9.612
  339   1HB   LYS  46          2HB       LYS  46   0.380 -11.526 -11.040
  340   2HB   LYS  46          1HB       LYS  46  -0.557 -12.990 -11.313
  341   1HG   LYS  46          1HG       LYS  46  -2.403 -11.162 -11.936
  342   2HG   LYS  46          2HG       LYS  46  -0.944 -10.266 -12.359
  343   1HD   LYS  46          1HD       LYS  46  -1.700 -13.005 -13.375
  344   2HD   LYS  46          2HD       LYS  46  -1.789 -11.496 -14.288
  345   1HE   LYS  46          2HE       LYS  46   0.654 -11.229 -14.004
  346   2HE   LYS  46          1HE       LYS  46   0.704 -12.798 -13.202
  347   1HZ   LYS  46          1HZ       LYS  46  -0.641 -13.028 -15.672
  348   2HZ   LYS  46          2HZ       LYS  46   0.776 -13.797 -15.161
  349   3HZ   LYS  46          3HZ       LYS  46   0.860 -12.288 -15.920
  350    H    ILE  47           H        ILE  47  -1.162 -10.503  -7.551
  351    HA   ILE  47           HA       ILE  47   1.473 -11.399  -6.783
  352    HB   ILE  47           HB       ILE  47  -0.365  -9.850  -4.988
  353   1HG1  ILE  47          2HG1      ILE  47  -0.422  -8.774  -7.218
  354   2HG1  ILE  47          1HG1      ILE  47   0.385  -7.773  -6.018
  355   1HG2  ILE  47          1HG2      ILE  47   1.601 -10.402  -3.877
  356   2HG2  ILE  47          2HG2      ILE  47   1.906  -8.769  -4.468
  357   3HG2  ILE  47          3HG2      ILE  47   2.595 -10.155  -5.313
  358   1HD1  ILE  47          1HD1      ILE  47   1.387  -8.883  -8.494
  359   2HD1  ILE  47          2HD1      ILE  47   2.443  -9.223  -7.122
  360   3HD1  ILE  47          3HD1      ILE  47   2.008  -7.559  -7.509
  361    HA   PRO  48           HA       PRO  48   0.218 -15.093  -4.647
  362   1HB   PRO  48          2HB       PRO  48   2.176 -14.872  -2.640
  363   2HB   PRO  48          1HB       PRO  48   2.326 -15.754  -4.160
  364   1HG   PRO  48          2HG       PRO  48   3.285 -13.028  -3.445
  365   2HG   PRO  48          1HG       PRO  48   4.020 -14.236  -4.514
  366   1HD   PRO  48          2HD       PRO  48   2.768 -12.090  -5.501
  367   2HD   PRO  48          1HD       PRO  48   2.641 -13.672  -6.298
  368    H    GLU  49           H        GLU  49  -0.172 -15.765  -2.284
  369    HA   GLU  49           HA       GLU  49  -1.786 -13.677  -1.050
  370   1HB   GLU  49          1HB       GLU  49  -1.684 -16.649  -0.914
  371   2HB   GLU  49          2HB       GLU  49  -2.286 -15.795   0.500
  372   1HG   GLU  49          1HG       GLU  49  -4.200 -15.195  -0.508
  373   2HG   GLU  49          2HG       GLU  49  -3.424 -14.937  -2.070
  374    H    GLN  50           H        GLN  50   0.972 -13.252  -0.814
  375    HA   GLN  50           HA       GLN  50   1.828 -14.157   1.790
  376   1HB   GLN  50          1HB       GLN  50   3.178 -11.974   0.237
  377   2HB   GLN  50          2HB       GLN  50   3.890 -13.166   1.314
  378   1HG   GLN  50          2HG       GLN  50   2.716 -14.633  -0.754
  379   2HG   GLN  50          1HG       GLN  50   3.514 -13.264  -1.528
  380   1HE2  GLN  50          2HE2      GLN  50   4.113 -16.165  -1.464
  381   2HE2  GLN  50          1HE2      GLN  50   5.752 -16.275  -0.937
  382    H    TYR  51           H        TYR  51   1.050 -11.008   0.314
  383    HA   TYR  51           HA       TYR  51   0.150 -10.079   2.940
  384   1HB   TYR  51          1HB       TYR  51   1.873  -8.327   1.193
  385   2HB   TYR  51          2HB       TYR  51   1.410  -8.073   2.873
  386    HD1  TYR  51           HD1      TYR  51   2.295  -9.799   4.591
  387    HD2  TYR  51           HD2      TYR  51   3.926  -9.303   0.693
  388    HE1  TYR  51           HE1      TYR  51   4.380 -10.872   5.332
  389    HE2  TYR  51           HE2      TYR  51   6.014 -10.374   1.423
  390    HH   TYR  51           HH       TYR  51   6.942 -10.714   4.460
  391    H    ARG  52           H        ARG  52  -1.142 -10.875   0.372
  392    HA   ARG  52           HA       ARG  52  -2.071  -8.745  -1.126
  393   1HB   ARG  52          2HB       ARG  52  -2.603 -11.431  -1.011
  394   2HB   ARG  52          1HB       ARG  52  -4.126 -10.743  -0.465
  395   1HG   ARG  52          2HG       ARG  52  -4.222  -9.376  -2.509
  396   2HG   ARG  52          1HG       ARG  52  -2.727 -10.136  -3.062
  397   1HD   ARG  52          2HD       ARG  52  -4.505 -12.200  -2.300
  398   2HD   ARG  52          1HD       ARG  52  -5.406 -11.070  -3.312
  399    HE   ARG  52           HE       ARG  52  -3.085 -11.463  -4.673
  400   1HH1  ARG  52          2HH2      ARG  52  -5.538 -13.568  -3.379
  401   2HH1  ARG  52          1HH2      ARG  52  -5.317 -14.787  -4.590
  402   1HH2  ARG  52          2HH1      ARG  52  -2.783 -13.063  -6.274
  403   2HH2  ARG  52          1HH1      ARG  52  -3.750 -14.499  -6.236
  404    H    MET  53           H        MET  53  -3.688 -10.192   1.705
  405    HA   MET  53           HA       MET  53  -5.706  -8.267   1.932
  406   1HB   MET  53          2HB       MET  53  -4.464  -9.916   4.142
  407   2HB   MET  53          1HB       MET  53  -6.034  -9.124   4.199
  408   1HG   MET  53          1HG       MET  53  -5.516 -11.058   2.008
  409   2HG   MET  53          2HG       MET  53  -5.781 -11.684   3.634
  410   1HE   MET  53          1HE       MET  53  -8.526  -9.691   4.769
  411   2HE   MET  53          2HE       MET  53  -7.522 -11.108   5.077
  412   3HE   MET  53          3HE       MET  53  -9.187 -11.308   4.530
  413    H    THR  54           H        THR  54  -2.562  -8.492   3.589
  414    HA   THR  54           HA       THR  54  -2.744  -6.300   5.251
  415    HB   THR  54           HB       THR  54  -0.352  -7.350   3.729
  416    HG1  THR  54           HG1      THR  54  -0.564  -8.846   5.171
  417   1HG2  THR  54          1HG2      THR  54  -0.278  -5.560   6.140
  418   2HG2  THR  54          2HG2      THR  54   0.028  -5.018   4.489
  419   3HG2  THR  54          3HG2      THR  54   1.091  -6.210   5.238
  420    H    ILE  55           H        ILE  55  -1.668  -6.376   1.867
  421    HA   ILE  55           HA       ILE  55  -1.058  -3.684   1.567
  422    HB   ILE  55           HB       ILE  55  -2.244  -5.515  -0.515
  423   1HG1  ILE  55          2HG1      ILE  55   0.656  -4.900  -0.442
  424   2HG1  ILE  55          1HG1      ILE  55   0.054  -5.958   0.830
  425   1HG2  ILE  55          1HG2      ILE  55  -0.566  -3.041  -0.895
  426   2HG2  ILE  55          2HG2      ILE  55  -2.322  -3.086  -1.053
  427   3HG2  ILE  55          3HG2      ILE  55  -1.313  -4.028  -2.152
  428   1HD1  ILE  55          1HD1      ILE  55  -1.068  -6.938  -1.523
  429   2HD1  ILE  55          2HD1      ILE  55   0.257  -7.637  -0.591
  430   3HD1  ILE  55          3HD1      ILE  55   0.602  -6.538  -1.926
  431    H    TRP  56           H        TRP  56  -4.136  -5.304   0.716
  432    HA   TRP  56           HA       TRP  56  -5.597  -3.064   0.033
  433   1HB   TRP  56          1HB       TRP  56  -6.602  -5.141  -0.403
  434   2HB   TRP  56          2HB       TRP  56  -6.354  -5.713   1.241
  435    HD1  TRP  56           HD1      TRP  56  -8.202  -2.497   0.095
  436    HE1  TRP  56           HE1      TRP  56 -10.590  -2.585   1.067
  437    HE3  TRP  56           HE3      TRP  56  -8.020  -7.101   2.293
  438    HZ2  TRP  56           HZ2      TRP  56 -12.169  -4.349   2.552
  439    HZ3  TRP  56           HZ3      TRP  56 -10.021  -7.923   3.477
  440    HH2  TRP  56           HH2      TRP  56 -12.054  -6.573   3.604
  441    H    ARG  57           H        ARG  57  -5.365  -4.585   3.249
  442    HA   ARG  57           HA       ARG  57  -6.951  -2.924   4.728
  443   1HB   ARG  57          1HB       ARG  57  -4.269  -4.035   5.571
  444   2HB   ARG  57          2HB       ARG  57  -5.521  -3.451   6.659
  445   1HG   ARG  57          1HG       ARG  57  -6.478  -5.483   4.808
  446   2HG   ARG  57          2HG       ARG  57  -5.172  -6.046   5.853
  447   1HD   ARG  57          2HD       ARG  57  -6.389  -5.423   7.819
  448   2HD   ARG  57          1HD       ARG  57  -7.637  -4.633   6.854
  449    HE   ARG  57           HE       ARG  57  -7.505  -7.304   6.062
  450   1HH1  ARG  57          2HH1      ARG  57  -8.357  -5.430   8.871
  451   2HH1  ARG  57          1HH1      ARG  57  -9.508  -6.586   9.453
  452   1HH2  ARG  57          2HH2      ARG  57  -9.019  -8.833   6.820
  453   2HH2  ARG  57          1HH2      ARG  57  -9.884  -8.521   8.287
  454    H    GLY  58           H        GLY  58  -3.452  -2.453   4.303
  455   1HA   GLY  58          1HA       GLY  58  -3.217   0.026   5.515
  456   2HA   GLY  58          2HA       GLY  58  -2.188  -0.537   4.204
  457    H    LEU  59           H        LEU  59  -4.346  -0.796   2.303
  458    HA   LEU  59           HA       LEU  59  -4.394   1.871   1.306
  459   1HB   LEU  59          1HB       LEU  59  -5.131  -0.773   0.381
  460   2HB   LEU  59          2HB       LEU  59  -6.347   0.410  -0.059
  461    HG   LEU  59           HG       LEU  59  -4.700   1.739  -1.232
  462   1HD1  LEU  59          1HD2      LEU  59  -2.488  -0.110  -1.167
  463   2HD1  LEU  59          2HD2      LEU  59  -2.870   0.491   0.447
  464   3HD1  LEU  59          3HD2      LEU  59  -2.515   1.626  -0.857
  465   1HD2  LEU  59          1HD1      LEU  59  -4.486  -1.177  -1.963
  466   2HD2  LEU  59          2HD1      LEU  59  -4.123   0.186  -3.023
  467   3HD2  LEU  59          3HD1      LEU  59  -5.773  -0.076  -2.456
  468    H    GLN  60           H        GLN  60  -6.563  -0.127   3.162
  469    HA   GLN  60           HA       GLN  60  -8.890   1.495   2.856
  470   1HB   GLN  60          2HB       GLN  60  -8.097  -0.494   4.993
  471   2HB   GLN  60          1HB       GLN  60  -9.670   0.287   4.917
  472   1HG   GLN  60          1HG       GLN  60  -9.943  -0.697   2.629
  473   2HG   GLN  60          2HG       GLN  60  -8.475  -1.626   2.932
  474   1HE2  GLN  60          1HE2      GLN  60  -8.643  -3.501   3.973
  475   2HE2  GLN  60          2HE2      GLN  60 -10.064  -4.084   4.761
  476    H    ASP  61           H        ASP  61  -6.066   1.570   4.870
  477    HA   ASP  61           HA       ASP  61  -6.963   3.265   6.917
  478   1HB   ASP  61          2HB       ASP  61  -4.602   1.987   6.312
  479   2HB   ASP  61          1HB       ASP  61  -4.181   3.681   6.068
  480    H    LEU  62           H        LEU  62  -5.961   3.866   3.638
  481    HA   LEU  62           HA       LEU  62  -5.685   6.708   3.930
  482   1HB   LEU  62          1HB       LEU  62  -6.121   5.130   1.393
  483   2HB   LEU  62          2HB       LEU  62  -5.454   6.746   1.530
  484    HG   LEU  62           HG       LEU  62  -4.065   4.441   2.846
  485   1HD1  LEU  62          1HD2      LEU  62  -2.767   4.075   0.824
  486   2HD1  LEU  62          2HD2      LEU  62  -3.759   5.248  -0.042
  487   3HD1  LEU  62          3HD2      LEU  62  -4.475   3.744   0.537
  488   1HD2  LEU  62          1HD1      LEU  62  -2.851   6.832   1.514
  489   2HD2  LEU  62          2HD1      LEU  62  -2.191   5.815   2.795
  490   3HD2  LEU  62          3HD1      LEU  62  -3.507   6.935   3.147
  491    H    LYS  63           H        LYS  63  -8.148   4.529   2.608
  492    HA   LYS  63           HA       LYS  63  -9.972   6.360   1.653
  493   1HB   LYS  63          1HB       LYS  63  -9.970   3.582   2.367
  494   2HB   LYS  63          2HB       LYS  63 -11.463   4.316   2.935
  495   1HG   LYS  63          1HG       LYS  63 -10.456   4.619   0.119
  496   2HG   LYS  63          2HG       LYS  63 -11.531   3.316   0.631
  497   1HD   LYS  63          2HD       LYS  63 -13.224   4.699   0.194
  498   2HD   LYS  63          1HD       LYS  63 -12.733   5.598   1.632
  499   1HE   LYS  63          1HE       LYS  63 -11.630   7.212   0.411
  500   2HE   LYS  63          2HE       LYS  63 -11.386   6.147  -0.973
  501   1HZ   LYS  63          1HZ       LYS  63 -13.641   6.380  -1.601
  502   2HZ   LYS  63          2HZ       LYS  63 -13.071   7.942  -1.294
  503   3HZ   LYS  63          3HZ       LYS  63 -14.049   7.161  -0.157
  504    H    GLN  64           H        GLN  64  -9.651   5.126   4.965
  505    HA   GLN  64           HA       GLN  64 -11.839   6.421   6.100
  506   1HB   GLN  64          2HB       GLN  64  -9.451   5.068   7.037
  507   2HB   GLN  64          1HB       GLN  64  -9.858   6.429   8.072
  508   1HG   GLN  64          1HG       GLN  64 -12.073   5.542   8.434
  509   2HG   GLN  64          2HG       GLN  64 -11.759   4.224   7.305
  510   1HE2  GLN  64          2HE2      GLN  64 -12.593   3.511   9.713
  511   2HE2  GLN  64          1HE2      GLN  64 -11.308   2.857  10.665
  512    H    GLY  65           H        GLY  65  -8.531   7.468   6.851
  513   1HA   GLY  65          1HA       GLY  65  -9.177  10.206   6.088
  514   2HA   GLY  65          2HA       GLY  65  -8.888   9.923   7.798
  515    H    HIS  66           H        HIS  66  -7.181  11.577   7.272
  516    HA   HIS  66           HA       HIS  66  -4.767  10.266   6.208
  517   1HB   HIS  66          1HB       HIS  66  -5.843  12.542   5.267
  518   2HB   HIS  66          2HB       HIS  66  -4.829  13.219   6.536
  519    HD1  HIS  66           HD1      HIS  66  -4.450  13.422   3.330
  520    HD2  HIS  66           HD2      HIS  66  -2.275  11.089   5.994
  521    HE1  HIS  66           HE1      HIS  66  -2.244  12.990   2.200
  522    HE2  HIS  66           HE2      HIS  66  -0.944  11.576   3.831
  523    H    ASP  67           H        ASP  67  -3.104   9.926   7.547
  524    HA   ASP  67           HA       ASP  67  -2.872  11.499   9.989
  525   1HB   ASP  67          2HB       ASP  67  -2.638   9.567  11.384
  526   2HB   ASP  67          1HB       ASP  67  -4.121   9.362  10.459
  527    H    TYR  68           HN       TYR  68  -0.786   9.979  11.047
  528    HA   TYR  68           HA       TYR  68   1.349  10.599   9.132
  529   1HB   TYR  68          2HB       TYR  68   1.074  10.869  12.051
  530   2HB   TYR  68          1HB       TYR  68   2.629  10.240  11.514
  531    HD1  TYR  68           HD1      TYR  68   4.172  11.622  10.271
  532    HD2  TYR  68           HD2      TYR  68   0.371  13.131  11.445
  533    HE1  TYR  68           HE1      TYR  68   4.922  13.903   9.743
  534    HE2  TYR  68           HE2      TYR  68   1.110  15.417  10.920
  535    HH   TYR  68           HH       TYR  68   4.409  16.166  10.217
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1  10.823   7.743  -1.693
    2   2H    TYR   1          2H        TYR   1   9.713   6.857  -2.656
    3   3H    TYR   1          3H        TYR   1   9.698   8.572  -2.689
    4    HA   TYR   1           HA       TYR   1  12.095   8.351  -3.439
    5   1HB   TYR   1          1HB       TYR   1  12.100   5.891  -2.932
    6   2HB   TYR   1          2HB       TYR   1  10.971   5.664  -4.263
    7    HD1  TYR   1           HD1      TYR   1  12.217   4.382  -5.777
    8    HD2  TYR   1           HD2      TYR   1  13.918   7.923  -4.146
    9    HE1  TYR   1           HE1      TYR   1  14.100   4.193  -7.347
   10    HE2  TYR   1           HE2      TYR   1  15.806   7.745  -5.711
   11    HH   TYR   1           HH       TYR   1  16.698   5.137  -7.229
   12    H    HIS   2           H        HIS   2  12.403   8.896  -5.627
   13    HA   HIS   2           HA       HIS   2  11.773   9.903  -7.572
   14   1HB   HIS   2          1HB       HIS   2  10.407   7.294  -7.474
   15   2HB   HIS   2          2HB       HIS   2   9.712   8.442  -8.613
   16    HD1  HIS   2           HD1      HIS   2  13.363   8.680  -8.109
   17    HD2  HIS   2           HD2      HIS   2  10.728   6.772 -10.695
   18    HE1  HIS   2           HE1      HIS   2  14.767   7.898 -10.042
   19    HE2  HIS   2           HE2      HIS   2  13.153   6.746 -11.597
   20    H    ALA   3           H        ALA   3  10.732  11.224  -5.463
   21    HA   ALA   3           HA       ALA   3   9.216  12.862  -5.001
   22   1HB   ALA   3          1HB       ALA   3   7.900  13.751  -6.689
   23   2HB   ALA   3          2HB       ALA   3   7.651  12.183  -7.458
   24   3HB   ALA   3          3HB       ALA   3   9.216  12.987  -7.581
   25    H    ASP   4           H        ASP   4   7.064  13.137  -4.168
   26    HA   ASP   4           HA       ASP   4   5.190  12.467  -3.072
   27   1HB   ASP   4          1HB       ASP   4   5.035  11.242  -5.547
   28   2HB   ASP   4          2HB       ASP   4   4.809   9.902  -4.427
   29    HA   PRO   5           HA       PRO   5   7.756   9.516  -0.572
   30   1HB   PRO   5          2HB       PRO   5   7.654  10.941   1.728
   31   2HB   PRO   5          1HB       PRO   5   8.853  11.251   0.467
   32   1HG   PRO   5          1HG       PRO   5   6.290  12.691   1.042
   33   2HG   PRO   5          2HG       PRO   5   7.884  13.360   0.638
   34   1HD   PRO   5          2HD       PRO   5   5.886  13.112  -1.185
   35   2HD   PRO   5          1HD       PRO   5   7.604  12.994  -1.618
   36    H    SER   6           H        SER   6   4.681  11.102  -0.069
   37    HA   SER   6           HA       SER   6   3.826   9.335   2.030
   38   1HB   SER   6          1HB       SER   6   3.031  11.789   1.411
   39   2HB   SER   6          2HB       SER   6   1.873  10.914   0.408
   40    HG   SER   6           HG       SER   6   1.007   9.993   2.187
   41    H    LEU   7           H        LEU   7   4.604   7.539   0.385
   42    HA   LEU   7           HA       LEU   7   2.251   6.139  -0.395
   43   1HB   LEU   7          1HB       LEU   7   2.326   7.525  -2.344
   44   2HB   LEU   7          2HB       LEU   7   4.045   7.251  -2.546
   45    HG   LEU   7           HG       LEU   7   2.440   6.029  -4.128
   46   1HD1  LEU   7          1HD1      LEU   7   4.120   3.965  -2.885
   47   2HD1  LEU   7          2HD1      LEU   7   4.948   5.468  -3.292
   48   3HD1  LEU   7          3HD1      LEU   7   4.092   4.566  -4.543
   49   1HD2  LEU   7          1HD2      LEU   7   0.812   5.247  -2.554
   50   2HD2  LEU   7          2HD2      LEU   7   2.048   4.401  -1.626
   51   3HD2  LEU   7          3HD2      LEU   7   1.634   3.850  -3.248
   52    H    VAL   8           H        VAL   8   5.695   6.297  -1.317
   53    HA   VAL   8           HA       VAL   8   6.033   3.483  -1.357
   54    HB   VAL   8           HB       VAL   8   8.145   5.625  -1.077
   55   1HG1  VAL   8          1HG2      VAL   8   8.479   2.842  -2.165
   56   2HG1  VAL   8          2HG2      VAL   8   8.780   3.250  -0.476
   57   3HG1  VAL   8          3HG2      VAL   8   9.733   4.010  -1.751
   58   1HG2  VAL   8          1HG1      VAL   8   7.183   6.170  -3.085
   59   2HG2  VAL   8          2HG1      VAL   8   6.673   4.515  -3.416
   60   3HG2  VAL   8          3HG1      VAL   8   8.365   4.971  -3.610
   61    H    SER   9           H        SER   9   6.739   5.972   1.059
   62    HA   SER   9           HA       SER   9   8.100   4.423   2.918
   63   1HB   SER   9          1HB       SER   9   6.175   6.444   3.953
   64   2HB   SER   9          2HB       SER   9   7.878   6.204   4.345
   65    HG   SER   9           HG       SER   9   8.462   7.345   2.599
   66    H    PHE  10           H        PHE  10   4.742   4.451   2.089
   67    HA   PHE  10           HA       PHE  10   4.050   2.883   4.462
   68   1HB   PHE  10          1HB       PHE  10   2.557   4.574   2.554
   69   2HB   PHE  10          2HB       PHE  10   1.715   3.120   3.081
   70    HD1  PHE  10           HD1      PHE  10   1.181   2.786   5.453
   71    HD2  PHE  10           HD2      PHE  10   2.925   6.399   4.037
   72    HE1  PHE  10           HE1      PHE  10   0.529   3.913   7.540
   73    HE2  PHE  10           HE2      PHE  10   2.276   7.534   6.121
   74    HZ   PHE  10           HZ       PHE  10   1.076   6.291   7.876
   75    H    LEU  11           H        LEU  11   3.929   2.700   0.921
   76    HA   LEU  11           HA       LEU  11   2.724   0.286   0.518
   77   1HB   LEU  11          2HB       LEU  11   3.922   1.992  -1.111
   78   2HB   LEU  11          1HB       LEU  11   5.236   0.838  -0.990
   79    HG   LEU  11           HG       LEU  11   2.604  -0.341  -1.605
   80   1HD1  LEU  11          1HD2      LEU  11   4.008   1.449  -3.582
   81   2HD1  LEU  11          2HD2      LEU  11   2.404   1.697  -2.894
   82   3HD1  LEU  11          3HD2      LEU  11   2.700   0.329  -3.967
   83   1HD2  LEU  11          1HD1      LEU  11   4.632  -0.960  -3.480
   84   2HD2  LEU  11          2HD1      LEU  11   3.968  -1.980  -2.204
   85   3HD2  LEU  11          3HD1      LEU  11   5.365  -0.955  -1.876
   86    H    THR  12           H        THR  12   6.200   0.756   1.059
   87    HA   THR  12           HA       THR  12   6.688  -2.060   1.323
   88    HB   THR  12           HB       THR  12   8.499   0.240   2.083
   89    HG1  THR  12           HG1      THR  12   8.406   0.620   0.017
   90   1HG2  THR  12          1HG2      THR  12   9.773  -1.442   2.815
   91   2HG2  THR  12          2HG2      THR  12  10.111  -1.680   1.100
   92   3HG2  THR  12          3HG2      THR  12   8.881  -2.658   1.901
   93    H    GLY  13           H        GLY  13   6.688   0.712   3.554
   94   1HA   GLY  13          2HA       GLY  13   7.328  -0.576   5.913
   95   2HA   GLY  13          1HA       GLY  13   6.263   0.820   5.812
   96    H    LEU  14           H        LEU  14   4.411  -0.781   4.068
   97    HA   LEU  14           HA       LEU  14   2.598  -1.610   6.019
   98   1HB   LEU  14          2HB       LEU  14   2.623  -1.245   3.273
   99   2HB   LEU  14          1HB       LEU  14   2.354  -2.963   3.440
  100    HG   LEU  14           HG       LEU  14   0.302  -2.650   4.550
  101   1HD1  LEU  14          1HD2      LEU  14   0.361  -1.086   6.167
  102   2HD1  LEU  14          2HD2      LEU  14  -0.277  -0.029   4.907
  103   3HD1  LEU  14          3HD2      LEU  14   1.452  -0.040   5.257
  104   1HD2  LEU  14          1HD1      LEU  14   0.455  -2.024   2.076
  105   2HD2  LEU  14          2HD1      LEU  14   0.299  -0.355   2.623
  106   3HD2  LEU  14          3HD1      LEU  14  -0.983  -1.515   2.963
  107    H    GLY  15           H        GLY  15   5.341  -3.200   4.712
  108   1HA   GLY  15          1HA       GLY  15   6.156  -5.138   5.958
  109   2HA   GLY  15          2HA       GLY  15   4.493  -5.704   6.021
  110    H    CYS  16           H        CYS  16   5.524  -4.257   3.077
  111    HA   CYS  16           HA       CYS  16   6.050  -6.896   1.895
  112   1HB   CYS  16          1HB       CYS  16   4.370  -4.861   0.455
  113   2HB   CYS  16          2HB       CYS  16   4.515  -6.588   0.146
  114    HG   CYS  16           HG       CYS  16   3.226  -6.698   2.636
  115    HA   PRO  17           HA       PRO  17   9.132  -3.838   0.371
  116   1HB   PRO  17          2HB       PRO  17  11.355  -4.994   1.282
  117   2HB   PRO  17          1HB       PRO  17  10.310  -4.062   2.360
  118   1HG   PRO  17          2HG       PRO  17  10.559  -7.024   2.046
  119   2HG   PRO  17          1HG       PRO  17  10.345  -6.069   3.523
  120   1HD   PRO  17          2HD       PRO  17   8.316  -7.394   2.152
  121   2HD   PRO  17          1HD       PRO  17   8.078  -6.080   3.320
  122    H    ASN  18           H        ASN  18   7.982  -6.552  -0.730
  123    HA   ASN  18           HA       ASN  18   9.995  -6.783  -2.836
  124   1HB   ASN  18          1HB       ASN  18   9.636  -8.740  -0.801
  125   2HB   ASN  18          2HB       ASN  18   9.022  -9.416  -2.307
  126   1HD2  ASN  18          1HD2      ASN  18  11.798  -7.594  -1.065
  127   2HD2  ASN  18          2HD2      ASN  18  12.981  -8.420  -2.016
  128    H    CYS  19           H        CYS  19   7.127  -5.802  -2.430
  129    HA   CYS  19           HA       CYS  19   5.939  -7.354  -4.633
  130   1HB   CYS  19          2HB       CYS  19   3.762  -6.995  -3.727
  131   2HB   CYS  19          1HB       CYS  19   4.775  -7.550  -2.399
  132    HG   CYS  19           HG       CYS  19   3.340  -5.535  -1.589
  133    H    ILE  20           H        ILE  20   6.594  -4.186  -3.318
  134    HA   ILE  20           HA       ILE  20   5.080  -2.508  -4.841
  135    HB   ILE  20           HB       ILE  20   6.679  -1.734  -3.138
  136   1HG1  ILE  20          1HG1      ILE  20   7.435  -0.370  -5.708
  137   2HG1  ILE  20          2HG1      ILE  20   5.772  -0.309  -5.134
  138   1HG2  ILE  20          1HG2      ILE  20   8.491  -3.305  -4.184
  139   2HG2  ILE  20          2HG2      ILE  20   8.966  -1.809  -3.376
  140   3HG2  ILE  20          3HG2      ILE  20   8.884  -1.873  -5.138
  141   1HD1  ILE  20          1HD1      ILE  20   6.499   0.746  -3.078
  142   2HD1  ILE  20          2HD1      ILE  20   7.050   1.663  -4.481
  143   3HD1  ILE  20          3HD1      ILE  20   8.180   0.635  -3.598
  144    H    GLU  21           H        GLU  21   7.793  -4.432  -5.893
  145    HA   GLU  21           HA       GLU  21   8.291  -3.100  -8.345
  146   1HB   GLU  21          2HB       GLU  21   8.726  -5.990  -7.604
  147   2HB   GLU  21          1HB       GLU  21   9.441  -5.177  -8.986
  148   1HG   GLU  21          2HG       GLU  21   9.966  -3.814  -6.471
  149   2HG   GLU  21          1HG       GLU  21  10.580  -5.466  -6.504
  150    H    TYR  22           H        TYR  22   6.250  -5.822  -7.419
  151    HA   TYR  22           HA       TYR  22   5.263  -6.263 -10.086
  152   1HB   TYR  22          1HB       TYR  22   4.138  -7.249  -7.454
  153   2HB   TYR  22          2HB       TYR  22   3.766  -7.878  -9.056
  154    HD1  TYR  22           HD1      TYR  22   6.475  -7.542  -6.549
  155    HD2  TYR  22           HD2      TYR  22   5.117  -9.527 -10.059
  156    HE1  TYR  22           HE1      TYR  22   8.321  -9.152  -6.345
  157    HE2  TYR  22           HE2      TYR  22   6.960 -11.144  -9.863
  158    HH   TYR  22           HH       TYR  22   8.440 -11.992  -7.676
  159    H    PHE  23           H        PHE  23   4.407  -4.386  -7.302
  160    HA   PHE  23           HA       PHE  23   1.754  -3.739  -8.216
  161   1HB   PHE  23          1HB       PHE  23   3.510  -2.876  -5.946
  162   2HB   PHE  23          2HB       PHE  23   2.122  -1.884  -6.378
  163    HD1  PHE  23           HD1      PHE  23   3.249  -4.927  -4.795
  164    HD2  PHE  23           HD2      PHE  23  -0.161  -2.827  -6.238
  165    HE1  PHE  23           HE1      PHE  23   1.787  -6.398  -3.470
  166    HE2  PHE  23           HE2      PHE  23  -1.628  -4.295  -4.916
  167    HZ   PHE  23           HZ       PHE  23  -0.655  -6.083  -3.531
  168    H    THR  24           H        THR  24   4.987  -2.447  -8.483
  169    HA   THR  24           HA       THR  24   4.252   0.143  -9.407
  170    HB   THR  24           HB       THR  24   6.657   0.069 -10.363
  171    HG1  THR  24           HG1      THR  24   7.223  -1.993 -10.435
  172   1HG2  THR  24          1HG2      THR  24   5.828   0.059  -7.544
  173   2HG2  THR  24          2HG2      THR  24   6.750   1.250  -8.461
  174   3HG2  THR  24          3HG2      THR  24   7.543  -0.204  -7.855
  175    H    SER  25           H        SER  25   4.743  -2.946 -10.969
  176    HA   SER  25           HA       SER  25   5.056  -2.221 -13.607
  177   1HB   SER  25          1HB       SER  25   3.176  -4.446 -13.267
  178   2HB   SER  25          2HB       SER  25   4.772  -4.424 -14.016
  179    HG   SER  25           HG       SER  25   4.194  -5.519 -11.766
  180    H    GLN  26           H        GLN  26   2.257  -1.895 -11.601
  181    HA   GLN  26           HA       GLN  26   0.566  -1.298 -13.919
  182   1HB   GLN  26          1HB       GLN  26  -0.524  -1.185 -11.152
  183   2HB   GLN  26          2HB       GLN  26  -1.278  -1.761 -12.632
  184   1HG   GLN  26          2HG       GLN  26   0.857  -3.232 -11.103
  185   2HG   GLN  26          1HG       GLN  26  -0.875  -3.543 -10.984
  186   1HE2  GLN  26          2HE2      GLN  26   0.889  -5.524 -11.693
  187   2HE2  GLN  26          1HE2      GLN  26   0.637  -5.956 -13.347
  188    H    GLY  27           H        GLY  27   1.537   0.116 -10.802
  189   1HA   GLY  27          1HA       GLY  27   2.252   2.585 -11.383
  190   2HA   GLY  27          2HA       GLY  27   0.523   2.721 -11.667
  191    H    LEU  28           H        LEU  28   2.464   1.094  -9.161
  192    HA   LEU  28           HA       LEU  28   0.738   2.328  -7.141
  193   1HB   LEU  28          1HB       LEU  28   1.980  -0.238  -7.430
  194   2HB   LEU  28          2HB       LEU  28   2.547   0.505  -5.949
  195    HG   LEU  28           HG       LEU  28   0.513  -0.984  -5.745
  196   1HD1  LEU  28          1HD2      LEU  28  -0.740   1.071  -4.505
  197   2HD1  LEU  28          2HD2      LEU  28   0.889   1.725  -4.682
  198   3HD1  LEU  28          3HD2      LEU  28   0.639   0.196  -3.841
  199   1HD2  LEU  28          1HD1      LEU  28  -0.551  -0.119  -7.845
  200   2HD2  LEU  28          2HD1      LEU  28  -0.934   1.358  -6.961
  201   3HD2  LEU  28          3HD1      LEU  28  -1.613  -0.182  -6.439
  202    H    GLN  29           H        GLN  29   2.629   3.988  -8.374
  203    HA   GLN  29           HA       GLN  29   4.739   4.307  -6.363
  204   1HB   GLN  29          2HB       GLN  29   5.751   5.893  -7.937
  205   2HB   GLN  29          1HB       GLN  29   5.471   4.333  -8.698
  206   1HG   GLN  29          2HG       GLN  29   3.187   5.574  -9.358
  207   2HG   GLN  29          1HG       GLN  29   4.267   6.963  -9.258
  208   1HE2  GLN  29          2HE2      GLN  29   3.277   4.286 -11.095
  209   2HE2  GLN  29          1HE2      GLN  29   4.414   4.447 -12.385
  210    H    SER  30           H        SER  30   1.841   5.732  -7.617
  211    HA   SER  30           HA       SER  30   2.081   7.936  -5.677
  212   1HB   SER  30          2HB       SER  30   0.132   8.058  -7.942
  213   2HB   SER  30          1HB       SER  30   0.968   9.372  -7.113
  214    HG   SER  30           HG       SER  30   1.640   8.202  -9.382
  215    H    ILE  31           H        ILE  31   0.924   7.509  -3.910
  216    HA   ILE  31           HA       ILE  31  -0.869   5.506  -3.525
  217    HB   ILE  31           HB       ILE  31   0.116   7.147  -1.805
  218   1HG1  ILE  31          1HG1      ILE  31  -2.430   6.718  -0.658
  219   2HG1  ILE  31          2HG1      ILE  31  -2.171   5.407  -1.806
  220   1HG2  ILE  31          1HG2      ILE  31  -1.070   9.134  -2.812
  221   2HG2  ILE  31          2HG2      ILE  31  -1.213   8.952  -1.064
  222   3HG2  ILE  31          3HG2      ILE  31  -2.555   8.489  -2.111
  223   1HD1  ILE  31          1HD1      ILE  31  -0.041   4.892  -0.721
  224   2HD1  ILE  31          2HD1      ILE  31  -1.404   4.777   0.393
  225   3HD1  ILE  31          3HD1      ILE  31  -0.336   6.180   0.447
  226    H    TYR  32           H        TYR  32  -1.460   8.547  -5.079
  227    HA   TYR  32           HA       TYR  32  -4.244   8.669  -4.972
  228   1HB   TYR  32          2HB       TYR  32  -2.155   9.723  -6.819
  229   2HB   TYR  32          1HB       TYR  32  -3.829   9.769  -7.363
  230    HD1  TYR  32           HD1      TYR  32  -1.940  10.550  -4.225
  231    HD2  TYR  32           HD2      TYR  32  -4.925  11.754  -7.006
  232    HE1  TYR  32           HE1      TYR  32  -2.298  12.615  -2.937
  233    HE2  TYR  32           HE2      TYR  32  -5.292  13.822  -5.727
  234    HH   TYR  32           HH       TYR  32  -3.174  14.867  -3.272
  235    H    HIS  33           H        HIS  33  -2.169   6.495  -6.643
  236    HA   HIS  33           HA       HIS  33  -4.153   5.706  -8.600
  237   1HB   HIS  33          2HB       HIS  33  -1.314   5.209  -8.123
  238   2HB   HIS  33          1HB       HIS  33  -2.185   3.752  -8.587
  239    HD1  HIS  33           HD1      HIS  33  -0.120   4.844 -10.504
  240    HD2  HIS  33           HD2      HIS  33  -4.122   5.959 -10.603
  241    HE1  HIS  33           HE1      HIS  33  -0.530   5.671 -12.843
  242    HE2  HIS  33           HE2      HIS  33  -2.959   6.341 -12.881
  243    H    LEU  34           H        LEU  34  -2.976   4.672  -5.489
  244    HA   LEU  34           HA       LEU  34  -4.671   2.281  -5.585
  245   1HB   LEU  34          1HB       LEU  34  -3.463   1.869  -3.327
  246   2HB   LEU  34          2HB       LEU  34  -2.609   1.606  -4.834
  247    HG   LEU  34           HG       LEU  34  -2.381   4.285  -3.546
  248   1HD1  LEU  34          1HD1      LEU  34  -0.233   2.924  -2.526
  249   2HD1  LEU  34          2HD1      LEU  34  -1.557   1.779  -2.306
  250   3HD1  LEU  34          3HD1      LEU  34  -1.672   3.402  -1.625
  251   1HD2  LEU  34          1HD2      LEU  34  -1.052   4.426  -5.333
  252   2HD2  LEU  34          2HD2      LEU  34  -0.998   2.679  -5.551
  253   3HD2  LEU  34          3HD2      LEU  34   0.084   3.458  -4.396
  254    H    GLN  35           H        GLN  35  -5.578   5.076  -5.259
  255    HA   GLN  35           HA       GLN  35  -6.351   5.560  -2.591
  256   1HB   GLN  35          1HB       GLN  35  -7.026   6.628  -5.275
  257   2HB   GLN  35          2HB       GLN  35  -8.191   6.939  -3.994
  258   1HG   GLN  35          2HG       GLN  35  -5.367   7.495  -3.377
  259   2HG   GLN  35          1HG       GLN  35  -6.133   8.534  -4.576
  260   1HE2  GLN  35          2HE2      GLN  35  -5.346   8.487  -1.478
  261   2HE2  GLN  35          1HE2      GLN  35  -6.655   9.379  -0.788
  262    H    ASN  36           H        ASN  36  -7.948   4.101  -5.315
  263    HA   ASN  36           HA       ASN  36 -10.279   3.460  -3.656
  264   1HB   ASN  36          2HB       ASN  36 -11.220   2.836  -6.019
  265   2HB   ASN  36          1HB       ASN  36 -11.071   4.519  -5.539
  266   1HD2  ASN  36          2HD2      ASN  36  -9.283   5.712  -6.251
  267   2HD2  ASN  36          1HD2      ASN  36  -8.530   5.342  -7.754
  268    H    LEU  37           H        LEU  37  -7.596   2.061  -5.246
  269    HA   LEU  37           HA       LEU  37  -8.343  -0.489  -5.865
  270   1HB   LEU  37          2HB       LEU  37  -5.910   0.849  -5.317
  271   2HB   LEU  37          1HB       LEU  37  -5.884  -0.644  -4.407
  272    HG   LEU  37           HG       LEU  37  -6.697  -0.815  -7.259
  273   1HD1  LEU  37          1HD2      LEU  37  -4.656  -0.435  -8.185
  274   2HD1  LEU  37          2HD2      LEU  37  -3.784  -0.836  -6.705
  275   3HD1  LEU  37          3HD2      LEU  37  -4.582   0.729  -6.862
  276   1HD2  LEU  37          1HD1      LEU  37  -4.805  -2.534  -5.682
  277   2HD2  LEU  37          2HD1      LEU  37  -5.703  -2.946  -7.143
  278   3HD2  LEU  37          3HD1      LEU  37  -6.554  -2.736  -5.613
  279    H    THR  38           H        THR  38  -8.594  -2.434  -4.799
  280    HA   THR  38           HA       THR  38  -8.688  -2.363  -1.859
  281    HB   THR  38           HB       THR  38 -10.758  -4.028  -3.099
  282    HG1  THR  38           HG1      THR  38 -10.963  -2.351  -4.543
  283   1HG2  THR  38          1HG2      THR  38 -12.017  -2.243  -1.468
  284   2HG2  THR  38          2HG2      THR  38 -10.415  -2.361  -0.741
  285   3HG2  THR  38          3HG2      THR  38 -11.383  -3.815  -0.982
  286    H    ILE  39           H        ILE  39  -9.242  -4.740  -1.103
  287    HA   ILE  39           HA       ILE  39  -7.081  -6.384  -1.811
  288    HB   ILE  39           HB       ILE  39  -8.351  -6.545   0.327
  289   1HG1  ILE  39          1HG1      ILE  39  -8.198  -8.989   0.503
  290   2HG1  ILE  39          2HG1      ILE  39  -8.170  -9.116  -1.254
  291   1HG2  ILE  39          1HG2      ILE  39 -10.393  -8.078  -1.262
  292   2HG2  ILE  39          2HG2      ILE  39 -10.603  -6.407  -0.742
  293   3HG2  ILE  39          3HG2      ILE  39 -10.436  -7.688   0.457
  294   1HD1  ILE  39          1HD1      ILE  39  -6.106  -7.341  -0.335
  295   2HD1  ILE  39          2HD1      ILE  39  -5.982  -8.810  -1.301
  296   3HD1  ILE  39          3HD1      ILE  39  -5.992  -8.911   0.459
  297    H    GLU  40           H        GLU  40 -10.343  -6.081  -2.956
  298    HA   GLU  40           HA       GLU  40 -10.637  -8.416  -4.424
  299   1HB   GLU  40          1HB       GLU  40 -11.664  -5.677  -5.183
  300   2HB   GLU  40          2HB       GLU  40 -12.311  -7.221  -5.723
  301   1HG   GLU  40          1HG       GLU  40 -12.305  -7.269  -2.904
  302   2HG   GLU  40          2HG       GLU  40 -12.966  -5.712  -3.401
  303    H    ASP  41           H        ASP  41  -9.286  -5.292  -5.425
  304    HA   ASP  41           HA       ASP  41  -8.531  -6.299  -8.020
  305   1HB   ASP  41          2HB       ASP  41  -8.336  -3.687  -6.593
  306   2HB   ASP  41          1HB       ASP  41  -7.224  -3.979  -7.927
  307    H    LEU  42           H        LEU  42  -7.089  -5.983  -4.894
  308    HA   LEU  42           HA       LEU  42  -4.379  -5.955  -5.503
  309   1HB   LEU  42          2HB       LEU  42  -5.959  -7.094  -3.219
  310   2HB   LEU  42          1HB       LEU  42  -4.230  -7.341  -3.299
  311    HG   LEU  42           HG       LEU  42  -5.556  -5.207  -2.108
  312   1HD1  LEU  42          1HD2      LEU  42  -3.423  -4.527  -1.456
  313   2HD1  LEU  42          2HD2      LEU  42  -2.676  -5.143  -2.930
  314   3HD1  LEU  42          3HD2      LEU  42  -3.282  -6.266  -1.711
  315   1HD2  LEU  42          1HD1      LEU  42  -5.648  -4.350  -4.592
  316   2HD2  LEU  42          2HD1      LEU  42  -3.968  -3.931  -4.273
  317   3HD2  LEU  42          3HD1      LEU  42  -5.251  -3.263  -3.265
  318    H    GLY  43           H        GLY  43  -6.548  -8.735  -5.042
  319   1HA   GLY  43          1HA       GLY  43  -4.573 -10.695  -5.629
  320   2HA   GLY  43          2HA       GLY  43  -6.310 -10.952  -5.602
  321    H    ALA  44           H        ALA  44  -6.125  -8.492  -7.653
  322    HA   ALA  44           HA       ALA  44  -6.368 -10.179  -9.969
  323   1HB   ALA  44          1HB       ALA  44  -6.223  -7.452 -10.729
  324   2HB   ALA  44          2HB       ALA  44  -7.169  -7.551  -9.244
  325   3HB   ALA  44          3HB       ALA  44  -7.640  -8.498 -10.655
  326    H    LEU  45           H        LEU  45  -4.085  -7.737  -8.804
  327    HA   LEU  45           HA       LEU  45  -2.348  -7.482 -10.880
  328   1HB   LEU  45          2HB       LEU  45  -1.988  -7.587  -7.918
  329   2HB   LEU  45          1HB       LEU  45  -0.584  -7.437  -8.952
  330    HG   LEU  45           HG       LEU  45  -1.471  -5.362  -9.883
  331   1HD1  LEU  45          1HD2      LEU  45  -3.805  -5.900  -8.065
  332   2HD1  LEU  45          2HD2      LEU  45  -3.820  -5.773  -9.824
  333   3HD1  LEU  45          3HD2      LEU  45  -3.492  -4.347  -8.841
  334   1HD2  LEU  45          1HD1      LEU  45  -1.042  -3.982  -8.046
  335   2HD2  LEU  45          2HD1      LEU  45  -0.168  -5.471  -7.685
  336   3HD2  LEU  45          3HD1      LEU  45  -1.717  -5.147  -6.906
  337    H    LYS  46           H        LYS  46  -2.810 -10.231  -8.853
  338    HA   LYS  46           HA       LYS  46  -2.235 -12.426  -9.229
  339   1HB   LYS  46          2HB       LYS  46  -1.775 -11.927 -11.628
  340   2HB   LYS  46          1HB       LYS  46  -0.136 -11.471 -11.174
  341   1HG   LYS  46          2HG       LYS  46   0.474 -13.604 -10.648
  342   2HG   LYS  46          1HG       LYS  46  -1.185 -14.120 -10.358
  343   1HD   LYS  46          1HD       LYS  46  -0.681 -13.238 -13.104
  344   2HD   LYS  46          2HD       LYS  46   0.262 -14.649 -12.625
  345   1HE   LYS  46          2HE       LYS  46  -2.670 -14.531 -12.063
  346   2HE   LYS  46          1HE       LYS  46  -2.087 -14.977 -13.665
  347   1HZ   LYS  46          1HZ       LYS  46  -0.633 -16.438 -11.780
  348   2HZ   LYS  46          2HZ       LYS  46  -1.737 -17.016 -12.924
  349   3HZ   LYS  46          3HZ       LYS  46  -2.270 -16.582 -11.379
  350    H    ILE  47           H        ILE  47  -1.001 -10.278  -7.524
  351    HA   ILE  47           HA       ILE  47   1.683 -11.152  -6.998
  352    HB   ILE  47           HB       ILE  47   0.059  -9.535  -5.061
  353   1HG1  ILE  47          1HG1      ILE  47  -0.414  -8.461  -7.161
  354   2HG1  ILE  47          2HG1      ILE  47   0.801  -7.496  -6.328
  355   1HG2  ILE  47          1HG2      ILE  47   2.193 -10.035  -4.238
  356   2HG2  ILE  47          2HG2      ILE  47   2.328  -8.391  -4.862
  357   3HG2  ILE  47          3HG2      ILE  47   2.960  -9.744  -5.800
  358   1HD1  ILE  47          1HD1      ILE  47   1.498  -7.575  -8.553
  359   2HD1  ILE  47          2HD1      ILE  47   1.152  -9.300  -8.691
  360   3HD1  ILE  47          3HD1      ILE  47   2.516  -8.749  -7.716
  361    HA   PRO  48           HA       PRO  48   1.023 -14.730  -4.475
  362   1HB   PRO  48          2HB       PRO  48   2.916 -13.268  -2.668
  363   2HB   PRO  48          1HB       PRO  48   2.916 -14.970  -3.149
  364   1HG   PRO  48          2HG       PRO  48   4.578 -13.228  -4.298
  365   2HG   PRO  48          1HG       PRO  48   3.802 -14.510  -5.245
  366   1HD   PRO  48          2HD       PRO  48   3.261 -11.597  -5.212
  367   2HD   PRO  48          1HD       PRO  48   3.007 -12.778  -6.510
  368    H    GLU  49           H        GLU  49  -0.154 -15.324  -2.662
  369    HA   GLU  49           HA       GLU  49  -1.680 -13.181  -1.426
  370   1HB   GLU  49          2HB       GLU  49  -2.782 -15.232  -2.337
  371   2HB   GLU  49          1HB       GLU  49  -1.980 -16.171  -1.085
  372   1HG   GLU  49          2HG       GLU  49  -3.221 -15.160   0.625
  373   2HG   GLU  49          1HG       GLU  49  -3.759 -13.850  -0.426
  374    H    GLN  50           H        GLN  50   0.889 -13.025  -0.570
  375    HA   GLN  50           HA       GLN  50   1.173 -14.439   1.942
  376   1HB   GLN  50          1HB       GLN  50   2.958 -12.176   1.143
  377   2HB   GLN  50          2HB       GLN  50   3.354 -13.656   2.006
  378   1HG   GLN  50          2HG       GLN  50   2.514 -14.514  -0.498
  379   2HG   GLN  50          1HG       GLN  50   3.479 -13.074  -0.817
  380   1HE2  GLN  50          2HE2      GLN  50   3.931 -15.978  -1.284
  381   2HE2  GLN  50          1HE2      GLN  50   5.464 -16.308  -0.565
  382    H    TYR  51           H        TYR  51   0.970 -11.024   0.936
  383    HA   TYR  51           HA       TYR  51  -0.366 -10.435   3.478
  384   1HB   TYR  51          1HB       TYR  51   1.027  -8.157   3.189
  385   2HB   TYR  51          2HB       TYR  51   1.616  -9.520   4.133
  386    HD1  TYR  51           HD1      TYR  51   1.552  -8.825   0.458
  387    HD2  TYR  51           HD2      TYR  51   3.904  -9.682   3.898
  388    HE1  TYR  51           HE1      TYR  51   3.565  -8.921  -0.950
  389    HE2  TYR  51           HE2      TYR  51   5.924  -9.780   2.499
  390    HH   TYR  51           HH       TYR  51   5.761  -9.720  -0.974
  391    H    ARG  52           H        ARG  52  -1.401 -10.782   0.785
  392    HA   ARG  52           HA       ARG  52  -1.882  -8.410  -0.580
  393   1HB   ARG  52          2HB       ARG  52  -2.675 -11.028  -0.854
  394   2HB   ARG  52          1HB       ARG  52  -4.189 -10.221  -0.474
  395   1HG   ARG  52          2HG       ARG  52  -4.248  -9.101  -2.441
  396   2HG   ARG  52          1HG       ARG  52  -2.492  -8.949  -2.533
  397   1HD   ARG  52          1HD       ARG  52  -3.168 -10.413  -4.282
  398   2HD   ARG  52          2HD       ARG  52  -2.395 -11.400  -3.041
  399    HE   ARG  52           HE       ARG  52  -5.147 -11.358  -2.547
  400   1HH1  ARG  52          2HH2      ARG  52  -2.895 -12.561  -4.913
  401   2HH1  ARG  52          1HH2      ARG  52  -3.889 -13.906  -5.366
  402   1HH2  ARG  52          2HH1      ARG  52  -6.465 -13.124  -3.135
  403   2HH2  ARG  52          1HH1      ARG  52  -5.920 -14.226  -4.355
  404    H    MET  53           H        MET  53  -3.775  -9.902   2.034
  405    HA   MET  53           HA       MET  53  -5.783  -7.951   2.165
  406   1HB   MET  53          1HB       MET  53  -4.690  -9.696   4.383
  407   2HB   MET  53          2HB       MET  53  -6.212  -8.816   4.439
  408   1HG   MET  53          2HG       MET  53  -6.317 -10.327   2.095
  409   2HG   MET  53          1HG       MET  53  -5.627 -11.393   3.317
  410   1HE   MET  53          1HE       MET  53  -8.640 -12.595   2.512
  411   2HE   MET  53          2HE       MET  53  -8.227 -11.191   1.527
  412   3HE   MET  53          3HE       MET  53  -9.737 -11.217   2.439
  413    H    THR  54           H        THR  54  -2.699  -8.226   3.903
  414    HA   THR  54           HA       THR  54  -2.935  -6.077   5.626
  415    HB   THR  54           HB       THR  54  -0.478  -7.053   4.154
  416    HG1  THR  54           HG1      THR  54  -1.362  -8.631   5.471
  417   1HG2  THR  54          1HG2      THR  54   0.857  -6.046   5.875
  418   2HG2  THR  54          2HG2      THR  54  -0.584  -5.411   6.668
  419   3HG2  THR  54          3HG2      THR  54  -0.114  -4.806   5.079
  420    H    ILE  55           H        ILE  55  -1.815  -6.099   2.260
  421    HA   ILE  55           HA       ILE  55  -1.200  -3.373   2.073
  422    HB   ILE  55           HB       ILE  55  -2.168  -5.189  -0.132
  423   1HG1  ILE  55          2HG1      ILE  55   0.702  -4.477   0.299
  424   2HG1  ILE  55          1HG1      ILE  55  -0.016  -5.717   1.324
  425   1HG2  ILE  55          1HG2      ILE  55  -2.340  -2.960  -0.896
  426   2HG2  ILE  55          2HG2      ILE  55  -0.825  -3.579  -1.551
  427   3HG2  ILE  55          3HG2      ILE  55  -0.808  -2.508  -0.149
  428   1HD1  ILE  55          1HD1      ILE  55   0.950  -6.891  -0.435
  429   2HD1  ILE  55          2HD1      ILE  55   0.378  -5.738  -1.642
  430   3HD1  ILE  55          3HD1      ILE  55  -0.763  -6.825  -0.849
  431    H    TRP  56           H        TRP  56  -4.213  -5.135   1.453
  432    HA   TRP  56           HA       TRP  56  -5.713  -2.982   0.461
  433   1HB   TRP  56          1HB       TRP  56  -6.609  -5.147   0.165
  434   2HB   TRP  56          2HB       TRP  56  -6.447  -5.540   1.873
  435    HD1  TRP  56           HD1      TRP  56  -8.235  -2.452   0.373
  436    HE1  TRP  56           HE1      TRP  56 -10.687  -2.501   1.171
  437    HE3  TRP  56           HE3      TRP  56  -8.187  -6.909   2.851
  438    HZ2  TRP  56           HZ2      TRP  56 -12.363  -4.192   2.647
  439    HZ3  TRP  56           HZ3      TRP  56 -10.263  -7.681   3.937
  440    HH2  TRP  56           HH2      TRP  56 -12.309  -6.347   3.836
  441    H    ARG  57           H        ARG  57  -5.427  -4.259   3.763
  442    HA   ARG  57           HA       ARG  57  -7.082  -2.570   5.136
  443   1HB   ARG  57          1HB       ARG  57  -4.341  -3.334   6.137
  444   2HB   ARG  57          2HB       ARG  57  -5.780  -3.011   7.094
  445   1HG   ARG  57          1HG       ARG  57  -6.444  -5.099   5.331
  446   2HG   ARG  57          2HG       ARG  57  -4.856  -5.480   6.001
  447   1HD   ARG  57          2HD       ARG  57  -7.139  -4.604   7.740
  448   2HD   ARG  57          1HD       ARG  57  -6.916  -6.292   7.284
  449    HE   ARG  57           HE       ARG  57  -4.536  -5.167   8.371
  450   1HH1  ARG  57          1HH2      ARG  57  -7.644  -6.489   9.219
  451   2HH1  ARG  57          2HH2      ARG  57  -7.139  -7.009  10.792
  452   1HH2  ARG  57          1HH1      ARG  57  -3.860  -5.849  10.440
  453   2HH2  ARG  57          2HH1      ARG  57  -4.987  -6.646  11.485
  454    H    GLY  58           H        GLY  58  -3.621  -1.982   4.545
  455   1HA   GLY  58          2HA       GLY  58  -3.472   0.598   5.569
  456   2HA   GLY  58          1HA       GLY  58  -2.454  -0.021   4.275
  457    H    LEU  59           H        LEU  59  -4.401  -0.483   2.327
  458    HA   LEU  59           HA       LEU  59  -4.703   2.102   1.215
  459   1HB   LEU  59          1HB       LEU  59  -5.283  -0.648   0.441
  460   2HB   LEU  59          2HB       LEU  59  -6.499   0.477  -0.132
  461    HG   LEU  59           HG       LEU  59  -4.752   1.802  -1.241
  462   1HD1  LEU  59          1HD2      LEU  59  -3.024   0.083   0.339
  463   2HD1  LEU  59          2HD2      LEU  59  -2.688   1.638  -0.422
  464   3HD1  LEU  59          3HD2      LEU  59  -2.554   0.150  -1.359
  465   1HD2  LEU  59          1HD1      LEU  59  -5.281   0.524  -2.974
  466   2HD2  LEU  59          2HD1      LEU  59  -5.563  -0.864  -1.924
  467   3HD2  LEU  59          3HD1      LEU  59  -3.944  -0.542  -2.544
  468    H    GLN  60           H        GLN  60  -6.744   0.072   3.173
  469    HA   GLN  60           HA       GLN  60  -9.160   1.531   2.726
  470   1HB   GLN  60          1HB       GLN  60  -8.306  -0.382   4.904
  471   2HB   GLN  60          2HB       GLN  60  -9.915   0.319   4.812
  472   1HG   GLN  60          1HG       GLN  60 -10.030  -0.665   2.470
  473   2HG   GLN  60          2HG       GLN  60  -8.608  -1.602   2.925
  474   1HE2  GLN  60          1HE2      GLN  60  -8.786  -3.214   4.442
  475   2HE2  GLN  60          2HE2      GLN  60 -10.308  -3.825   4.982
  476    H    ASP  61           H        ASP  61  -6.322   2.099   4.546
  477    HA   ASP  61           HA       ASP  61  -7.561   3.819   6.505
  478   1HB   ASP  61          1HB       ASP  61  -5.157   2.423   6.356
  479   2HB   ASP  61          2HB       ASP  61  -4.677   4.111   6.197
  480    H    LEU  62           H        LEU  62  -6.072   4.106   3.382
  481    HA   LEU  62           HA       LEU  62  -5.538   6.912   3.483
  482   1HB   LEU  62          2HB       LEU  62  -4.798   6.665   1.318
  483   2HB   LEU  62          1HB       LEU  62  -4.665   5.030   1.908
  484    HG   LEU  62           HG       LEU  62  -7.029   4.728   0.866
  485   1HD1  LEU  62          1HD1      LEU  62  -7.625   6.117  -0.851
  486   2HD1  LEU  62          2HD1      LEU  62  -5.977   6.693  -1.086
  487   3HD1  LEU  62          3HD1      LEU  62  -6.924   7.270   0.285
  488   1HD2  LEU  62          1HD2      LEU  62  -4.993   4.859  -1.238
  489   2HD2  LEU  62          2HD2      LEU  62  -5.983   3.504  -0.695
  490   3HD2  LEU  62          3HD2      LEU  62  -4.533   3.954   0.204
  491    H    LYS  63           H        LYS  63  -8.108   4.871   2.370
  492    HA   LYS  63           HA       LYS  63  -9.764   7.175   1.650
  493   1HB   LYS  63          1HB       LYS  63  -9.486   4.638   0.550
  494   2HB   LYS  63          2HB       LYS  63 -11.031   4.567   1.387
  495   1HG   LYS  63          1HG       LYS  63 -11.255   5.242  -0.963
  496   2HG   LYS  63          2HG       LYS  63 -11.834   6.480   0.154
  497   1HD   LYS  63          1HD       LYS  63  -9.163   7.104  -0.198
  498   2HD   LYS  63          2HD       LYS  63  -9.695   6.602  -1.805
  499   1HE   LYS  63          2HE       LYS  63 -11.568   8.365  -0.401
  500   2HE   LYS  63          1HE       LYS  63 -10.006   9.101  -0.757
  501   1HZ   LYS  63          1HZ       LYS  63 -10.987   9.529  -2.717
  502   2HZ   LYS  63          2HZ       LYS  63 -12.122   8.283  -2.565
  503   3HZ   LYS  63          3HZ       LYS  63 -10.551   7.936  -3.086
  504    H    GLN  64           H        GLN  64  -9.159   6.830   4.390
  505    HA   GLN  64           HA       GLN  64 -11.285   5.535   5.769
  506   1HB   GLN  64          1HB       GLN  64 -10.390   6.552   7.755
  507   2HB   GLN  64          2HB       GLN  64  -9.041   6.036   6.751
  508   1HG   GLN  64          1HG       GLN  64  -9.138   8.489   5.866
  509   2HG   GLN  64          2HG       GLN  64  -9.995   8.788   7.377
  510   1HE2  GLN  64          2HE2      GLN  64  -7.047   8.817   5.959
  511   2HE2  GLN  64          1HE2      GLN  64  -6.044   8.652   7.357
  512    H    GLY  65           H        GLY  65 -10.811   8.730   4.447
  513   1HA   GLY  65          1HA       GLY  65 -12.829   9.962   3.833
  514   2HA   GLY  65          2HA       GLY  65 -13.533   9.432   5.353
  515    H    HIS  66           H        HIS  66 -13.703  11.037   6.759
  516    HA   HIS  66           HA       HIS  66 -11.545  13.041   6.856
  517   1HB   HIS  66          1HB       HIS  66 -13.822  13.819   5.993
  518   2HB   HIS  66          2HB       HIS  66 -14.403  13.586   7.638
  519    HD1  HIS  66           HD1      HIS  66 -11.536  15.455   5.960
  520    HD2  HIS  66           HD2      HIS  66 -14.234  15.848   9.098
  521    HE1  HIS  66           HE1      HIS  66 -11.092  17.725   6.948
  522    HE2  HIS  66           HE2      HIS  66 -12.737  17.941   8.845
  523    H    ASP  67           H        ASP  67 -10.356  12.380   8.538
  524    HA   ASP  67           HA       ASP  67 -11.545  12.475  11.162
  525   1HB   ASP  67          1HB       ASP  67 -11.330  10.074   9.968
  526   2HB   ASP  67          2HB       ASP  67  -9.852  10.161  10.902
  527    H    TYR  68           HN       TYR  68  -9.554  13.845   9.524
  528    HA   TYR  68           HA       TYR  68  -7.735  14.545  11.535
  529   1HB   TYR  68          1HB       TYR  68  -5.739  13.461  10.925
  530   2HB   TYR  68          2HB       TYR  68  -6.967  12.199  10.851
  531    HD1  TYR  68           HD1      TYR  68  -4.119  12.985   9.342
  532    HD2  TYR  68           HD2      TYR  68  -8.214  12.542   8.280
  533    HE1  TYR  68           HE1      TYR  68  -3.457  12.473   7.030
  534    HE2  TYR  68           HE2      TYR  68  -7.564  12.028   5.964
  535    HH   TYR  68           HH       TYR  68  -4.318  11.382   5.067
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1   2.087  22.701  -0.379
    2   2H    TYR   1          2H        TYR   1   3.471  22.296   0.550
    3   3H    TYR   1          3H        TYR   1   1.906  21.879   1.115
    4    HA   TYR   1           HA       TYR   1   1.619  20.447  -0.793
    5   1HB   TYR   1          1HB       TYR   1   4.114  21.782  -1.499
    6   2HB   TYR   1          2HB       TYR   1   4.241  20.029  -1.624
    7    HD1  TYR   1           HD1      TYR   1   4.195  19.534  -3.889
    8    HD2  TYR   1           HD2      TYR   1   1.362  22.294  -2.323
    9    HE1  TYR   1           HE1      TYR   1   3.066  19.604  -6.073
   10    HE2  TYR   1           HE2      TYR   1   0.225  22.372  -4.502
   11    HH   TYR   1           HH       TYR   1   1.567  21.306  -7.316
   12    H    HIS   2           H        HIS   2   2.238  18.215  -0.641
   13    HA   HIS   2           HA       HIS   2   3.468  17.590   1.948
   14   1HB   HIS   2          2HB       HIS   2   1.736  15.867   0.161
   15   2HB   HIS   2          1HB       HIS   2   2.330  15.419   1.757
   16    HD1  HIS   2           HD1      HIS   2   0.006  15.199   2.791
   17    HD2  HIS   2           HD2      HIS   2   0.745  18.946   1.156
   18    HE1  HIS   2           HE1      HIS   2  -1.872  16.667   3.595
   19    HE2  HIS   2           HE2      HIS   2  -1.405  18.931   2.594
   20    H    ALA   3           H        ALA   3   4.535  15.308   1.928
   21    HA   ALA   3           HA       ALA   3   6.845  15.478   0.319
   22   1HB   ALA   3          1HB       ALA   3   7.656  13.950   1.726
   23   2HB   ALA   3          2HB       ALA   3   6.341  12.824   1.393
   24   3HB   ALA   3          3HB       ALA   3   6.127  14.101   2.591
   25    H    ASP   4           H        ASP   4   7.615  13.972  -1.272
   26    HA   ASP   4           HA       ASP   4   5.559  13.255  -3.162
   27   1HB   ASP   4          1HB       ASP   4   8.433  13.702  -3.220
   28   2HB   ASP   4          2HB       ASP   4   7.976  12.269  -4.135
   29    HA   PRO   5           HA       PRO   5   7.253   8.842  -2.230
   30   1HB   PRO   5          2HB       PRO   5   8.823   9.019   0.215
   31   2HB   PRO   5          1HB       PRO   5   9.304   8.415  -1.371
   32   1HG   PRO   5          1HG       PRO   5  10.287  10.710  -0.308
   33   2HG   PRO   5          2HG       PRO   5  10.099  10.457  -2.053
   34   1HD   PRO   5          2HD       PRO   5   8.334  11.966  -0.157
   35   2HD   PRO   5          1HD       PRO   5   8.852  12.399  -1.800
   36    H    SER   6           H        SER   6   4.912   9.851  -1.373
   37    HA   SER   6           HA       SER   6   4.493   9.216   1.422
   38   1HB   SER   6          1HB       SER   6   3.273  11.105   0.543
   39   2HB   SER   6          2HB       SER   6   2.599  10.122  -0.758
   40    HG   SER   6           HG       SER   6   1.396  10.570   1.403
   41    H    LEU   7           H        LEU   7   3.902   7.780  -1.715
   42    HA   LEU   7           HA       LEU   7   2.159   5.729  -0.763
   43   1HB   LEU   7          1HB       LEU   7   2.569   6.669  -3.192
   44   2HB   LEU   7          2HB       LEU   7   3.786   5.409  -3.249
   45    HG   LEU   7           HG       LEU   7   0.805   5.129  -3.044
   46   1HD1  LEU   7          1HD2      LEU   7   1.345   4.986  -5.246
   47   2HD1  LEU   7          2HD2      LEU   7   1.529   3.297  -4.779
   48   3HD1  LEU   7          3HD2      LEU   7   2.950   4.335  -4.928
   49   1HD2  LEU   7          1HD1      LEU   7   1.403   3.654  -1.338
   50   2HD2  LEU   7          2HD1      LEU   7   2.899   3.185  -2.143
   51   3HD2  LEU   7          3HD1      LEU   7   1.353   2.626  -2.769
   52    H    VAL   8           H        VAL   8   5.445   5.458  -2.122
   53    HA   VAL   8           HA       VAL   8   6.027   2.885  -1.504
   54    HB   VAL   8           HB       VAL   8   8.435   3.635  -1.201
   55   1HG1  VAL   8          1HG1      VAL   8   7.028   3.195  -3.406
   56   2HG1  VAL   8          2HG1      VAL   8   8.703   3.743  -3.461
   57   3HG1  VAL   8          3HG1      VAL   8   7.389   4.901  -3.674
   58   1HG2  VAL   8          1HG2      VAL   8   8.949   5.959  -1.718
   59   2HG2  VAL   8          2HG2      VAL   8   7.951   5.848  -0.269
   60   3HG2  VAL   8          3HG2      VAL   8   7.227   6.333  -1.801
   61    H    SER   9           H        SER   9   6.107   5.613   0.729
   62    HA   SER   9           HA       SER   9   7.381   4.339   2.875
   63   1HB   SER   9          2HB       SER   9   5.794   6.085   4.173
   64   2HB   SER   9          1HB       SER   9   7.250   6.578   3.307
   65    HG   SER   9           HG       SER   9   5.831   7.859   2.376
   66    H    PHE  10           H        PHE  10   4.077   4.229   1.749
   67    HA   PHE  10           HA       PHE  10   3.238   2.761   4.131
   68   1HB   PHE  10          1HB       PHE  10   1.878   4.304   2.026
   69   2HB   PHE  10          2HB       PHE  10   1.037   2.832   2.505
   70    HD1  PHE  10           HD1      PHE  10   0.626   2.485   5.013
   71    HD2  PHE  10           HD2      PHE  10   1.668   6.232   3.287
   72    HE1  PHE  10           HE1      PHE  10  -0.278   3.641   6.987
   73    HE2  PHE  10           HE2      PHE  10   0.765   7.396   5.257
   74    HZ   PHE  10           HZ       PHE  10  -0.210   6.100   7.111
   75    H    LEU  11           H        LEU  11   3.345   2.335   0.599
   76    HA   LEU  11           HA       LEU  11   2.286  -0.181   0.372
   77   1HB   LEU  11          2HB       LEU  11   3.226   1.410  -1.433
   78   2HB   LEU  11          1HB       LEU  11   4.752   0.594  -1.155
   79    HG   LEU  11           HG       LEU  11   3.376  -0.243  -3.105
   80   1HD1  LEU  11          1HD1      LEU  11   4.172  -2.393  -2.867
   81   2HD1  LEU  11          2HD1      LEU  11   3.804  -2.453  -1.143
   82   3HD1  LEU  11          3HD1      LEU  11   5.175  -1.507  -1.720
   83   1HD2  LEU  11          1HD2      LEU  11   1.447  -1.510  -2.769
   84   2HD2  LEU  11          2HD2      LEU  11   1.224  -0.107  -1.723
   85   3HD2  LEU  11          3HD2      LEU  11   1.728  -1.650  -1.033
   86    H    THR  12           H        THR  12   5.719   0.571   0.889
   87    HA   THR  12           HA       THR  12   6.348  -2.192   1.425
   88    HB   THR  12           HB       THR  12   8.022   0.302   1.793
   89    HG1  THR  12           HG1      THR  12   8.602   0.065  -0.232
   90   1HG2  THR  12          1HG2      THR  12   8.586  -2.526   2.281
   91   2HG2  THR  12          2HG2      THR  12   9.383  -1.078   2.896
   92   3HG2  THR  12          3HG2      THR  12   9.776  -1.686   1.288
   93    H    GLY  13           H        GLY  13   6.056   0.810   3.286
   94   1HA   GLY  13          2HA       GLY  13   6.842  -0.039   5.785
   95   2HA   GLY  13          1HA       GLY  13   5.578   1.152   5.507
   96    H    LEU  14           H        LEU  14   3.923  -0.848   4.051
   97    HA   LEU  14           HA       LEU  14   2.290  -1.696   6.131
   98   1HB   LEU  14          2HB       LEU  14   2.208  -1.707   3.378
   99   2HB   LEU  14          1HB       LEU  14   2.262  -3.412   3.758
  100    HG   LEU  14           HG       LEU  14   0.015  -3.168   3.757
  101   1HD1  LEU  14          1HD2      LEU  14  -0.875  -3.163   5.882
  102   2HD1  LEU  14          2HD2      LEU  14   0.212  -1.894   6.447
  103   3HD1  LEU  14          3HD2      LEU  14   0.823  -3.528   6.193
  104   1HD2  LEU  14          1HD1      LEU  14   0.652  -0.474   3.540
  105   2HD2  LEU  14          2HD1      LEU  14  -0.460  -0.575   4.905
  106   3HD2  LEU  14          3HD1      LEU  14  -0.935  -1.217   3.332
  107    H    GLY  15           H        GLY  15   5.207  -3.052   4.893
  108   1HA   GLY  15          1HA       GLY  15   6.359  -4.636   6.370
  109   2HA   GLY  15          2HA       GLY  15   4.806  -5.428   6.599
  110    H    CYS  16           H        CYS  16   5.567  -4.278   3.441
  111    HA   CYS  16           HA       CYS  16   6.436  -6.956   2.600
  112   1HB   CYS  16          1HB       CYS  16   4.931  -6.518   0.521
  113   2HB   CYS  16          2HB       CYS  16   4.188  -7.107   2.004
  114    HG   CYS  16           HG       CYS  16   2.720  -5.174   1.177
  115    HA   PRO  17           HA       PRO  17   9.044  -3.772   0.582
  116   1HB   PRO  17          2HB       PRO  17  11.432  -4.665   1.372
  117   2HB   PRO  17          1HB       PRO  17  10.386  -3.759   2.472
  118   1HG   PRO  17          2HG       PRO  17  10.898  -6.697   2.328
  119   2HG   PRO  17          1HG       PRO  17  10.686  -5.665   3.752
  120   1HD   PRO  17          2HD       PRO  17   8.717  -7.273   2.607
  121   2HD   PRO  17          1HD       PRO  17   8.426  -5.922   3.719
  122    H    ASN  18           H        ASN  18   8.058  -6.589  -0.333
  123    HA   ASN  18           HA       ASN  18  10.015  -6.811  -2.501
  124   1HB   ASN  18          1HB       ASN  18   9.046  -9.049  -0.733
  125   2HB   ASN  18          2HB       ASN  18   9.661  -9.355  -2.354
  126   1HD2  ASN  18          1HD2      ASN  18  10.607  -9.893   0.497
  127   2HD2  ASN  18          2HD2      ASN  18  12.262  -9.394   0.473
  128    H    CYS  19           H        CYS  19   7.115  -5.863  -2.012
  129    HA   CYS  19           HA       CYS  19   5.894  -7.445  -4.173
  130   1HB   CYS  19          2HB       CYS  19   3.728  -6.940  -3.263
  131   2HB   CYS  19          1HB       CYS  19   4.733  -7.553  -1.954
  132    HG   CYS  19           HG       CYS  19   3.667  -4.674  -2.197
  133    H    ILE  20           H        ILE  20   6.773  -4.280  -3.060
  134    HA   ILE  20           HA       ILE  20   5.255  -2.589  -4.594
  135    HB   ILE  20           HB       ILE  20   6.920  -1.801  -2.980
  136   1HG1  ILE  20          1HG1      ILE  20   8.042  -0.410  -5.258
  137   2HG1  ILE  20          2HG1      ILE  20   6.311  -0.657  -5.471
  138   1HG2  ILE  20          1HG2      ILE  20   9.101  -2.201  -4.974
  139   2HG2  ILE  20          2HG2      ILE  20   8.633  -3.534  -3.916
  140   3HG2  ILE  20          3HG2      ILE  20   9.197  -2.012  -3.223
  141   1HD1  ILE  20          1HD1      ILE  20   6.131   0.273  -3.068
  142   2HD1  ILE  20          2HD1      ILE  20   6.412   1.383  -4.409
  143   3HD1  ILE  20          3HD1      ILE  20   7.752   0.896  -3.372
  144    H    GLU  21           H        GLU  21   8.128  -4.406  -5.583
  145    HA   GLU  21           HA       GLU  21   8.491  -3.321  -8.117
  146   1HB   GLU  21          1HB       GLU  21   9.500  -5.577  -8.675
  147   2HB   GLU  21          2HB       GLU  21  10.170  -4.766  -7.266
  148   1HG   GLU  21          1HG       GLU  21   8.146  -6.288  -6.200
  149   2HG   GLU  21          2HG       GLU  21   8.795  -7.316  -7.476
  150    H    TYR  22           H        TYR  22   6.375  -5.952  -7.061
  151    HA   TYR  22           HA       TYR  22   5.425  -6.540  -9.697
  152   1HB   TYR  22          1HB       TYR  22   4.209  -7.255  -7.018
  153   2HB   TYR  22          2HB       TYR  22   3.799  -7.980  -8.569
  154    HD1  TYR  22           HD1      TYR  22   6.499  -7.630  -6.063
  155    HD2  TYR  22           HD2      TYR  22   5.085  -9.754  -9.467
  156    HE1  TYR  22           HE1      TYR  22   8.251  -9.320  -5.728
  157    HE2  TYR  22           HE2      TYR  22   6.835 -11.452  -9.141
  158    HH   TYR  22           HH       TYR  22   8.673 -11.677  -6.302
  159    H    PHE  23           H        PHE  23   4.475  -4.416  -7.107
  160    HA   PHE  23           HA       PHE  23   1.878  -3.821  -8.174
  161   1HB   PHE  23          1HB       PHE  23   3.576  -2.711  -5.962
  162   2HB   PHE  23          2HB       PHE  23   2.156  -1.824  -6.504
  163    HD1  PHE  23           HD1      PHE  23  -0.081  -3.042  -6.490
  164    HD2  PHE  23           HD2      PHE  23   3.371  -4.455  -4.442
  165    HE1  PHE  23           HE1      PHE  23  -1.510  -4.440  -5.055
  166    HE2  PHE  23           HE2      PHE  23   1.949  -5.857  -3.003
  167    HZ   PHE  23           HZ       PHE  23  -0.495  -5.851  -3.309
  168    H    THR  24           H        THR  24   4.955  -2.037  -7.970
  169    HA   THR  24           HA       THR  24   4.249   0.268  -9.291
  170    HB   THR  24           HB       THR  24   6.647   0.414  -9.977
  171    HG1  THR  24           HG1      THR  24   7.794  -1.324 -10.060
  172   1HG2  THR  24          1HG2      THR  24   6.996   1.194  -7.947
  173   2HG2  THR  24          2HG2      THR  24   7.278  -0.452  -7.379
  174   3HG2  THR  24          3HG2      THR  24   5.654   0.235  -7.321
  175    H    SER  25           H        SER  25   4.760  -2.904 -10.608
  176    HA   SER  25           HA       SER  25   5.300  -2.368 -13.262
  177   1HB   SER  25          1HB       SER  25   5.089  -4.636 -12.031
  178   2HB   SER  25          2HB       SER  25   3.383  -4.550 -12.470
  179    HG   SER  25           HG       SER  25   4.367  -5.615 -14.118
  180    H    GLN  26           H        GLN  26   2.363  -1.848 -11.509
  181    HA   GLN  26           HA       GLN  26   0.891  -1.381 -14.008
  182   1HB   GLN  26          1HB       GLN  26  -0.482  -1.191 -11.376
  183   2HB   GLN  26          2HB       GLN  26  -1.065  -1.838 -12.902
  184   1HG   GLN  26          2HG       GLN  26   1.010  -3.251 -11.262
  185   2HG   GLN  26          1HG       GLN  26  -0.717  -3.473 -10.994
  186   1HE2  GLN  26          2HE2      GLN  26   1.136  -5.480 -11.769
  187   2HE2  GLN  26          1HE2      GLN  26   0.651  -6.063 -13.321
  188    H    GLY  27           H        GLY  27   1.859   0.160 -10.992
  189   1HA   GLY  27          1HA       GLY  27   2.448   2.626 -11.562
  190   2HA   GLY  27          2HA       GLY  27   0.730   2.709 -11.923
  191    H    LEU  28           H        LEU  28   2.493   1.069  -9.323
  192    HA   LEU  28           HA       LEU  28   0.723   2.387  -7.406
  193   1HB   LEU  28          1HB       LEU  28   1.976  -0.218  -7.583
  194   2HB   LEU  28          2HB       LEU  28   2.293   0.534  -6.033
  195    HG   LEU  28           HG       LEU  28   0.264  -0.948  -6.112
  196   1HD1  LEU  28          1HD2      LEU  28   0.209   1.911  -5.258
  197   2HD1  LEU  28          2HD2      LEU  28   0.254   0.444  -4.279
  198   3HD1  LEU  28          3HD2      LEU  28  -1.241   0.922  -5.084
  199   1HD2  LEU  28          1HD1      LEU  28  -1.668  -0.322  -7.266
  200   2HD2  LEU  28          2HD1      LEU  28  -0.371  -0.072  -8.433
  201   3HD2  LEU  28          3HD1      LEU  28  -1.066   1.306  -7.579
  202    H    GLN  29           H        GLN  29   2.567   4.052  -8.458
  203    HA   GLN  29           HA       GLN  29   4.590   4.362  -6.344
  204   1HB   GLN  29          1HB       GLN  29   5.833   5.772  -7.875
  205   2HB   GLN  29          2HB       GLN  29   5.491   4.229  -8.646
  206   1HG   GLN  29          2HG       GLN  29   3.380   5.611  -9.515
  207   2HG   GLN  29          1HG       GLN  29   4.521   6.937  -9.304
  208   1HE2  GLN  29          2HE2      GLN  29   6.052   7.255 -10.792
  209   2HE2  GLN  29          1HE2      GLN  29   6.349   6.220 -12.144
  210    H    SER  30           H        SER  30   1.643   5.525  -7.540
  211    HA   SER  30           HA       SER  30   1.868   7.936  -5.881
  212   1HB   SER  30          2HB       SER  30  -0.032   8.031  -8.150
  213   2HB   SER  30          1HB       SER  30   0.992   9.304  -7.485
  214    HG   SER  30           HG       SER  30   2.762   8.327  -8.554
  215    H    ILE  31           H        ILE  31   0.761   7.322  -4.121
  216    HA   ILE  31           HA       ILE  31  -1.110   5.414  -3.822
  217    HB   ILE  31           HB       ILE  31  -0.093   6.894  -2.022
  218   1HG1  ILE  31          1HG1      ILE  31  -2.709   6.697  -0.961
  219   2HG1  ILE  31          2HG1      ILE  31  -2.536   5.388  -2.127
  220   1HG2  ILE  31          1HG2      ILE  31  -1.579   8.874  -3.228
  221   2HG2  ILE  31          2HG2      ILE  31  -0.824   8.964  -1.637
  222   3HG2  ILE  31          3HG2      ILE  31  -2.514   8.483  -1.785
  223   1HD1  ILE  31          1HD1      ILE  31  -1.303   5.746   0.492
  224   2HD1  ILE  31          2HD1      ILE  31  -0.189   5.222  -0.770
  225   3HD1  ILE  31          3HD1      ILE  31  -1.635   4.275  -0.422
  226    H    TYR  32           H        TYR  32  -1.651   8.539  -5.259
  227    HA   TYR  32           HA       TYR  32  -4.432   8.698  -5.104
  228   1HB   TYR  32          2HB       TYR  32  -2.528  10.285  -6.164
  229   2HB   TYR  32          1HB       TYR  32  -3.172   9.575  -7.641
  230    HD1  TYR  32           HD1      TYR  32  -4.103  11.508  -4.619
  231    HD2  TYR  32           HD2      TYR  32  -5.233  10.298  -8.538
  232    HE1  TYR  32           HE1      TYR  32  -5.969  13.109  -4.569
  233    HE2  TYR  32           HE2      TYR  32  -7.102  11.895  -8.499
  234    HH   TYR  32           HH       TYR  32  -8.480  13.058  -6.167
  235    H    HIS  33           H        HIS  33  -2.404   6.586  -6.927
  236    HA   HIS  33           HA       HIS  33  -4.477   5.868  -8.826
  237   1HB   HIS  33          2HB       HIS  33  -2.038   5.901  -9.419
  238   2HB   HIS  33          1HB       HIS  33  -1.813   4.520  -8.350
  239    HD1  HIS  33           HD1      HIS  33  -1.859   2.351  -9.519
  240    HD2  HIS  33           HD2      HIS  33  -4.127   5.214 -11.501
  241    HE1  HIS  33           HE1      HIS  33  -2.719   1.212 -11.590
  242    HE2  HIS  33           HE2      HIS  33  -4.089   2.964 -12.775
  243    H    LEU  34           H        LEU  34  -3.705   5.019  -5.648
  244    HA   LEU  34           HA       LEU  34  -5.175   2.482  -5.919
  245   1HB   LEU  34          2HB       LEU  34  -3.864   2.010  -3.674
  246   2HB   LEU  34          1HB       LEU  34  -3.166   1.671  -5.244
  247    HG   LEU  34           HG       LEU  34  -2.657   4.275  -3.832
  248   1HD1  LEU  34          1HD1      LEU  34  -1.499   3.201  -2.274
  249   2HD1  LEU  34          2HD1      LEU  34  -0.390   2.705  -3.551
  250   3HD1  LEU  34          3HD1      LEU  34  -1.723   1.650  -3.081
  251   1HD2  LEU  34          1HD2      LEU  34  -1.630   2.864  -6.223
  252   2HD2  LEU  34          2HD2      LEU  34  -0.456   3.750  -5.250
  253   3HD2  LEU  34          3HD2      LEU  34  -1.849   4.588  -5.929
  254    H    GLN  35           H        GLN  35  -5.818   5.426  -5.160
  255    HA   GLN  35           HA       GLN  35  -6.575   5.543  -2.477
  256   1HB   GLN  35          1HB       GLN  35  -6.481   7.444  -4.153
  257   2HB   GLN  35          2HB       GLN  35  -8.034   6.882  -4.756
  258   1HG   GLN  35          2HG       GLN  35  -8.938   8.258  -3.271
  259   2HG   GLN  35          1HG       GLN  35  -8.466   7.072  -2.055
  260   1HE2  GLN  35          2HE2      GLN  35  -6.036   7.329  -1.446
  261   2HE2  GLN  35          1HE2      GLN  35  -5.559   8.942  -1.056
  262    H    ASN  36           H        ASN  36  -8.019   3.914  -5.159
  263    HA   ASN  36           HA       ASN  36 -10.383   3.297  -3.515
  264   1HB   ASN  36          1HB       ASN  36 -10.031   3.822  -6.415
  265   2HB   ASN  36          2HB       ASN  36 -11.198   2.578  -5.972
  266   1HD2  ASN  36          2HD2      ASN  36 -10.553   5.896  -6.207
  267   2HD2  ASN  36          1HD2      ASN  36 -12.039   6.475  -5.546
  268    H    LEU  37           H        LEU  37  -7.612   1.993  -5.058
  269    HA   LEU  37           HA       LEU  37  -8.297  -0.565  -5.741
  270   1HB   LEU  37          2HB       LEU  37  -5.903   0.829  -5.136
  271   2HB   LEU  37          1HB       LEU  37  -5.849  -0.692  -4.264
  272    HG   LEU  37           HG       LEU  37  -6.680  -0.935  -7.076
  273   1HD1  LEU  37          1HD2      LEU  37  -3.935  -0.830  -7.339
  274   2HD1  LEU  37          2HD2      LEU  37  -4.319   0.598  -6.378
  275   3HD1  LEU  37          3HD2      LEU  37  -5.089   0.356  -7.945
  276   1HD2  LEU  37          1HD1      LEU  37  -6.140  -2.774  -5.404
  277   2HD2  LEU  37          2HD1      LEU  37  -4.450  -2.322  -5.622
  278   3HD2  LEU  37          3HD1      LEU  37  -5.394  -2.896  -6.996
  279    H    THR  38           H        THR  38  -8.567  -2.517  -4.711
  280    HA   THR  38           HA       THR  38  -8.612  -2.518  -1.772
  281    HB   THR  38           HB       THR  38 -10.765  -4.105  -2.940
  282    HG1  THR  38           HG1      THR  38 -10.794  -2.345  -4.412
  283   1HG2  THR  38          1HG2      THR  38 -11.976  -2.317  -1.332
  284   2HG2  THR  38          2HG2      THR  38 -10.344  -2.306  -0.665
  285   3HG2  THR  38          3HG2      THR  38 -11.240  -3.821  -0.778
  286    H    ILE  39           H        ILE  39  -9.148  -4.872  -1.022
  287    HA   ILE  39           HA       ILE  39  -7.093  -6.580  -1.824
  288    HB   ILE  39           HB       ILE  39  -8.276  -6.819   0.315
  289   1HG1  ILE  39          1HG1      ILE  39  -8.263  -9.214   0.410
  290   2HG1  ILE  39          2HG1      ILE  39  -8.615  -9.342  -1.310
  291   1HG2  ILE  39          1HG2      ILE  39 -10.475  -7.521   0.534
  292   2HG2  ILE  39          2HG2      ILE  39 -10.543  -8.143  -1.115
  293   3HG2  ILE  39          3HG2      ILE  39 -10.546  -6.403  -0.828
  294   1HD1  ILE  39          1HD1      ILE  39  -6.186  -9.692  -0.328
  295   2HD1  ILE  39          2HD1      ILE  39  -6.127  -7.942  -0.532
  296   3HD1  ILE  39          3HD1      ILE  39  -6.464  -8.981  -1.918
  297    H    GLU  40           H        GLU  40 -10.363  -6.159  -2.905
  298    HA   GLU  40           HA       GLU  40 -10.717  -8.434  -4.459
  299   1HB   GLU  40          1HB       GLU  40 -11.743  -5.638  -4.967
  300   2HB   GLU  40          2HB       GLU  40 -12.359  -7.095  -5.731
  301   1HG   GLU  40          1HG       GLU  40 -12.345  -7.317  -2.848
  302   2HG   GLU  40          2HG       GLU  40 -13.276  -5.926  -3.400
  303    H    ASP  41           H        ASP  41  -9.229  -5.331  -5.272
  304    HA   ASP  41           HA       ASP  41  -8.598  -6.210  -7.962
  305   1HB   ASP  41          2HB       ASP  41  -8.063  -3.670  -6.425
  306   2HB   ASP  41          1HB       ASP  41  -7.378  -3.957  -8.022
  307    H    LEU  42           H        LEU  42  -7.058  -5.970  -4.862
  308    HA   LEU  42           HA       LEU  42  -4.372  -5.981  -5.509
  309   1HB   LEU  42          2HB       LEU  42  -5.950  -7.180  -3.262
  310   2HB   LEU  42          1HB       LEU  42  -4.235  -7.503  -3.378
  311    HG   LEU  42           HG       LEU  42  -5.395  -5.406  -2.025
  312   1HD1  LEU  42          1HD2      LEU  42  -2.636  -5.987  -3.004
  313   2HD1  LEU  42          2HD2      LEU  42  -3.296  -6.089  -1.372
  314   3HD1  LEU  42          3HD2      LEU  42  -2.965  -4.514  -2.091
  315   1HD2  LEU  42          1HD1      LEU  42  -5.156  -3.400  -3.093
  316   2HD2  LEU  42          2HD1      LEU  42  -5.691  -4.409  -4.434
  317   3HD2  LEU  42          3HD1      LEU  42  -3.981  -4.025  -4.250
  318    H    GLY  43           H        GLY  43  -6.603  -8.728  -5.236
  319   1HA   GLY  43          1HA       GLY  43  -4.645 -10.686  -5.941
  320   2HA   GLY  43          2HA       GLY  43  -6.384 -10.928  -5.878
  321    H    ALA  44           H        ALA  44  -6.093  -8.327  -7.804
  322    HA   ALA  44           HA       ALA  44  -6.455  -9.895 -10.205
  323   1HB   ALA  44          1HB       ALA  44  -6.256  -6.994 -10.519
  324   2HB   ALA  44          2HB       ALA  44  -7.481  -7.509  -9.360
  325   3HB   ALA  44          3HB       ALA  44  -7.531  -8.106 -11.019
  326    H    LEU  45           H        LEU  45  -4.164  -7.504  -8.958
  327    HA   LEU  45           HA       LEU  45  -2.455  -7.210 -11.078
  328   1HB   LEU  45          2HB       LEU  45  -2.042  -7.290  -8.117
  329   2HB   LEU  45          1HB       LEU  45  -0.678  -7.082  -9.192
  330    HG   LEU  45           HG       LEU  45  -1.668  -5.043 -10.090
  331   1HD1  LEU  45          1HD2      LEU  45  -3.896  -5.512  -8.119
  332   2HD1  LEU  45          2HD2      LEU  45  -4.019  -5.693  -9.869
  333   3HD1  LEU  45          3HD2      LEU  45  -3.705  -4.107  -9.167
  334   1HD2  LEU  45          1HD1      LEU  45  -0.227  -4.821  -8.160
  335   2HD2  LEU  45          2HD1      LEU  45  -1.591  -5.120  -7.081
  336   3HD2  LEU  45          3HD1      LEU  45  -1.545  -3.653  -8.059
  337    H    LYS  46           H        LYS  46  -2.862  -9.924  -8.995
  338    HA   LYS  46           HA       LYS  46  -2.260 -12.113  -9.294
  339   1HB   LYS  46          2HB       LYS  46  -1.979 -11.714 -11.730
  340   2HB   LYS  46          1HB       LYS  46  -0.323 -11.202 -11.420
  341   1HG   LYS  46          2HG       LYS  46   0.356 -13.288 -11.486
  342   2HG   LYS  46          1HG       LYS  46  -0.709 -13.673 -10.131
  343   1HD   LYS  46          1HD       LYS  46  -2.545 -13.731 -12.018
  344   2HD   LYS  46          2HD       LYS  46  -1.152 -14.022 -13.063
  345   1HE   LYS  46          1HE       LYS  46  -0.506 -15.903 -11.560
  346   2HE   LYS  46          2HE       LYS  46  -2.021 -15.662 -10.689
  347   1HZ   LYS  46          1HZ       LYS  46  -1.554 -17.026 -13.143
  348   2HZ   LYS  46          2HZ       LYS  46  -2.734 -15.829 -13.333
  349   3HZ   LYS  46          3HZ       LYS  46  -2.931 -17.031 -12.159
  350    H    ILE  47           H        ILE  47  -0.981  -9.949  -7.697
  351    HA   ILE  47           HA       ILE  47   1.748 -10.844  -7.321
  352    HB   ILE  47           HB       ILE  47   0.290  -9.019  -5.434
  353   1HG1  ILE  47          2HG1      ILE  47   1.583  -8.212  -8.051
  354   2HG1  ILE  47          1HG1      ILE  47  -0.147  -8.209  -7.726
  355   1HG2  ILE  47          1HG2      ILE  47   3.162  -9.213  -6.328
  356   2HG2  ILE  47          2HG2      ILE  47   2.505  -9.748  -4.782
  357   3HG2  ILE  47          3HG2      ILE  47   2.527  -8.031  -5.183
  358   1HD1  ILE  47          1HD1      ILE  47   1.395  -6.044  -7.507
  359   2HD1  ILE  47          2HD1      ILE  47   1.524  -6.663  -5.860
  360   3HD1  ILE  47          3HD1      ILE  47  -0.060  -6.299  -6.544
  361    HA   PRO  48           HA       PRO  48   1.140 -14.240  -4.547
  362   1HB   PRO  48          2HB       PRO  48   3.093 -12.661  -2.904
  363   2HB   PRO  48          1HB       PRO  48   3.063 -14.396  -3.247
  364   1HG   PRO  48          2HG       PRO  48   4.696 -12.745  -4.580
  365   2HG   PRO  48          1HG       PRO  48   3.920 -14.124  -5.377
  366   1HD   PRO  48          2HD       PRO  48   3.387 -11.240  -5.678
  367   2HD   PRO  48          1HD       PRO  48   3.027 -12.575  -6.788
  368    H    GLU  49           H        GLU  49   0.107 -14.712  -2.589
  369    HA   GLU  49           HA       GLU  49  -1.432 -12.495  -1.502
  370   1HB   GLU  49          1HB       GLU  49  -2.936 -14.111  -0.646
  371   2HB   GLU  49          2HB       GLU  49  -2.476 -14.681  -2.243
  372   1HG   GLU  49          1HG       GLU  49  -1.102 -15.659   0.235
  373   2HG   GLU  49          2HG       GLU  49  -2.593 -16.387  -0.359
  374    H    GLN  50           H        GLN  50   1.472 -13.081  -0.827
  375    HA   GLN  50           HA       GLN  50   1.693 -14.032   1.788
  376   1HB   GLN  50          2HB       GLN  50   3.375 -11.933   0.405
  377   2HB   GLN  50          1HB       GLN  50   3.830 -12.805   1.862
  378   1HG   GLN  50          2HG       GLN  50   4.213 -14.767   0.736
  379   2HG   GLN  50          1HG       GLN  50   3.131 -14.343  -0.590
  380   1HE2  GLN  50          2HE2      GLN  50   5.993 -15.228  -0.415
  381   2HE2  GLN  50          1HE2      GLN  50   6.856 -14.074  -1.364
  382    H    TYR  51           H        TYR  51   1.131 -10.745   0.582
  383    HA   TYR  51           HA       TYR  51   0.067 -10.036   3.214
  384   1HB   TYR  51          1HB       TYR  51   1.899  -8.136   1.761
  385   2HB   TYR  51          2HB       TYR  51   1.337  -8.055   3.428
  386    HD1  TYR  51           HD1      TYR  51   2.131  -9.936   5.016
  387    HD2  TYR  51           HD2      TYR  51   3.974  -9.076   1.279
  388    HE1  TYR  51           HE1      TYR  51   4.173 -11.083   5.765
  389    HE2  TYR  51           HE2      TYR  51   6.020 -10.221   2.018
  390    HH   TYR  51           HH       TYR  51   7.134 -10.889   4.026
  391    H    ARG  52           H        ARG  52  -1.194 -10.621   0.655
  392    HA   ARG  52           HA       ARG  52  -1.942  -8.366  -0.791
  393   1HB   ARG  52          2HB       ARG  52  -2.547 -10.997  -0.952
  394   2HB   ARG  52          1HB       ARG  52  -4.060 -10.378  -0.305
  395   1HG   ARG  52          2HG       ARG  52  -4.501  -9.108  -2.190
  396   2HG   ARG  52          1HG       ARG  52  -2.809  -9.083  -2.691
  397   1HD   ARG  52          2HD       ARG  52  -3.532 -10.636  -4.164
  398   2HD   ARG  52          1HD       ARG  52  -3.257 -11.720  -2.802
  399    HE   ARG  52           HE       ARG  52  -5.802 -10.927  -3.916
  400   1HH1  ARG  52          1HH1      ARG  52  -4.139 -12.318  -1.185
  401   2HH1  ARG  52          2HH1      ARG  52  -5.545 -13.127  -0.582
  402   1HH2  ARG  52          1HH2      ARG  52  -7.653 -11.990  -3.127
  403   2HH2  ARG  52          2HH2      ARG  52  -7.540 -12.941  -1.684
  404    H    MET  53           H        MET  53  -3.840  -9.920   1.805
  405    HA   MET  53           HA       MET  53  -5.756  -7.919   2.060
  406   1HB   MET  53          1HB       MET  53  -4.723 -10.062   3.871
  407   2HB   MET  53          2HB       MET  53  -5.804  -8.844   4.534
  408   1HG   MET  53          2HG       MET  53  -7.583  -9.797   3.620
  409   2HG   MET  53          1HG       MET  53  -6.806  -9.907   2.042
  410   1HE   MET  53          1HE       MET  53  -5.841 -11.505   1.059
  411   2HE   MET  53          2HE       MET  53  -6.469 -13.140   1.269
  412   3HE   MET  53          3HE       MET  53  -4.847 -12.739   1.836
  413    H    THR  54           H        THR  54  -2.643  -8.303   3.696
  414    HA   THR  54           HA       THR  54  -2.793  -6.284   5.565
  415    HB   THR  54           HB       THR  54  -0.414  -7.149   3.909
  416    HG1  THR  54           HG1      THR  54  -1.192  -7.884   6.532
  417   1HG2  THR  54          1HG2      THR  54   0.207  -5.079   4.878
  418   2HG2  THR  54          2HG2      THR  54   0.932  -6.362   5.848
  419   3HG2  THR  54          3HG2      THR  54  -0.506  -5.523   6.430
  420    H    ILE  55           H        ILE  55  -1.678  -6.011   2.193
  421    HA   ILE  55           HA       ILE  55  -1.186  -3.242   2.247
  422    HB   ILE  55           HB       ILE  55  -1.981  -4.917  -0.132
  423   1HG1  ILE  55          2HG1      ILE  55   0.848  -4.185   0.334
  424   2HG1  ILE  55          1HG1      ILE  55   0.175  -5.366   1.454
  425   1HG2  ILE  55          1HG2      ILE  55  -0.780  -2.186   0.151
  426   2HG2  ILE  55          2HG2      ILE  55  -2.181  -2.689  -0.795
  427   3HG2  ILE  55          3HG2      ILE  55  -0.557  -3.146  -1.312
  428   1HD1  ILE  55          1HD1      ILE  55  -0.632  -6.558  -0.704
  429   2HD1  ILE  55          2HD1      ILE  55   1.051  -6.701  -0.194
  430   3HD1  ILE  55          3HD1      ILE  55   0.612  -5.581  -1.484
  431    H    TRP  56           H        TRP  56  -4.085  -5.115   1.538
  432    HA   TRP  56           HA       TRP  56  -5.670  -3.024   0.531
  433   1HB   TRP  56          1HB       TRP  56  -6.451  -5.226   0.179
  434   2HB   TRP  56          2HB       TRP  56  -6.295  -5.645   1.880
  435    HD1  TRP  56           HD1      TRP  56  -8.246  -2.644   0.388
  436    HE1  TRP  56           HE1      TRP  56 -10.696  -2.844   1.167
  437    HE3  TRP  56           HE3      TRP  56  -7.961  -7.109   2.847
  438    HZ2  TRP  56           HZ2      TRP  56 -12.282  -4.634   2.618
  439    HZ3  TRP  56           HZ3      TRP  56  -9.998  -8.003   3.910
  440    HH2  TRP  56           HH2      TRP  56 -12.116  -6.789   3.797
  441    H    ARG  57           H        ARG  57  -5.517  -4.399   3.817
  442    HA   ARG  57           HA       ARG  57  -7.272  -2.646   5.058
  443   1HB   ARG  57          2HB       ARG  57  -4.803  -3.650   6.450
  444   2HB   ARG  57          1HB       ARG  57  -6.414  -3.404   7.111
  445   1HG   ARG  57          1HG       ARG  57  -6.811  -5.286   5.135
  446   2HG   ARG  57          2HG       ARG  57  -5.258  -5.740   5.842
  447   1HD   ARG  57          1HD       ARG  57  -7.755  -5.200   7.441
  448   2HD   ARG  57          2HD       ARG  57  -7.237  -6.806   6.927
  449    HE   ARG  57           HE       ARG  57  -5.135  -5.534   8.302
  450   1HH1  ARG  57          1HH1      ARG  57  -8.258  -6.967   8.869
  451   2HH1  ARG  57          2HH1      ARG  57  -7.894  -7.430  10.498
  452   1HH2  ARG  57          2HH2      ARG  57  -4.644  -6.138  10.446
  453   2HH2  ARG  57          1HH2      ARG  57  -5.840  -6.958  11.394
  454    H    GLY  58           H        GLY  58  -3.863  -2.258   4.298
  455   1HA   GLY  58          2HA       GLY  58  -3.557   0.190   5.763
  456   2HA   GLY  58          1HA       GLY  58  -2.429  -0.469   4.585
  457    H    LEU  59           H        LEU  59  -4.464  -0.672   2.496
  458    HA   LEU  59           HA       LEU  59  -4.200   1.965   1.431
  459   1HB   LEU  59          1HB       LEU  59  -4.522  -0.549   0.368
  460   2HB   LEU  59          2HB       LEU  59  -6.097   0.171   0.098
  461    HG   LEU  59           HG       LEU  59  -5.005   2.055  -1.080
  462   1HD1  LEU  59          1HD2      LEU  59  -2.710   1.147   0.169
  463   2HD1  LEU  59          2HD2      LEU  59  -2.806   2.385  -1.082
  464   3HD1  LEU  59          3HD2      LEU  59  -2.479   0.710  -1.523
  465   1HD2  LEU  59          1HD1      LEU  59  -5.445   0.857  -2.890
  466   2HD2  LEU  59          2HD1      LEU  59  -5.301  -0.632  -1.958
  467   3HD2  LEU  59          3HD1      LEU  59  -3.879   0.059  -2.740
  468    H    GLN  60           H        GLN  60  -6.807   0.092   2.878
  469    HA   GLN  60           HA       GLN  60  -8.878   1.941   2.227
  470   1HB   GLN  60          2HB       GLN  60 -10.175   0.743   3.981
  471   2HB   GLN  60          1HB       GLN  60  -9.469  -0.329   2.779
  472   1HG   GLN  60          2HG       GLN  60  -7.675  -0.896   4.322
  473   2HG   GLN  60          1HG       GLN  60  -8.355   0.199   5.525
  474   1HE2  GLN  60          1HE2      GLN  60  -9.470  -2.447   3.432
  475   2HE2  GLN  60          2HE2      GLN  60 -10.381  -3.257   4.656
  476    H    ASP  61           H        ASP  61  -6.468   1.737   4.706
  477    HA   ASP  61           HA       ASP  61  -7.619   3.419   6.643
  478   1HB   ASP  61          2HB       ASP  61  -5.111   2.135   6.212
  479   2HB   ASP  61          1HB       ASP  61  -4.791   3.833   6.557
  480    H    LEU  62           H        LEU  62  -6.064   4.043   3.601
  481    HA   LEU  62           HA       LEU  62  -5.491   6.796   3.992
  482   1HB   LEU  62          1HB       LEU  62  -6.141   5.487   1.357
  483   2HB   LEU  62          2HB       LEU  62  -5.138   6.898   1.637
  484    HG   LEU  62           HG       LEU  62  -4.327   4.257   2.790
  485   1HD1  LEU  62          1HD2      LEU  62  -3.143   3.683   0.779
  486   2HD1  LEU  62          2HD2      LEU  62  -3.709   5.151  -0.018
  487   3HD1  LEU  62          3HD2      LEU  62  -4.855   3.879   0.402
  488   1HD2  LEU  62          1HD1      LEU  62  -2.664   6.496   1.674
  489   2HD2  LEU  62          2HD1      LEU  62  -2.155   5.180   2.733
  490   3HD2  LEU  62          3HD1      LEU  62  -3.214   6.447   3.350
  491    H    LYS  63           H        LYS  63  -8.293   5.010   2.897
  492    HA   LYS  63           HA       LYS  63  -9.769   7.461   2.331
  493   1HB   LYS  63          2HB       LYS  63  -9.875   5.366   0.879
  494   2HB   LYS  63          1HB       LYS  63 -10.810   4.634   2.175
  495   1HG   LYS  63          2HG       LYS  63 -12.125   5.621   0.265
  496   2HG   LYS  63          1HG       LYS  63 -12.593   6.140   1.885
  497   1HD   LYS  63          2HD       LYS  63 -12.503   7.995   0.241
  498   2HD   LYS  63          1HD       LYS  63 -11.420   8.223   1.617
  499   1HE   LYS  63          1HE       LYS  63  -9.688   8.416   0.246
  500   2HE   LYS  63          2HE       LYS  63 -10.011   6.812  -0.411
  501   1HZ   LYS  63          1HZ       LYS  63 -10.157   9.134  -1.795
  502   2HZ   LYS  63          2HZ       LYS  63 -11.780   8.834  -1.427
  503   3HZ   LYS  63          3HZ       LYS  63 -10.873   7.673  -2.260
  504    H    GLN  64           H        GLN  64  -8.972   6.907   5.068
  505    HA   GLN  64           HA       GLN  64 -10.939   5.800   6.666
  506   1HB   GLN  64          2HB       GLN  64  -8.855   7.890   7.061
  507   2HB   GLN  64          1HB       GLN  64 -10.103   7.743   8.291
  508   1HG   GLN  64          1HG       GLN  64  -8.836   5.225   7.444
  509   2HG   GLN  64          2HG       GLN  64  -7.802   6.360   8.311
  510   1HE2  GLN  64          1HE2      GLN  64  -9.147   3.703   8.954
  511   2HE2  GLN  64          2HE2      GLN  64  -9.880   3.980  10.494
  512    H    GLY  65           H        GLY  65 -10.548   9.319   6.674
  513   1HA   GLY  65          2HA       GLY  65 -13.486   9.542   6.428
  514   2HA   GLY  65          1HA       GLY  65 -12.538  10.548   7.511
  515    H    HIS  66           H        HIS  66 -13.371   9.905   4.174
  516    HA   HIS  66           HA       HIS  66 -12.427  12.607   3.495
  517   1HB   HIS  66          1HB       HIS  66 -10.902  10.805   2.607
  518   2HB   HIS  66          2HB       HIS  66 -12.251  10.235   1.628
  519    HD1  HIS  66           HD1      HIS  66  -9.363  12.218   1.307
  520    HD2  HIS  66           HD2      HIS  66 -13.288  12.628   0.006
  521    HE1  HIS  66           HE1      HIS  66  -9.272  13.859  -0.596
  522    HE2  HIS  66           HE2      HIS  66 -11.659  14.093  -1.368
  523    H    ASP  67           H        ASP  67 -13.829  13.842   2.383
  524    HA   ASP  67           HA       ASP  67 -15.778  12.995   0.610
  525   1HB   ASP  67          1HB       ASP  67 -16.771  11.977   2.651
  526   2HB   ASP  67          2HB       ASP  67 -16.950  13.601   3.281
  527    H    TYR  68           HN       TYR  68 -16.732  14.671  -0.395
  528    HA   TYR  68           HA       TYR  68 -16.963  16.813  -1.136
  529   1HB   TYR  68          1HB       TYR  68 -18.557  17.092   0.579
  530   2HB   TYR  68          2HB       TYR  68 -17.329  17.082   1.838
  531    HD1  TYR  68           HD1      TYR  68 -17.924  19.115   2.919
  532    HD2  TYR  68           HD2      TYR  68 -17.158  19.086  -1.265
  533    HE1  TYR  68           HE1      TYR  68 -17.899  21.574   2.913
  534    HE2  TYR  68           HE2      TYR  68 -17.132  21.544  -1.284
  535    HH   TYR  68           HH       TYR  68 -18.140  23.408   0.168
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1  11.175  17.028  -2.870
    2   2H    TYR   1          2H        TYR   1  10.232  16.279  -4.093
    3   3H    TYR   1          3H        TYR   1  10.055  15.795  -2.456
    4    HA   TYR   1           HA       TYR   1   9.061  17.766  -1.852
    5   1HB   TYR   1          2HB       TYR   1  10.563  18.727  -4.133
    6   2HB   TYR   1          1HB       TYR   1   8.897  19.291  -4.203
    7    HD1  TYR   1           HD1      TYR   1   8.252  19.680  -1.369
    8    HD2  TYR   1           HD2      TYR   1  11.821  20.577  -3.502
    9    HE1  TYR   1           HE1      TYR   1   8.776  21.443   0.263
   10    HE2  TYR   1           HE2      TYR   1  12.356  22.343  -1.876
   11    HH   TYR   1           HH       TYR   1  10.648  22.696   1.084
   12    H    HIS   2           H        HIS   2   6.867  18.379  -2.310
   13    HA   HIS   2           HA       HIS   2   4.738  17.993  -3.011
   14   1HB   HIS   2          2HB       HIS   2   6.346  17.580  -5.474
   15   2HB   HIS   2          1HB       HIS   2   4.695  16.968  -5.493
   16    HD1  HIS   2           HD1      HIS   2   6.244  19.670  -6.805
   17    HD2  HIS   2           HD2      HIS   2   3.115  19.400  -4.084
   18    HE1  HIS   2           HE1      HIS   2   5.029  21.866  -6.959
   19    HE2  HIS   2           HE2      HIS   2   3.138  21.682  -5.303
   20    H    ALA   3           H        ALA   3   3.218  16.223  -3.754
   21    HA   ALA   3           HA       ALA   3   3.484  13.968  -2.197
   22   1HB   ALA   3          1HB       ALA   3   1.442  14.920  -3.498
   23   2HB   ALA   3          2HB       ALA   3   1.537  13.192  -3.159
   24   3HB   ALA   3          3HB       ALA   3   1.959  13.801  -4.759
   25    H    ASP   4           H        ASP   4   4.781  12.266  -2.285
   26    HA   ASP   4           HA       ASP   4   5.282  10.767  -4.616
   27   1HB   ASP   4          2HB       ASP   4   7.120  12.971  -4.083
   28   2HB   ASP   4          1HB       ASP   4   7.941  11.415  -4.166
   29    HA   PRO   5           HA       PRO   5   8.028   8.979  -1.091
   30   1HB   PRO   5          2HB       PRO   5   8.374  10.467   1.156
   31   2HB   PRO   5          1HB       PRO   5   9.453  10.561  -0.239
   32   1HG   PRO   5          2HG       PRO   5   7.202  12.373   0.542
   33   2HG   PRO   5          1HG       PRO   5   8.809  12.790  -0.078
   34   1HD   PRO   5          1HD       PRO   5   6.599  12.779  -1.643
   35   2HD   PRO   5          2HD       PRO   5   8.211  12.374  -2.264
   36    H    SER   6           H        SER   6   5.177  10.831  -0.401
   37    HA   SER   6           HA       SER   6   4.423   9.297   1.921
   38   1HB   SER   6          1HB       SER   6   3.764  11.778   1.154
   39   2HB   SER   6          2HB       SER   6   2.403  10.910   0.443
   40    HG   SER   6           HG       SER   6   3.152  11.139   3.146
   41    H    LEU   7           H        LEU   7   4.889   7.380   0.254
   42    HA   LEU   7           HA       LEU   7   2.382   6.094  -0.131
   43   1HB   LEU   7          1HB       LEU   7   2.210   7.379  -2.125
   44   2HB   LEU   7          2HB       LEU   7   3.885   7.083  -2.545
   45    HG   LEU   7           HG       LEU   7   2.087   5.841  -3.873
   46   1HD1  LEU   7          1HD1      LEU   7   3.917   3.814  -2.763
   47   2HD1  LEU   7          2HD1      LEU   7   4.663   5.280  -3.400
   48   3HD1  LEU   7          3HD1      LEU   7   3.629   4.295  -4.434
   49   1HD2  LEU   7          1HD2      LEU   7   0.618   5.070  -2.211
   50   2HD2  LEU   7          2HD2      LEU   7   1.929   4.392  -1.248
   51   3HD2  LEU   7          3HD2      LEU   7   1.475   3.637  -2.776
   52    H    VAL   8           H        VAL   8   5.736   6.110  -1.320
   53    HA   VAL   8           HA       VAL   8   5.957   3.289  -1.462
   54    HB   VAL   8           HB       VAL   8   8.201   5.290  -1.200
   55   1HG1  VAL   8          1HG2      VAL   8   9.120   3.167  -0.874
   56   2HG1  VAL   8          2HG2      VAL   8   9.368   3.479  -2.592
   57   3HG1  VAL   8          3HG2      VAL   8   8.056   2.423  -2.067
   58   1HG2  VAL   8          1HG1      VAL   8   6.729   4.308  -3.641
   59   2HG2  VAL   8          2HG1      VAL   8   8.264   5.175  -3.691
   60   3HG2  VAL   8          3HG1      VAL   8   6.825   5.963  -3.043
   61    H    SER   9           H        SER   9   6.788   5.669   1.010
   62    HA   SER   9           HA       SER   9   8.223   4.000   2.733
   63   1HB   SER   9          1HB       SER   9   7.578   5.639   4.509
   64   2HB   SER   9          2HB       SER   9   8.224   6.399   3.055
   65    HG   SER   9           HG       SER   9   6.348   7.465   3.751
   66    H    PHE  10           H        PHE  10   4.774   4.454   2.298
   67    HA   PHE  10           HA       PHE  10   4.131   2.793   4.589
   68   1HB   PHE  10          2HB       PHE  10   2.739   4.721   2.973
   69   2HB   PHE  10          1HB       PHE  10   1.825   3.217   3.003
   70    HD1  PHE  10           HD1      PHE  10   0.903   2.358   5.077
   71    HD2  PHE  10           HD2      PHE  10   3.052   6.030   4.966
   72    HE1  PHE  10           HE1      PHE  10   0.020   2.937   7.299
   73    HE2  PHE  10           HE2      PHE  10   2.173   6.617   7.188
   74    HZ   PHE  10           HZ       PHE  10   0.655   5.069   8.357
   75    H    LEU  11           H        LEU  11   3.915   2.623   1.055
   76    HA   LEU  11           HA       LEU  11   2.613   0.239   0.699
   77   1HB   LEU  11          2HB       LEU  11   3.623   1.879  -1.023
   78   2HB   LEU  11          1HB       LEU  11   5.074   0.907  -0.882
   79    HG   LEU  11           HG       LEU  11   3.592   0.333  -2.825
   80   1HD1  LEU  11          1HD1      LEU  11   4.311  -1.801  -2.774
   81   2HD1  LEU  11          2HD1      LEU  11   3.620  -2.110  -1.181
   82   3HD1  LEU  11          3HD1      LEU  11   5.157  -1.258  -1.325
   83   1HD2  LEU  11          1HD2      LEU  11   1.796  -1.072  -0.903
   84   2HD2  LEU  11          2HD2      LEU  11   1.498  -0.582  -2.570
   85   3HD2  LEU  11          3HD2      LEU  11   1.504   0.625  -1.285
   86    H    THR  12           H        THR  12   6.108   0.663   1.121
   87    HA   THR  12           HA       THR  12   6.600  -2.154   1.315
   88    HB   THR  12           HB       THR  12   8.338   0.250   1.910
   89    HG1  THR  12           HG1      THR  12   8.784   0.168  -0.129
   90   1HG2  THR  12          1HG2      THR  12  10.032  -1.824   1.353
   91   2HG2  THR  12          2HG2      THR  12   8.833  -2.564   2.415
   92   3HG2  THR  12          3HG2      THR  12   9.721  -1.136   2.948
   93    H    GLY  13           H        GLY  13   6.659   0.556   3.623
   94   1HA   GLY  13          2HA       GLY  13   7.319  -0.822   5.933
   95   2HA   GLY  13          1HA       GLY  13   6.298   0.607   5.893
   96    H    LEU  14           H        LEU  14   4.375  -0.915   4.132
   97    HA   LEU  14           HA       LEU  14   2.566  -1.724   6.093
   98   1HB   LEU  14          2HB       LEU  14   2.522  -1.289   3.380
   99   2HB   LEU  14          1HB       LEU  14   2.281  -3.018   3.477
  100    HG   LEU  14           HG       LEU  14   0.259  -2.773   4.681
  101   1HD1  LEU  14          1HD2      LEU  14  -0.448  -0.268   5.154
  102   2HD1  LEU  14          2HD2      LEU  14   1.299  -0.054   5.257
  103   3HD1  LEU  14          3HD2      LEU  14   0.489  -1.205   6.318
  104   1HD2  LEU  14          1HD1      LEU  14   0.348  -2.122   2.198
  105   2HD2  LEU  14          2HD1      LEU  14   0.130  -0.468   2.773
  106   3HD2  LEU  14          3HD1      LEU  14  -1.093  -1.690   3.123
  107    H    GLY  15           H        GLY  15   5.255  -3.369   4.749
  108   1HA   GLY  15          1HA       GLY  15   5.960  -5.339   6.075
  109   2HA   GLY  15          2HA       GLY  15   4.299  -5.896   5.937
  110    H    CYS  16           H        CYS  16   5.405  -4.382   3.103
  111    HA   CYS  16           HA       CYS  16   6.229  -6.958   1.948
  112   1HB   CYS  16          2HB       CYS  16   4.516  -5.045   0.389
  113   2HB   CYS  16          1HB       CYS  16   4.789  -6.763   0.115
  114    HG   CYS  16           HG       CYS  16   2.808  -5.585   2.178
  115    HA   PRO  17           HA       PRO  17   9.202  -3.640   0.738
  116   1HB   PRO  17          2HB       PRO  17  11.454  -4.857   1.525
  117   2HB   PRO  17          1HB       PRO  17  10.411  -4.011   2.676
  118   1HG   PRO  17          2HG       PRO  17  10.623  -6.944   2.107
  119   2HG   PRO  17          1HG       PRO  17  10.493  -6.115   3.670
  120   1HD   PRO  17          2HD       PRO  17   8.377  -7.293   2.374
  121   2HD   PRO  17          1HD       PRO  17   8.214  -5.955   3.528
  122    H    ASN  18           H        ASN  18   8.339  -6.616  -0.386
  123    HA   ASN  18           HA       ASN  18  10.210  -6.397  -2.638
  124   1HB   ASN  18          2HB       ASN  18  10.295  -8.451  -0.749
  125   2HB   ASN  18          1HB       ASN  18   9.450  -9.153  -2.126
  126   1HD2  ASN  18          2HD2      ASN  18  12.437  -8.151  -0.851
  127   2HD2  ASN  18          1HD2      ASN  18  13.413  -8.507  -2.232
  128    H    CYS  19           H        CYS  19   7.293  -5.733  -2.054
  129    HA   CYS  19           HA       CYS  19   6.111  -7.312  -4.238
  130   1HB   CYS  19          1HB       CYS  19   4.945  -6.171  -1.730
  131   2HB   CYS  19          2HB       CYS  19   3.914  -6.352  -3.146
  132    HG   CYS  19           HG       CYS  19   5.304  -8.947  -2.497
  133    H    ILE  20           H        ILE  20   6.796  -4.124  -3.027
  134    HA   ILE  20           HA       ILE  20   5.159  -2.491  -4.488
  135    HB   ILE  20           HB       ILE  20   6.778  -1.605  -2.904
  136   1HG1  ILE  20          2HG1      ILE  20   7.759  -0.262  -5.337
  137   2HG1  ILE  20          1HG1      ILE  20   6.008  -0.431  -5.256
  138   1HG2  ILE  20          1HG2      ILE  20   8.581  -3.246  -3.790
  139   2HG2  ILE  20          2HG2      ILE  20   9.075  -1.672  -3.165
  140   3HG2  ILE  20          3HG2      ILE  20   8.971  -1.936  -4.906
  141   1HD1  ILE  20          1HD1      ILE  20   6.457   1.648  -4.311
  142   2HD1  ILE  20          2HD1      ILE  20   7.832   1.033  -3.393
  143   3HD1  ILE  20          3HD1      ILE  20   6.193   0.583  -2.928
  144    H    GLU  21           H        GLU  21   8.150  -4.049  -5.593
  145    HA   GLU  21           HA       GLU  21   8.431  -2.908  -8.081
  146   1HB   GLU  21          2HB       GLU  21   8.899  -5.792  -7.302
  147   2HB   GLU  21          1HB       GLU  21   9.509  -5.039  -8.769
  148   1HG   GLU  21          1HG       GLU  21  10.226  -3.504  -6.435
  149   2HG   GLU  21          2HG       GLU  21  10.771  -5.175  -6.300
  150    H    TYR  22           H        TYR  22   6.373  -5.643  -7.161
  151    HA   TYR  22           HA       TYR  22   5.331  -6.014  -9.805
  152   1HB   TYR  22          1HB       TYR  22   4.250  -7.003  -7.156
  153   2HB   TYR  22          2HB       TYR  22   3.776  -7.584  -8.749
  154    HD1  TYR  22           HD1      TYR  22   5.024  -9.254  -9.856
  155    HD2  TYR  22           HD2      TYR  22   6.610  -7.402  -6.370
  156    HE1  TYR  22           HE1      TYR  22   6.815 -10.936  -9.784
  157    HE2  TYR  22           HE2      TYR  22   8.405  -9.078  -6.289
  158    HH   TYR  22           HH       TYR  22   9.552 -10.622  -7.756
  159    H    PHE  23           H        PHE  23   4.407  -4.215  -6.956
  160    HA   PHE  23           HA       PHE  23   1.767  -3.573  -7.789
  161   1HB   PHE  23          1HB       PHE  23   3.665  -2.499  -5.728
  162   2HB   PHE  23          2HB       PHE  23   2.192  -1.612  -6.101
  163    HD1  PHE  23           HD1      PHE  23   2.829  -5.268  -5.840
  164    HD2  PHE  23           HD2      PHE  23   0.771  -1.873  -4.311
  165    HE1  PHE  23           HE1      PHE  23   1.560  -6.727  -4.319
  166    HE2  PHE  23           HE2      PHE  23  -0.504  -3.324  -2.791
  167    HZ   PHE  23           HZ       PHE  23  -0.110  -5.756  -2.791
  168    H    THR  24           H        THR  24   4.827  -1.748  -7.847
  169    HA   THR  24           HA       THR  24   3.867   0.544  -9.112
  170    HB   THR  24           HB       THR  24   6.204   0.972  -9.745
  171    HG1  THR  24           HG1      THR  24   6.757  -1.612  -8.729
  172   1HG2  THR  24          1HG2      THR  24   5.293   0.577  -7.123
  173   2HG2  THR  24          2HG2      THR  24   6.636   1.579  -7.674
  174   3HG2  THR  24          3HG2      THR  24   6.920  -0.098  -7.208
  175    H    SER  25           H        SER  25   4.671  -2.579 -10.412
  176    HA   SER  25           HA       SER  25   5.196  -2.093 -13.048
  177   1HB   SER  25          2HB       SER  25   5.228  -4.347 -12.241
  178   2HB   SER  25          1HB       SER  25   3.518  -4.283 -11.815
  179    HG   SER  25           HG       SER  25   4.276  -3.832 -14.475
  180    H    GLN  26           H        GLN  26   2.174  -1.662 -11.387
  181    HA   GLN  26           HA       GLN  26   0.792  -1.146 -13.925
  182   1HB   GLN  26          2HB       GLN  26  -0.644  -1.012 -11.318
  183   2HB   GLN  26          1HB       GLN  26  -1.207  -1.590 -12.878
  184   1HG   GLN  26          2HG       GLN  26   0.824  -3.093 -11.264
  185   2HG   GLN  26          1HG       GLN  26  -0.911  -3.301 -11.026
  186   1HE2  GLN  26          2HE2      GLN  26   0.629  -5.421 -11.742
  187   2HE2  GLN  26          1HE2      GLN  26   0.270  -5.891 -13.365
  188    H    GLY  27           H        GLY  27   1.079   0.302 -10.680
  189   1HA   GLY  27          1HA       GLY  27   1.863   2.825 -11.341
  190   2HA   GLY  27          2HA       GLY  27   0.125   2.855 -11.601
  191    H    LEU  28           H        LEU  28   2.074   1.225  -9.126
  192    HA   LEU  28           HA       LEU  28   0.371   2.438  -7.085
  193   1HB   LEU  28          1HB       LEU  28   1.660  -0.117  -7.418
  194   2HB   LEU  28          2HB       LEU  28   2.130   0.600  -5.890
  195    HG   LEU  28           HG       LEU  28   0.106  -0.938  -5.867
  196   1HD1  LEU  28          1HD2      LEU  28   0.216   0.175  -3.901
  197   2HD1  LEU  28          2HD2      LEU  28  -1.224   0.968  -4.540
  198   3HD1  LEU  28          3HD2      LEU  28   0.349   1.754  -4.674
  199   1HD2  LEU  28          1HD1      LEU  28  -1.923  -0.267  -6.740
  200   2HD2  LEU  28          2HD1      LEU  28  -0.792   0.241  -7.994
  201   3HD2  LEU  28          3HD1      LEU  28  -1.434   1.424  -6.854
  202    H    GLN  29           H        GLN  29   2.294   4.105  -8.284
  203    HA   GLN  29           HA       GLN  29   4.367   4.386  -6.227
  204   1HB   GLN  29          2HB       GLN  29   5.416   5.993  -7.749
  205   2HB   GLN  29          1HB       GLN  29   5.147   4.450  -8.545
  206   1HG   GLN  29          1HG       GLN  29   3.666   5.305 -10.012
  207   2HG   GLN  29          2HG       GLN  29   3.005   6.449  -8.846
  208   1HE2  GLN  29          2HE2      GLN  29   3.273   8.447  -9.497
  209   2HE2  GLN  29          1HE2      GLN  29   4.662   9.086 -10.300
  210    H    SER  30           H        SER  30   1.480   5.814  -7.500
  211    HA   SER  30           HA       SER  30   1.693   8.024  -5.568
  212   1HB   SER  30          2HB       SER  30  -0.359   8.828  -7.083
  213   2HB   SER  30          1HB       SER  30   1.314   9.174  -7.525
  214    HG   SER  30           HG       SER  30   0.004   8.252  -9.233
  215    H    ILE  31           H        ILE  31   0.707   7.425  -3.734
  216    HA   ILE  31           HA       ILE  31  -1.011   5.389  -3.284
  217    HB   ILE  31           HB       ILE  31   0.037   7.059  -1.612
  218   1HG1  ILE  31          1HG1      ILE  31  -2.263   6.504  -0.176
  219   2HG1  ILE  31          2HG1      ILE  31  -2.281   5.297  -1.460
  220   1HG2  ILE  31          1HG2      ILE  31  -1.170   9.048  -2.358
  221   2HG2  ILE  31          2HG2      ILE  31  -1.509   8.687  -0.665
  222   3HG2  ILE  31          3HG2      ILE  31  -2.697   8.289  -1.905
  223   1HD1  ILE  31          1HD1      ILE  31  -0.905   5.144   0.920
  224   2HD1  ILE  31          2HD1      ILE  31   0.335   5.557  -0.263
  225   3HD1  ILE  31          3HD1      ILE  31  -0.667   4.127  -0.500
  226    H    TYR  32           H        TYR  32  -1.855   8.520  -4.588
  227    HA   TYR  32           HA       TYR  32  -4.624   8.461  -4.309
  228   1HB   TYR  32          2HB       TYR  32  -3.110  10.343  -5.195
  229   2HB   TYR  32          1HB       TYR  32  -3.241   9.544  -6.759
  230    HD1  TYR  32           HD1      TYR  32  -4.930  11.612  -4.296
  231    HD2  TYR  32           HD2      TYR  32  -5.428   9.409  -7.902
  232    HE1  TYR  32           HE1      TYR  32  -7.046  12.792  -4.720
  233    HE2  TYR  32           HE2      TYR  32  -7.544  10.582  -8.336
  234    HH   TYR  32           HH       TYR  32  -8.422  13.305  -7.111
  235    H    HIS  33           H        HIS  33  -2.563   6.548  -6.296
  236    HA   HIS  33           HA       HIS  33  -4.623   5.837  -8.189
  237   1HB   HIS  33          2HB       HIS  33  -1.939   5.871  -8.382
  238   2HB   HIS  33          1HB       HIS  33  -2.175   4.176  -7.967
  239    HD1  HIS  33           HD1      HIS  33  -3.875   6.566 -10.405
  240    HD2  HIS  33           HD2      HIS  33  -2.324   2.715 -10.225
  241    HE1  HIS  33           HE1      HIS  33  -4.230   5.590 -12.696
  242    HE2  HIS  33           HE2      HIS  33  -3.284   3.259 -12.565
  243    H    LEU  34           H        LEU  34  -3.721   4.776  -5.072
  244    HA   LEU  34           HA       LEU  34  -5.131   2.230  -5.509
  245   1HB   LEU  34          2HB       LEU  34  -3.964   1.719  -3.202
  246   2HB   LEU  34          1HB       LEU  34  -3.146   1.478  -4.729
  247    HG   LEU  34           HG       LEU  34  -2.818   4.009  -3.121
  248   1HD1  LEU  34          1HD1      LEU  34  -1.848   1.370  -2.524
  249   2HD1  LEU  34          2HD1      LEU  34  -1.635   2.871  -1.626
  250   3HD1  LEU  34          3HD1      LEU  34  -0.506   2.445  -2.911
  251   1HD2  LEU  34          1HD2      LEU  34  -1.802   4.608  -5.023
  252   2HD2  LEU  34          2HD2      LEU  34  -1.802   2.959  -5.647
  253   3HD2  LEU  34          3HD2      LEU  34  -0.527   3.490  -4.549
  254    H    GLN  35           H        GLN  35  -5.888   5.157  -4.576
  255    HA   GLN  35           HA       GLN  35  -6.886   5.055  -1.997
  256   1HB   GLN  35          1HB       GLN  35  -6.809   7.008  -3.715
  257   2HB   GLN  35          2HB       GLN  35  -8.402   6.432  -4.190
  258   1HG   GLN  35          1HG       GLN  35  -9.362   7.398  -2.444
  259   2HG   GLN  35          2HG       GLN  35  -8.198   6.689  -1.326
  260   1HE2  GLN  35          2HE2      GLN  35  -6.908   8.036  -0.300
  261   2HE2  GLN  35          1HE2      GLN  35  -6.544   9.655  -0.775
  262    H    ASN  36           H        ASN  36  -8.262   3.825  -4.986
  263    HA   ASN  36           HA       ASN  36 -10.635   2.901  -3.539
  264   1HB   ASN  36          1HB       ASN  36 -10.010   3.489  -6.381
  265   2HB   ASN  36          2HB       ASN  36 -11.146   2.178  -6.078
  266   1HD2  ASN  36          2HD2      ASN  36 -10.659   5.533  -6.184
  267   2HD2  ASN  36          1HD2      ASN  36 -12.239   6.017  -5.685
  268    H    LEU  37           H        LEU  37  -7.686   1.772  -4.920
  269    HA   LEU  37           HA       LEU  37  -8.173  -0.824  -5.617
  270   1HB   LEU  37          2HB       LEU  37  -5.974   0.418  -5.658
  271   2HB   LEU  37          1HB       LEU  37  -5.828   0.066  -3.950
  272    HG   LEU  37           HG       LEU  37  -5.444  -2.198  -4.304
  273   1HD1  LEU  37          1HD1      LEU  37  -6.978  -1.784  -6.799
  274   2HD1  LEU  37          2HD1      LEU  37  -7.033  -3.110  -5.636
  275   3HD1  LEU  37          3HD1      LEU  37  -5.729  -3.029  -6.819
  276   1HD2  LEU  37          1HD2      LEU  37  -3.718  -0.527  -5.293
  277   2HD2  LEU  37          2HD2      LEU  37  -4.231  -1.198  -6.840
  278   3HD2  LEU  37          3HD2      LEU  37  -3.545  -2.254  -5.606
  279    H    THR  38           H        THR  38  -8.636  -2.702  -4.609
  280    HA   THR  38           HA       THR  38  -8.630  -2.729  -1.669
  281    HB   THR  38           HB       THR  38 -10.761  -4.320  -2.919
  282    HG1  THR  38           HG1      THR  38 -12.067  -2.484  -3.336
  283   1HG2  THR  38          1HG2      THR  38 -10.923  -4.151  -0.618
  284   2HG2  THR  38          2HG2      THR  38 -12.122  -2.999  -1.208
  285   3HG2  THR  38          3HG2      THR  38 -10.562  -2.425  -0.616
  286    H    ILE  39           H        ILE  39  -9.213  -5.116  -0.965
  287    HA   ILE  39           HA       ILE  39  -7.105  -6.787  -1.758
  288    HB   ILE  39           HB       ILE  39  -8.318  -6.998   0.394
  289   1HG1  ILE  39          1HG1      ILE  39  -8.546  -9.582   0.237
  290   2HG1  ILE  39          2HG1      ILE  39  -7.989  -9.370  -1.420
  291   1HG2  ILE  39          1HG2      ILE  39 -10.586  -6.699  -0.532
  292   2HG2  ILE  39          2HG2      ILE  39 -10.447  -8.110   0.518
  293   3HG2  ILE  39          3HG2      ILE  39 -10.480  -8.314  -1.234
  294   1HD1  ILE  39          1HD1      ILE  39  -6.437  -9.616   0.882
  295   2HD1  ILE  39          2HD1      ILE  39  -6.290  -7.931   0.383
  296   3HD1  ILE  39          3HD1      ILE  39  -5.892  -9.224  -0.748
  297    H    GLU  40           H        GLU  40 -10.371  -6.378  -2.849
  298    HA   GLU  40           HA       GLU  40 -10.731  -8.680  -4.362
  299   1HB   GLU  40          1HB       GLU  40 -11.746  -5.896  -4.952
  300   2HB   GLU  40          2HB       GLU  40 -12.377  -7.381  -5.650
  301   1HG   GLU  40          2HG       GLU  40 -12.307  -7.151  -2.693
  302   2HG   GLU  40          1HG       GLU  40 -13.511  -6.213  -3.575
  303    H    ASP  41           H        ASP  41  -9.281  -5.578  -5.276
  304    HA   ASP  41           HA       ASP  41  -8.615  -6.558  -7.922
  305   1HB   ASP  41          2HB       ASP  41  -8.631  -3.959  -6.550
  306   2HB   ASP  41          1HB       ASP  41  -7.274  -4.179  -7.653
  307    H    LEU  42           H        LEU  42  -7.107  -6.197  -4.827
  308    HA   LEU  42           HA       LEU  42  -4.419  -6.108  -5.397
  309   1HB   LEU  42          2HB       LEU  42  -6.020  -7.407  -3.235
  310   2HB   LEU  42          1HB       LEU  42  -4.302  -7.717  -3.311
  311    HG   LEU  42           HG       LEU  42  -5.538  -5.648  -1.956
  312   1HD1  LEU  42          1HD2      LEU  42  -3.380  -6.657  -1.460
  313   2HD1  LEU  42          2HD2      LEU  42  -3.274  -4.898  -1.505
  314   3HD1  LEU  42          3HD2      LEU  42  -2.675  -5.851  -2.862
  315   1HD2  LEU  42          1HD1      LEU  42  -3.965  -4.231  -4.041
  316   2HD2  LEU  42          2HD1      LEU  42  -5.234  -3.632  -2.974
  317   3HD2  LEU  42          3HD1      LEU  42  -5.653  -4.612  -4.377
  318    H    GLY  43           H        GLY  43  -6.417  -9.044  -5.067
  319   1HA   GLY  43          1HA       GLY  43  -4.354 -10.825  -5.873
  320   2HA   GLY  43          2HA       GLY  43  -6.068 -11.197  -5.793
  321    H    ALA  44           H        ALA  44  -6.120  -8.601  -7.674
  322    HA   ALA  44           HA       ALA  44  -6.392 -10.121 -10.091
  323   1HB   ALA  44          1HB       ALA  44  -6.310  -7.207 -10.356
  324   2HB   ALA  44          2HB       ALA  44  -7.488  -7.794  -9.183
  325   3HB   ALA  44          3HB       ALA  44  -7.551  -8.359 -10.852
  326    H    LEU  45           H        LEU  45  -4.120  -7.730  -8.822
  327    HA   LEU  45           HA       LEU  45  -2.502  -7.253 -10.967
  328   1HB   LEU  45          2HB       LEU  45  -1.966  -7.553  -8.040
  329   2HB   LEU  45          1HB       LEU  45  -0.649  -7.236  -9.146
  330    HG   LEU  45           HG       LEU  45  -1.705  -5.152  -9.843
  331   1HD1  LEU  45          1HD2      LEU  45  -3.693  -4.344  -8.536
  332   2HD1  LEU  45          2HD2      LEU  45  -3.887  -5.999  -7.958
  333   3HD1  LEU  45          3HD2      LEU  45  -4.016  -5.645  -9.681
  334   1HD2  LEU  45          1HD1      LEU  45  -0.207  -4.891  -8.045
  335   2HD2  LEU  45          2HD1      LEU  45  -1.356  -5.572  -6.892
  336   3HD2  LEU  45          3HD1      LEU  45  -1.650  -3.982  -7.596
  337    H    LYS  46           H        LYS  46  -2.772 -10.136  -9.097
  338    HA   LYS  46           HA       LYS  46  -2.164 -12.285  -9.654
  339   1HB   LYS  46          1HB       LYS  46  -1.824 -11.614 -12.029
  340   2HB   LYS  46          2HB       LYS  46  -0.179 -11.136 -11.615
  341   1HG   LYS  46          2HG       LYS  46   0.550 -13.208 -11.721
  342   2HG   LYS  46          1HG       LYS  46  -0.748 -13.780 -10.672
  343   1HD   LYS  46          1HD       LYS  46  -2.173 -13.442 -12.888
  344   2HD   LYS  46          2HD       LYS  46  -0.597 -13.684 -13.643
  345   1HE   LYS  46          1HE       LYS  46  -1.789 -15.561 -11.610
  346   2HE   LYS  46          2HE       LYS  46  -1.963 -15.765 -13.354
  347   1HZ   LYS  46          1HZ       LYS  46   0.486 -15.821 -13.501
  348   2HZ   LYS  46          2HZ       LYS  46  -0.149 -17.096 -12.587
  349   3HZ   LYS  46          3HZ       LYS  46   0.573 -15.778 -11.813
  350    H    ILE  47           H        ILE  47  -0.862 -10.197  -7.888
  351    HA   ILE  47           HA       ILE  47   1.824 -11.227  -7.517
  352    HB   ILE  47           HB       ILE  47   0.470  -9.358  -5.601
  353   1HG1  ILE  47          1HG1      ILE  47   1.723  -8.574  -8.244
  354   2HG1  ILE  47          2HG1      ILE  47   0.012  -8.470  -7.847
  355   1HG2  ILE  47          1HG2      ILE  47   2.712 -10.266  -5.103
  356   2HG2  ILE  47          2HG2      ILE  47   2.694  -8.510  -5.262
  357   3HG2  ILE  47          3HG2      ILE  47   3.315  -9.507  -6.577
  358   1HD1  ILE  47          1HD1      ILE  47   1.382  -6.339  -7.729
  359   2HD1  ILE  47          2HD1      ILE  47   2.085  -7.014  -6.260
  360   3HD1  ILE  47          3HD1      ILE  47   0.349  -6.715  -6.350
  361    HA   PRO  48           HA       PRO  48   0.970 -14.583  -4.758
  362   1HB   PRO  48          2HB       PRO  48   2.901 -13.682  -2.839
  363   2HB   PRO  48          1HB       PRO  48   3.062 -14.986  -4.014
  364   1HG   PRO  48          2HG       PRO  48   4.015 -12.197  -4.157
  365   2HG   PRO  48          1HG       PRO  48   4.621 -13.639  -4.989
  366   1HD   PRO  48          2HD       PRO  48   3.262 -11.717  -6.289
  367   2HD   PRO  48          1HD       PRO  48   3.098 -13.432  -6.721
  368    H    GLU  49           H        GLU  49  -0.234 -14.944  -2.929
  369    HA   GLU  49           HA       GLU  49  -1.422 -12.585  -1.712
  370   1HB   GLU  49          1HB       GLU  49  -3.136 -14.038  -0.911
  371   2HB   GLU  49          2HB       GLU  49  -2.790 -14.518  -2.567
  372   1HG   GLU  49          1HG       GLU  49  -1.230 -16.265  -1.526
  373   2HG   GLU  49          2HG       GLU  49  -2.080 -15.921  -0.020
  374    H    GLN  50           H        GLN  50   1.232 -12.931  -0.939
  375    HA   GLN  50           HA       GLN  50   1.467 -14.327   1.525
  376   1HB   GLN  50          1HB       GLN  50   3.130 -12.175   0.220
  377   2HB   GLN  50          2HB       GLN  50   3.551 -12.879   1.775
  378   1HG   GLN  50          2HG       GLN  50   4.044 -14.941   0.857
  379   2HG   GLN  50          1HG       GLN  50   3.080 -14.642  -0.588
  380   1HE2  GLN  50          2HE2      GLN  50   5.938 -15.420  -0.086
  381   2HE2  GLN  50          1HE2      GLN  50   6.854 -14.313  -1.040
  382    H    TYR  51           H        TYR  51   0.875 -10.939   0.679
  383    HA   TYR  51           HA       TYR  51  -0.245 -10.529   3.351
  384   1HB   TYR  51          1HB       TYR  51   1.426  -8.329   2.205
  385   2HB   TYR  51          2HB       TYR  51   1.041  -8.681   3.886
  386    HD1  TYR  51           HD1      TYR  51   2.275 -10.456   5.094
  387    HD2  TYR  51           HD2      TYR  51   3.348  -9.281   1.149
  388    HE1  TYR  51           HE1      TYR  51   4.459 -11.553   5.368
  389    HE2  TYR  51           HE2      TYR  51   5.535 -10.375   1.411
  390    HH   TYR  51           HH       TYR  51   6.221 -12.569   3.777
  391    H    ARG  52           H        ARG  52  -1.388 -10.899   0.698
  392    HA   ARG  52           HA       ARG  52  -2.185  -8.647  -0.642
  393   1HB   ARG  52          2HB       ARG  52  -2.847 -11.299  -0.723
  394   2HB   ARG  52          1HB       ARG  52  -4.356 -10.582  -0.182
  395   1HG   ARG  52          2HG       ARG  52  -4.524  -9.242  -2.131
  396   2HG   ARG  52          1HG       ARG  52  -2.872  -9.629  -2.616
  397   1HD   ARG  52          2HD       ARG  52  -4.447 -10.903  -3.940
  398   2HD   ARG  52          1HD       ARG  52  -3.523 -11.981  -2.896
  399    HE   ARG  52           HE       ARG  52  -5.869 -11.296  -1.556
  400   1HH1  ARG  52          2HH1      ARG  52  -4.879 -13.049  -4.398
  401   2HH1  ARG  52          1HH1      ARG  52  -6.227 -14.135  -4.357
  402   1HH2  ARG  52          1HH2      ARG  52  -7.648 -12.719  -1.491
  403   2HH2  ARG  52          2HH2      ARG  52  -7.804 -13.947  -2.703
  404    H    MET  53           H        MET  53  -3.815 -10.103   2.173
  405    HA   MET  53           HA       MET  53  -5.859  -8.204   2.387
  406   1HB   MET  53          1HB       MET  53  -4.582  -9.878   4.557
  407   2HB   MET  53          2HB       MET  53  -6.108  -9.020   4.712
  408   1HG   MET  53          2HG       MET  53  -6.801 -10.402   2.631
  409   2HG   MET  53          1HG       MET  53  -5.458 -11.443   3.100
  410   1HE   MET  53          1HE       MET  53  -9.325 -12.543   4.132
  411   2HE   MET  53          2HE       MET  53  -8.529 -11.877   2.706
  412   3HE   MET  53          3HE       MET  53  -9.343 -10.804   3.843
  413    H    THR  54           H        THR  54  -2.803  -8.409   4.222
  414    HA   THR  54           HA       THR  54  -3.034  -6.180   5.793
  415    HB   THR  54           HB       THR  54  -0.570  -7.235   4.396
  416    HG1  THR  54           HG1      THR  54  -0.227  -8.143   6.500
  417   1HG2  THR  54          1HG2      THR  54   0.773  -6.113   6.035
  418   2HG2  THR  54          2HG2      THR  54  -0.662  -5.419   6.789
  419   3HG2  THR  54          3HG2      THR  54  -0.195  -4.926   5.161
  420    H    ILE  55           H        ILE  55  -1.777  -6.285   2.468
  421    HA   ILE  55           HA       ILE  55  -1.209  -3.560   2.215
  422    HB   ILE  55           HB       ILE  55  -2.138  -5.375  -0.005
  423   1HG1  ILE  55          1HG1      ILE  55   0.751  -4.885   0.473
  424   2HG1  ILE  55          2HG1      ILE  55  -0.059  -5.957   1.610
  425   1HG2  ILE  55          1HG2      ILE  55  -0.143  -3.554  -0.822
  426   2HG2  ILE  55          2HG2      ILE  55  -1.347  -2.638   0.082
  427   3HG2  ILE  55          3HG2      ILE  55  -1.835  -3.605  -1.308
  428   1HD1  ILE  55          1HD1      ILE  55  -0.922  -6.916  -0.792
  429   2HD1  ILE  55          2HD1      ILE  55   0.427  -7.558   0.145
  430   3HD1  ILE  55          3HD1      ILE  55   0.726  -6.405  -1.157
  431    H    TRP  56           H        TRP  56  -4.187  -5.374   1.604
  432    HA   TRP  56           HA       TRP  56  -5.685  -3.249   0.523
  433   1HB   TRP  56          1HB       TRP  56  -6.565  -5.411   0.202
  434   2HB   TRP  56          2HB       TRP  56  -6.403  -5.828   1.902
  435    HD1  TRP  56           HD1      TRP  56  -8.235  -2.712   0.526
  436    HE1  TRP  56           HE1      TRP  56 -10.693  -2.842   1.297
  437    HE3  TRP  56           HE3      TRP  56  -8.150  -7.306   2.754
  438    HZ2  TRP  56           HZ2      TRP  56 -12.358  -4.633   2.656
  439    HZ3  TRP  56           HZ3      TRP  56 -10.227  -8.161   3.773
  440    HH2  TRP  56           HH2      TRP  56 -12.289  -6.850   3.724
  441    H    ARG  57           H        ARG  57  -5.356  -4.453   3.848
  442    HA   ARG  57           HA       ARG  57  -7.144  -2.841   5.166
  443   1HB   ARG  57          2HB       ARG  57  -4.384  -3.500   6.202
  444   2HB   ARG  57          1HB       ARG  57  -5.820  -3.152   7.157
  445   1HG   ARG  57          1HG       ARG  57  -6.224  -5.371   5.332
  446   2HG   ARG  57          2HG       ARG  57  -4.889  -5.646   6.453
  447   1HD   ARG  57          2HD       ARG  57  -7.318  -4.500   7.650
  448   2HD   ARG  57          1HD       ARG  57  -7.494  -6.137   7.019
  449    HE   ARG  57           HE       ARG  57  -6.006  -5.325   9.336
  450   1HH1  ARG  57          1HH2      ARG  57  -6.325  -7.736   6.843
  451   2HH1  ARG  57          2HH2      ARG  57  -5.570  -8.985   7.774
  452   1HH2  ARG  57          1HH1      ARG  57  -5.010  -6.963  10.571
  453   2HH2  ARG  57          2HH1      ARG  57  -4.822  -8.546   9.895
  454    H    GLY  58           H        GLY  58  -3.690  -2.090   4.736
  455   1HA   GLY  58          1HA       GLY  58  -3.800   0.542   5.672
  456   2HA   GLY  58          2HA       GLY  58  -2.587  -0.089   4.565
  457    H    LEU  59           H        LEU  59  -4.599  -0.838   2.562
  458    HA   LEU  59           HA       LEU  59  -4.694   1.641   1.161
  459   1HB   LEU  59          1HB       LEU  59  -5.021  -1.106   0.538
  460   2HB   LEU  59          2HB       LEU  59  -6.443  -0.255  -0.036
  461    HG   LEU  59           HG       LEU  59  -5.114   1.188  -1.415
  462   1HD1  LEU  59          1HD2      LEU  59  -3.060   0.529   0.448
  463   2HD1  LEU  59          2HD2      LEU  59  -3.066   1.768  -0.806
  464   3HD1  LEU  59          3HD2      LEU  59  -2.503   0.140  -1.179
  465   1HD2  LEU  59          1HD1      LEU  59  -4.180  -0.382  -2.963
  466   2HD2  LEU  59          2HD1      LEU  59  -5.605  -1.122  -2.234
  467   3HD2  LEU  59          3HD1      LEU  59  -3.992  -1.598  -1.700
  468    H    GLN  60           H        GLN  60  -6.844  -0.053   3.267
  469    HA   GLN  60           HA       GLN  60  -9.229   1.363   2.505
  470   1HB   GLN  60          2HB       GLN  60  -8.476  -0.167   5.002
  471   2HB   GLN  60          1HB       GLN  60 -10.040   0.599   4.777
  472   1HG   GLN  60          1HG       GLN  60 -10.500  -0.814   2.874
  473   2HG   GLN  60          2HG       GLN  60  -8.895  -1.532   2.989
  474   1HE2  GLN  60          1HE2      GLN  60  -8.744  -3.369   4.054
  475   2HE2  GLN  60          2HE2      GLN  60  -9.879  -3.972   5.209
  476    H    ASP  61           H        ASP  61  -6.338   2.160   4.070
  477    HA   ASP  61           HA       ASP  61  -7.384   4.194   5.803
  478   1HB   ASP  61          2HB       ASP  61  -5.047   2.729   5.703
  479   2HB   ASP  61          1HB       ASP  61  -4.529   4.311   5.123
  480    H    LEU  62           H        LEU  62  -5.872   4.033   2.605
  481    HA   LEU  62           HA       LEU  62  -5.328   6.726   2.193
  482   1HB   LEU  62          1HB       LEU  62  -6.533   5.305  -0.106
  483   2HB   LEU  62          2HB       LEU  62  -5.068   6.256  -0.020
  484    HG   LEU  62           HG       LEU  62  -5.436   3.371   0.727
  485   1HD1  LEU  62          1HD1      LEU  62  -4.821   3.105  -1.386
  486   2HD1  LEU  62          2HD1      LEU  62  -3.234   3.700  -0.907
  487   3HD1  LEU  62          3HD1      LEU  62  -4.432   4.816  -1.562
  488   1HD2  LEU  62          1HD2      LEU  62  -3.861   5.025   2.177
  489   2HD2  LEU  62          2HD2      LEU  62  -2.748   4.497   0.914
  490   3HD2  LEU  62          3HD2      LEU  62  -3.559   3.303   1.928
  491    H    LYS  63           H        LYS  63  -8.356   4.978   2.012
  492    HA   LYS  63           HA       LYS  63  -9.959   6.862   0.749
  493   1HB   LYS  63          2HB       LYS  63 -10.743   4.612   1.184
  494   2HB   LYS  63          1HB       LYS  63 -10.648   4.873   2.919
  495   1HG   LYS  63          2HG       LYS  63 -12.946   4.977   2.124
  496   2HG   LYS  63          1HG       LYS  63 -12.426   6.529   2.787
  497   1HD   LYS  63          1HD       LYS  63 -11.907   6.271  -0.068
  498   2HD   LYS  63          2HD       LYS  63 -13.620   6.140   0.340
  499   1HE   LYS  63          2HE       LYS  63 -12.893   8.249   1.871
  500   2HE   LYS  63          1HE       LYS  63 -11.803   8.448   0.500
  501   1HZ   LYS  63          1HZ       LYS  63 -14.711   8.034   0.147
  502   2HZ   LYS  63          2HZ       LYS  63 -13.592   8.620  -0.980
  503   3HZ   LYS  63          3HZ       LYS  63 -14.040   9.575   0.342
  504    H    GLN  64           H        GLN  64  -9.790   6.321   4.272
  505    HA   GLN  64           HA       GLN  64 -11.263   8.382   5.203
  506   1HB   GLN  64          2HB       GLN  64  -8.634   7.377   6.298
  507   2HB   GLN  64          1HB       GLN  64  -9.706   8.455   7.179
  508   1HG   GLN  64          1HG       GLN  64 -11.462   6.778   7.133
  509   2HG   GLN  64          2HG       GLN  64 -10.425   5.701   6.200
  510   1HE2  GLN  64          2HE2      GLN  64  -9.793   4.097   7.439
  511   2HE2  GLN  64          1HE2      GLN  64  -9.233   4.224   9.069
  512    H    GLY  65           H        GLY  65  -7.756   8.668   4.571
  513   1HA   GLY  65          2HA       GLY  65  -7.734  11.037   3.219
  514   2HA   GLY  65          1HA       GLY  65  -7.826  11.526   4.905
  515    H    HIS  66           H        HIS  66  -5.826  10.297   2.393
  516    HA   HIS  66           HA       HIS  66  -3.537  10.308   4.246
  517   1HB   HIS  66          1HB       HIS  66  -4.189   8.062   3.223
  518   2HB   HIS  66          2HB       HIS  66  -3.633   8.722   1.689
  519    HD1  HIS  66           HD1      HIS  66  -1.404   7.781   1.206
  520    HD2  HIS  66           HD2      HIS  66  -1.853   8.691   5.236
  521    HE1  HIS  66           HE1      HIS  66   0.815   7.255   2.265
  522    HE2  HIS  66           HE2      HIS  66   0.521   7.813   4.704
  523    H    ASP  67           H        ASP  67  -2.969  12.405   3.912
  524    HA   ASP  67           HA       ASP  67  -1.171  13.073   1.977
  525   1HB   ASP  67          2HB       ASP  67  -2.504  14.681   0.553
  526   2HB   ASP  67          1HB       ASP  67  -2.799  12.973   0.235
  527    H    TYR  68           HN       TYR  68  -0.265  15.025   2.337
  528    HA   TYR  68           HA       TYR  68  -0.295  16.277   4.706
  529   1HB   TYR  68          1HB       TYR  68   1.364  16.876   3.123
  530   2HB   TYR  68          2HB       TYR  68   0.165  17.409   1.951
  531    HD1  TYR  68           HD1      TYR  68   0.191  18.313   5.543
  532    HD2  TYR  68           HD2      TYR  68   0.987  19.608   1.569
  533    HE1  TYR  68           HE1      TYR  68   0.446  20.622   6.351
  534    HE2  TYR  68           HE2      TYR  68   1.244  21.920   2.366
  535    HH   TYR  68           HH       TYR  68   1.468  22.703   5.696
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1   2.901  19.817  -8.641
    2   2H    TYR   1          2H        TYR   1   4.515  19.307  -8.928
    3   3H    TYR   1          3H        TYR   1   4.038  19.807  -7.357
    4    HA   TYR   1           HA       TYR   1   2.564  17.973  -7.172
    5   1HB   TYR   1          1HB       TYR   1   2.594  18.032  -9.911
    6   2HB   TYR   1          2HB       TYR   1   3.606  16.630  -9.579
    7    HD1  TYR   1           HD1      TYR   1   0.263  18.096  -8.913
    8    HD2  TYR   1           HD2      TYR   1   2.649  14.574  -8.956
    9    HE1  TYR   1           HE1      TYR   1  -1.752  16.734  -8.553
   10    HE2  TYR   1           HE2      TYR   1   0.640  13.202  -8.596
   11    HH   TYR   1           HH       TYR   1  -1.800  13.378  -8.960
   12    H    HIS   2           H        HIS   2   4.601  18.371  -5.750
   13    HA   HIS   2           HA       HIS   2   6.730  16.458  -6.313
   14   1HB   HIS   2          1HB       HIS   2   6.572  18.248  -3.896
   15   2HB   HIS   2          2HB       HIS   2   8.002  17.556  -4.658
   16    HD1  HIS   2           HD1      HIS   2   7.719  18.448  -7.519
   17    HD2  HIS   2           HD2      HIS   2   6.817  20.913  -4.297
   18    HE1  HIS   2           HE1      HIS   2   7.897  20.796  -8.399
   19    HE2  HIS   2           HE2      HIS   2   7.347  22.273  -6.433
   20    H    ALA   3           H        ALA   3   5.478  14.553  -6.017
   21    HA   ALA   3           HA       ALA   3   5.176  13.837  -3.187
   22   1HB   ALA   3          1HB       ALA   3   3.007  14.268  -4.883
   23   2HB   ALA   3          2HB       ALA   3   2.988  13.465  -3.313
   24   3HB   ALA   3          3HB       ALA   3   3.173  12.515  -4.787
   25    H    ASP   4           H        ASP   4   5.593  11.677  -2.699
   26    HA   ASP   4           HA       ASP   4   5.855   9.552  -4.441
   27   1HB   ASP   4          2HB       ASP   4   7.920  11.431  -4.873
   28   2HB   ASP   4          1HB       ASP   4   8.656  10.074  -4.024
   29    HA   PRO   5           HA       PRO   5   8.636   8.549  -0.539
   30   1HB   PRO   5          1HB       PRO   5   8.637  10.646   1.287
   31   2HB   PRO   5          2HB       PRO   5   9.968  10.228   0.208
   32   1HG   PRO   5          1HG       PRO   5   7.860  12.319  -0.099
   33   2HG   PRO   5          2HG       PRO   5   9.579  12.384  -0.529
   34   1HD   PRO   5          1HD       PRO   5   7.695  12.035  -2.395
   35   2HD   PRO   5          2HD       PRO   5   9.257  11.198  -2.501
   36    H    SER   6           H        SER   6   5.734  10.456  -0.558
   37    HA   SER   6           HA       SER   6   4.777   9.412   1.963
   38   1HB   SER   6          1HB       SER   6   4.035  11.603   1.553
   39   2HB   SER   6          2HB       SER   6   3.626  11.248  -0.125
   40    HG   SER   6           HG       SER   6   1.868  11.385   1.557
   41    H    LEU   7           H        LEU   7   5.203   7.873  -0.817
   42    HA   LEU   7           HA       LEU   7   2.686   6.363  -0.579
   43   1HB   LEU   7          1HB       LEU   7   2.657   7.425  -2.705
   44   2HB   LEU   7          2HB       LEU   7   4.329   7.008  -3.017
   45    HG   LEU   7           HG       LEU   7   2.507   5.705  -4.267
   46   1HD1  LEU   7          1HD1      LEU   7   4.041   4.111  -4.639
   47   2HD1  LEU   7          2HD1      LEU   7   4.180   3.701  -2.930
   48   3HD1  LEU   7          3HD1      LEU   7   5.054   5.089  -3.577
   49   1HD2  LEU   7          1HD2      LEU   7   1.668   3.721  -3.038
   50   2HD2  LEU   7          2HD2      LEU   7   1.010   5.247  -2.449
   51   3HD2  LEU   7          3HD2      LEU   7   2.284   4.431  -1.546
   52    H    VAL   8           H        VAL   8   5.988   5.976  -1.873
   53    HA   VAL   8           HA       VAL   8   6.109   3.204  -1.655
   54    HB   VAL   8           HB       VAL   8   8.557   3.442  -1.712
   55   1HG1  VAL   8          1HG1      VAL   8   7.478   5.500  -3.593
   56   2HG1  VAL   8          2HG1      VAL   8   6.953   3.820  -3.719
   57   3HG1  VAL   8          3HG1      VAL   8   8.662   4.226  -3.886
   58   1HG2  VAL   8          1HG2      VAL   8   9.619   5.602  -1.683
   59   2HG2  VAL   8          2HG2      VAL   8   8.674   5.411  -0.205
   60   3HG2  VAL   8          3HG2      VAL   8   8.059   6.410  -1.522
   61    H    SER   9           H        SER   9   6.778   5.707   0.724
   62    HA   SER   9           HA       SER   9   8.010   4.073   2.660
   63   1HB   SER   9          2HB       SER   9   7.617   5.888   4.208
   64   2HB   SER   9          1HB       SER   9   8.044   6.579   2.643
   65    HG   SER   9           HG       SER   9   6.186   7.536   2.625
   66    H    PHE  10           H        PHE  10   4.706   4.483   1.733
   67    HA   PHE  10           HA       PHE  10   3.739   3.179   4.163
   68   1HB   PHE  10          2HB       PHE  10   2.443   4.684   1.924
   69   2HB   PHE  10          1HB       PHE  10   1.477   3.549   2.861
   70    HD1  PHE  10           HD1      PHE  10   0.036   4.964   4.025
   71    HD2  PHE  10           HD2      PHE  10   4.222   5.723   4.078
   72    HE1  PHE  10           HE1      PHE  10  -0.300   6.676   5.760
   73    HE2  PHE  10           HE2      PHE  10   3.894   7.437   5.812
   74    HZ   PHE  10           HZ       PHE  10   1.630   7.916   6.655
   75    H    LEU  11           H        LEU  11   3.639   2.727   0.636
   76    HA   LEU  11           HA       LEU  11   2.282   0.351   0.456
   77   1HB   LEU  11          2HB       LEU  11   3.268   1.797  -1.402
   78   2HB   LEU  11          1HB       LEU  11   4.768   0.930  -1.138
   79    HG   LEU  11           HG       LEU  11   3.222   0.156  -3.045
   80   1HD1  LEU  11          1HD1      LEU  11   3.629  -2.336  -1.908
   81   2HD1  LEU  11          2HD1      LEU  11   4.862  -1.313  -1.173
   82   3HD1  LEU  11          3HD1      LEU  11   4.757  -1.443  -2.927
   83   1HD2  LEU  11          1HD2      LEU  11   1.403  -1.240  -2.539
   84   2HD2  LEU  11          2HD2      LEU  11   1.197   0.175  -1.507
   85   3HD2  LEU  11          3HD2      LEU  11   1.834  -1.324  -0.831
   86    H    THR  12           H        THR  12   5.784   0.734   0.866
   87    HA   THR  12           HA       THR  12   6.271  -2.048   1.224
   88    HB   THR  12           HB       THR  12   7.971   0.353   1.935
   89    HG1  THR  12           HG1      THR  12   8.507   0.362  -0.084
   90   1HG2  THR  12          1HG2      THR  12   9.675  -1.703   1.337
   91   2HG2  THR  12          2HG2      THR  12   8.439  -2.481   2.326
   92   3HG2  THR  12          3HG2      THR  12   9.318  -1.084   2.950
   93    H    GLY  13           H        GLY  13   6.138   0.713   3.463
   94   1HA   GLY  13          2HA       GLY  13   6.705  -0.560   5.844
   95   2HA   GLY  13          1HA       GLY  13   5.608   0.806   5.701
   96    H    LEU  14           H        LEU  14   3.736  -0.627   3.995
   97    HA   LEU  14           HA       LEU  14   2.015  -1.676   5.935
   98   1HB   LEU  14          2HB       LEU  14   1.841  -0.919   3.300
   99   2HB   LEU  14          1HB       LEU  14   1.626  -2.653   3.196
  100    HG   LEU  14           HG       LEU  14  -0.326  -2.587   4.555
  101   1HD1  LEU  14          1HD2      LEU  14  -0.987  -0.051   5.204
  102   2HD1  LEU  14          2HD2      LEU  14   0.767   0.014   5.386
  103   3HD1  LEU  14          3HD2      LEU  14  -0.172  -1.170   6.297
  104   1HD2  LEU  14          1HD1      LEU  14  -0.688  -0.120   2.918
  105   2HD2  LEU  14          2HD1      LEU  14  -1.770  -1.497   3.129
  106   3HD2  LEU  14          3HD1      LEU  14  -0.327  -1.651   2.122
  107    H    GLY  15           H        GLY  15   4.683  -3.095   4.331
  108   1HA   GLY  15          1HA       GLY  15   5.434  -5.208   5.396
  109   2HA   GLY  15          2HA       GLY  15   3.785  -5.773   5.182
  110    H    CYS  16           H        CYS  16   4.820  -3.877   2.568
  111    HA   CYS  16           HA       CYS  16   5.425  -6.317   1.029
  112   1HB   CYS  16          2HB       CYS  16   3.717  -3.967   0.471
  113   2HB   CYS  16          1HB       CYS  16   4.689  -4.542  -0.880
  114    HG   CYS  16           HG       CYS  16   3.452  -6.959  -0.175
  115    HA   PRO  17           HA       PRO  17   9.160  -3.579   0.768
  116   1HB   PRO  17          2HB       PRO  17  10.987  -5.309   1.681
  117   2HB   PRO  17          1HB       PRO  17   9.947  -4.401   2.786
  118   1HG   PRO  17          2HG       PRO  17   9.688  -7.231   1.833
  119   2HG   PRO  17          1HG       PRO  17   9.489  -6.584   3.471
  120   1HD   PRO  17          2HD       PRO  17   7.398  -7.128   1.786
  121   2HD   PRO  17          1HD       PRO  17   7.335  -5.907   3.072
  122    H    ASN  18           H        ASN  18   8.226  -6.623  -0.529
  123    HA   ASN  18           HA       ASN  18  10.173  -6.279  -2.702
  124   1HB   ASN  18          2HB       ASN  18  10.750  -8.164  -1.066
  125   2HB   ASN  18          1HB       ASN  18   9.333  -8.996  -1.699
  126   1HD2  ASN  18          1HD2      ASN  18  12.124  -7.210  -2.975
  127   2HD2  ASN  18          2HD2      ASN  18  12.507  -8.356  -4.209
  128    H    CYS  19           H        CYS  19   7.238  -5.674  -2.272
  129    HA   CYS  19           HA       CYS  19   6.188  -7.250  -4.525
  130   1HB   CYS  19          1HB       CYS  19   4.708  -5.925  -2.246
  131   2HB   CYS  19          2HB       CYS  19   3.923  -6.673  -3.633
  132    HG   CYS  19           HG       CYS  19   5.730  -8.546  -2.013
  133    H    ILE  20           H        ILE  20   6.758  -4.069  -3.244
  134    HA   ILE  20           HA       ILE  20   5.175  -2.445  -4.785
  135    HB   ILE  20           HB       ILE  20   6.703  -1.588  -3.068
  136   1HG1  ILE  20          1HG1      ILE  20   7.695  -0.140  -5.447
  137   2HG1  ILE  20          2HG1      ILE  20   5.947  -0.328  -5.356
  138   1HG2  ILE  20          1HG2      ILE  20   8.591  -3.135  -4.174
  139   2HG2  ILE  20          2HG2      ILE  20   8.958  -1.751  -3.142
  140   3HG2  ILE  20          3HG2      ILE  20   9.021  -1.584  -4.897
  141   1HD1  ILE  20          1HD1      ILE  20   7.748   1.002  -3.355
  142   2HD1  ILE  20          2HD1      ILE  20   6.041   0.660  -3.071
  143   3HD1  ILE  20          3HD1      ILE  20   6.517   1.753  -4.371
  144    H    GLU  21           H        GLU  21   8.016  -4.242  -5.741
  145    HA   GLU  21           HA       GLU  21   8.533  -2.992  -8.204
  146   1HB   GLU  21          2HB       GLU  21   8.928  -5.902  -7.489
  147   2HB   GLU  21          1HB       GLU  21   9.740  -5.029  -8.778
  148   1HG   GLU  21          2HG       GLU  21  10.272  -3.546  -6.494
  149   2HG   GLU  21          1HG       GLU  21  10.399  -5.226  -5.975
  150    H    TYR  22           H        TYR  22   6.475  -5.725  -7.333
  151    HA   TYR  22           HA       TYR  22   5.542  -6.122 -10.023
  152   1HB   TYR  22          1HB       TYR  22   4.064  -7.203  -7.659
  153   2HB   TYR  22          2HB       TYR  22   4.396  -7.962  -9.214
  154    HD1  TYR  22           HD1      TYR  22   4.899  -8.638  -6.038
  155    HD2  TYR  22           HD2      TYR  22   7.301  -7.741  -9.433
  156    HE1  TYR  22           HE1      TYR  22   6.776  -9.860  -5.027
  157    HE2  TYR  22           HE2      TYR  22   9.184  -8.960  -8.430
  158    HH   TYR  22           HH       TYR  22   9.048 -11.107  -6.279
  159    H    PHE  23           H        PHE  23   4.563  -4.291  -7.245
  160    HA   PHE  23           HA       PHE  23   1.887  -3.787  -8.155
  161   1HB   PHE  23          1HB       PHE  23   3.609  -2.805  -5.917
  162   2HB   PHE  23          2HB       PHE  23   2.191  -1.865  -6.362
  163    HD1  PHE  23           HD1      PHE  23  -0.064  -2.924  -6.254
  164    HD2  PHE  23           HD2      PHE  23   3.416  -4.798  -4.680
  165    HE1  PHE  23           HE1      PHE  23  -1.483  -4.416  -4.908
  166    HE2  PHE  23           HE2      PHE  23   2.004  -6.294  -3.330
  167    HZ   PHE  23           HZ       PHE  23  -0.449  -6.104  -3.443
  168    H    THR  24           H        THR  24   4.929  -1.958  -8.071
  169    HA   THR  24           HA       THR  24   4.021   0.418  -9.198
  170    HB   THR  24           HB       THR  24   6.397   0.704  -9.977
  171    HG1  THR  24           HG1      THR  24   7.799  -0.903  -9.766
  172   1HG2  THR  24          1HG2      THR  24   6.724   1.509  -7.955
  173   2HG2  THR  24          2HG2      THR  24   7.132  -0.114  -7.400
  174   3HG2  THR  24          3HG2      THR  24   5.468   0.458  -7.298
  175    H    SER  25           H        SER  25   4.779  -2.641 -10.698
  176    HA   SER  25           HA       SER  25   5.106  -1.872 -13.343
  177   1HB   SER  25          1HB       SER  25   4.782  -4.115 -13.913
  178   2HB   SER  25          2HB       SER  25   5.288  -4.218 -12.227
  179    HG   SER  25           HG       SER  25   3.484  -5.493 -12.472
  180    H    GLN  26           H        GLN  26   2.243  -1.895 -11.407
  181    HA   GLN  26           HA       GLN  26   0.538  -1.585 -13.773
  182   1HB   GLN  26          1HB       GLN  26  -0.593  -1.564 -11.014
  183   2HB   GLN  26          2HB       GLN  26  -1.264  -2.234 -12.494
  184   1HG   GLN  26          2HG       GLN  26   1.091  -3.449 -11.084
  185   2HG   GLN  26          1HG       GLN  26  -0.578  -3.883 -10.717
  186   1HE2  GLN  26          2HE2      GLN  26   1.229  -5.757 -11.581
  187   2HE2  GLN  26          1HE2      GLN  26   0.792  -6.290 -13.165
  188    H    GLY  27           H        GLY  27   1.661   0.112 -10.915
  189   1HA   GLY  27          1HA       GLY  27   1.879   2.604 -11.530
  190   2HA   GLY  27          2HA       GLY  27   0.136   2.494 -11.730
  191    H    LEU  28           H        LEU  28   2.175   0.988  -9.261
  192    HA   LEU  28           HA       LEU  28   0.522   2.277  -7.219
  193   1HB   LEU  28          1HB       LEU  28   1.663  -0.322  -7.523
  194   2HB   LEU  28          2HB       LEU  28   2.336   0.408  -6.079
  195    HG   LEU  28           HG       LEU  28   0.287  -0.987  -5.707
  196   1HD1  LEU  28          1HD2      LEU  28  -0.907   1.111  -4.517
  197   2HD1  LEU  28          2HD2      LEU  28   0.691   1.792  -4.824
  198   3HD1  LEU  28          3HD2      LEU  28   0.530   0.309  -3.882
  199   1HD2  LEU  28          1HD1      LEU  28  -1.146   1.300  -7.046
  200   2HD2  LEU  28          2HD1      LEU  28  -1.866  -0.145  -6.336
  201   3HD2  LEU  28          3HD1      LEU  28  -0.872  -0.276  -7.786
  202    H    GLN  29           H        GLN  29   2.426   3.892  -8.494
  203    HA   GLN  29           HA       GLN  29   4.579   4.168  -6.520
  204   1HB   GLN  29          2HB       GLN  29   5.604   5.721  -8.112
  205   2HB   GLN  29          1HB       GLN  29   5.257   4.177  -8.878
  206   1HG   GLN  29          2HG       GLN  29   3.487   5.051 -10.116
  207   2HG   GLN  29          1HG       GLN  29   3.347   6.472  -9.082
  208   1HE2  GLN  29          2HE2      GLN  29   3.655   8.078 -10.499
  209   2HE2  GLN  29          1HE2      GLN  29   5.074   8.285 -11.463
  210    H    SER  30           H        SER  30   1.701   5.663  -7.750
  211    HA   SER  30           HA       SER  30   2.017   7.877  -5.832
  212   1HB   SER  30          2HB       SER  30  -0.049   8.692  -7.379
  213   2HB   SER  30          1HB       SER  30   1.633   9.086  -7.727
  214    HG   SER  30           HG       SER  30  -0.085   7.624  -9.173
  215    H    ILE  31           H        ILE  31   1.000   7.365  -3.996
  216    HA   ILE  31           HA       ILE  31  -0.811   5.406  -3.522
  217    HB   ILE  31           HB       ILE  31   0.320   6.975  -1.847
  218   1HG1  ILE  31          1HG1      ILE  31  -2.119   6.707  -0.502
  219   2HG1  ILE  31          2HG1      ILE  31  -2.124   5.424  -1.708
  220   1HG2  ILE  31          1HG2      ILE  31  -0.621   8.947  -1.219
  221   2HG2  ILE  31          2HG2      ILE  31  -2.245   8.452  -1.699
  222   3HG2  ILE  31          3HG2      ILE  31  -1.077   8.946  -2.924
  223   1HD1  ILE  31          1HD1      ILE  31   0.309   5.801  -0.048
  224   2HD1  ILE  31          2HD1      ILE  31  -0.365   4.333  -0.755
  225   3HD1  ILE  31          3HD1      ILE  31  -1.111   5.047   0.674
  226    H    TYR  32           H        TYR  32  -1.464   8.481  -5.006
  227    HA   TYR  32           HA       TYR  32  -4.239   8.618  -4.677
  228   1HB   TYR  32          1HB       TYR  32  -2.256   9.768  -6.557
  229   2HB   TYR  32          2HB       TYR  32  -3.925   9.739  -7.117
  230    HD1  TYR  32           HD1      TYR  32  -4.677  11.933  -7.006
  231    HD2  TYR  32           HD2      TYR  32  -2.546  10.310  -3.701
  232    HE1  TYR  32           HE1      TYR  32  -5.150  13.969  -5.710
  233    HE2  TYR  32           HE2      TYR  32  -3.012  12.341  -2.395
  234    HH   TYR  32           HH       TYR  32  -5.266  14.715  -3.429
  235    H    HIS  33           H        HIS  33  -2.284   6.526  -6.604
  236    HA   HIS  33           HA       HIS  33  -4.425   5.791  -8.407
  237   1HB   HIS  33          2HB       HIS  33  -1.561   5.017  -8.057
  238   2HB   HIS  33          1HB       HIS  33  -2.625   3.920  -8.930
  239    HD1  HIS  33           HD1      HIS  33  -1.800   4.260 -11.272
  240    HD2  HIS  33           HD2      HIS  33  -2.667   7.840  -9.348
  241    HE1  HIS  33           HE1      HIS  33  -1.623   6.035 -13.044
  242    HE2  HIS  33           HE2      HIS  33  -2.151   8.195 -11.858
  243    H    LEU  34           H        LEU  34  -3.296   4.811  -5.315
  244    HA   LEU  34           HA       LEU  34  -4.831   2.309  -5.509
  245   1HB   LEU  34          1HB       LEU  34  -3.527   1.879  -3.270
  246   2HB   LEU  34          2HB       LEU  34  -2.788   1.583  -4.828
  247    HG   LEU  34           HG       LEU  34  -2.391   4.228  -3.475
  248   1HD1  LEU  34          1HD1      LEU  34  -0.154   2.898  -2.788
  249   2HD1  LEU  34          2HD1      LEU  34  -1.348   1.610  -2.620
  250   3HD1  LEU  34          3HD1      LEU  34  -1.538   3.112  -1.716
  251   1HD2  LEU  34          1HD2      LEU  34  -1.410   4.412  -5.505
  252   2HD2  LEU  34          2HD2      LEU  34  -1.188   2.675  -5.681
  253   3HD2  LEU  34          3HD2      LEU  34  -0.081   3.607  -4.675
  254    H    GLN  35           H        GLN  35  -5.543   5.261  -4.768
  255    HA   GLN  35           HA       GLN  35  -6.409   5.196  -2.073
  256   1HB   GLN  35          1HB       GLN  35  -6.030   7.276  -3.386
  257   2HB   GLN  35          2HB       GLN  35  -7.460   6.901  -4.337
  258   1HG   GLN  35          2HG       GLN  35  -8.654   8.032  -2.865
  259   2HG   GLN  35          1HG       GLN  35  -8.295   6.776  -1.681
  260   1HE2  GLN  35          2HE2      GLN  35  -5.973   7.055  -0.750
  261   2HE2  GLN  35          1HE2      GLN  35  -5.606   8.649  -0.196
  262    H    ASN  36           H        ASN  36  -7.681   3.791  -4.926
  263    HA   ASN  36           HA       ASN  36 -10.184   3.202  -3.496
  264   1HB   ASN  36          1HB       ASN  36  -9.760   4.239  -6.247
  265   2HB   ASN  36          2HB       ASN  36 -11.023   3.028  -6.041
  266   1HD2  ASN  36          2HD2      ASN  36 -10.140   6.274  -5.668
  267   2HD2  ASN  36          1HD2      ASN  36 -11.580   6.826  -4.893
  268    H    LEU  37           H        LEU  37  -7.518   1.746  -4.044
  269    HA   LEU  37           HA       LEU  37  -8.391  -0.545  -5.591
  270   1HB   LEU  37          2HB       LEU  37  -5.900   0.573  -4.851
  271   2HB   LEU  37          1HB       LEU  37  -5.966  -1.025  -4.133
  272    HG   LEU  37           HG       LEU  37  -6.782  -0.897  -6.963
  273   1HD1  LEU  37          1HD2      LEU  37  -4.140   0.063  -6.027
  274   2HD1  LEU  37          2HD2      LEU  37  -5.066   0.504  -7.462
  275   3HD1  LEU  37          3HD2      LEU  37  -4.170  -1.016  -7.423
  276   1HD2  LEU  37          1HD1      LEU  37  -6.358  -2.915  -5.350
  277   2HD2  LEU  37          2HD1      LEU  37  -4.676  -2.665  -5.816
  278   3HD2  LEU  37          3HD1      LEU  37  -5.890  -3.010  -7.048
  279    H    THR  38           H        THR  38  -8.696  -2.636  -4.777
  280    HA   THR  38           HA       THR  38  -8.929  -2.846  -1.850
  281    HB   THR  38           HB       THR  38 -10.881  -4.507  -3.172
  282    HG1  THR  38           HG1      THR  38 -11.189  -1.721  -3.626
  283   1HG2  THR  38          1HG2      THR  38 -11.864  -4.084  -1.250
  284   2HG2  THR  38          2HG2      THR  38 -12.150  -2.426  -1.778
  285   3HG2  THR  38          3HG2      THR  38 -10.684  -2.827  -0.882
  286    H    ILE  39           H        ILE  39  -9.310  -5.211  -1.215
  287    HA   ILE  39           HA       ILE  39  -7.120  -6.764  -1.977
  288    HB   ILE  39           HB       ILE  39  -8.413  -7.071   0.124
  289   1HG1  ILE  39          1HG1      ILE  39  -8.177  -9.494   0.201
  290   2HG1  ILE  39          2HG1      ILE  39  -8.216  -9.577  -1.557
  291   1HG2  ILE  39          1HG2      ILE  39 -10.658  -6.901  -0.807
  292   2HG2  ILE  39          2HG2      ILE  39 -10.457  -8.401   0.099
  293   3HG2  ILE  39          3HG2      ILE  39 -10.423  -8.425  -1.665
  294   1HD1  ILE  39          1HD1      ILE  39  -6.110  -8.420  -1.700
  295   2HD1  ILE  39          2HD1      ILE  39  -5.956  -9.818  -0.635
  296   3HD1  ILE  39          3HD1      ILE  39  -6.082  -8.196   0.049
  297    H    GLU  40           H        GLU  40 -10.395  -6.559  -3.162
  298    HA   GLU  40           HA       GLU  40 -10.473  -8.849  -4.740
  299   1HB   GLU  40          2HB       GLU  40 -12.139  -7.488  -6.142
  300   2HB   GLU  40          1HB       GLU  40 -12.530  -7.786  -4.454
  301   1HG   GLU  40          2HG       GLU  40 -12.321  -5.612  -3.874
  302   2HG   GLU  40          1HG       GLU  40 -11.066  -5.293  -5.072
  303    H    ASP  41           H        ASP  41  -9.185  -5.647  -5.397
  304    HA   ASP  41           HA       ASP  41  -8.475  -6.347  -8.126
  305   1HB   ASP  41          2HB       ASP  41  -8.068  -3.862  -6.458
  306   2HB   ASP  41          1HB       ASP  41  -7.414  -4.036  -8.084
  307    H    LEU  42           H        LEU  42  -7.056  -6.229  -4.978
  308    HA   LEU  42           HA       LEU  42  -4.349  -6.043  -5.528
  309   1HB   LEU  42          1HB       LEU  42  -5.960  -7.379  -3.395
  310   2HB   LEU  42          2HB       LEU  42  -4.237  -7.672  -3.457
  311    HG   LEU  42           HG       LEU  42  -5.441  -5.680  -2.037
  312   1HD1  LEU  42          1HD2      LEU  42  -2.668  -6.022  -3.104
  313   2HD1  LEU  42          2HD2      LEU  42  -3.289  -6.340  -1.485
  314   3HD1  LEU  42          3HD2      LEU  42  -3.078  -4.678  -2.037
  315   1HD2  LEU  42          1HD1      LEU  42  -4.101  -4.048  -4.100
  316   2HD2  LEU  42          2HD1      LEU  42  -5.442  -3.653  -3.026
  317   3HD2  LEU  42          3HD1      LEU  42  -5.726  -4.610  -4.474
  318    H    GLY  43           H        GLY  43  -6.159  -9.067  -4.979
  319   1HA   GLY  43          1HA       GLY  43  -4.171 -10.833  -5.795
  320   2HA   GLY  43          2HA       GLY  43  -5.894 -11.171  -5.855
  321    H    ALA  44           H        ALA  44  -6.112  -8.732  -7.706
  322    HA   ALA  44           HA       ALA  44  -6.136 -10.144 -10.144
  323   1HB   ALA  44          1HB       ALA  44  -5.924  -7.172 -10.122
  324   2HB   ALA  44          2HB       ALA  44  -7.343  -7.934  -9.403
  325   3HB   ALA  44          3HB       ALA  44  -6.951  -8.222 -11.098
  326    H    LEU  45           H        LEU  45  -3.795  -8.004  -8.641
  327    HA   LEU  45           HA       LEU  45  -2.038  -7.687 -10.792
  328   1HB   LEU  45          2HB       LEU  45  -1.707  -7.607  -7.809
  329   2HB   LEU  45          1HB       LEU  45  -0.349  -7.330  -8.884
  330    HG   LEU  45           HG       LEU  45  -1.461  -5.396  -9.838
  331   1HD1  LEU  45          1HD2      LEU  45  -3.734  -6.102  -7.997
  332   2HD1  LEU  45          2HD2      LEU  45  -3.753  -6.123  -9.760
  333   3HD1  LEU  45          3HD2      LEU  45  -3.596  -4.592  -8.898
  334   1HD2  LEU  45          1HD1      LEU  45  -0.135  -5.165  -7.748
  335   2HD2  LEU  45          2HD1      LEU  45  -1.641  -5.277  -6.837
  336   3HD2  LEU  45          3HD1      LEU  45  -1.378  -3.930  -7.944
  337    H    LYS  46           H        LYS  46  -2.734 -10.454  -8.915
  338    HA   LYS  46           HA       LYS  46  -1.979 -12.601  -9.098
  339   1HB   LYS  46          2HB       LYS  46   0.300 -11.839 -10.872
  340   2HB   LYS  46          1HB       LYS  46  -0.705 -13.284 -10.900
  341   1HG   LYS  46          1HG       LYS  46  -2.479 -11.263 -11.471
  342   2HG   LYS  46          2HG       LYS  46  -1.010 -10.773 -12.315
  343   1HD   LYS  46          2HD       LYS  46  -1.047 -12.577 -13.722
  344   2HD   LYS  46          1HD       LYS  46  -1.868 -13.609 -12.550
  345   1HE   LYS  46          2HE       LYS  46  -3.912 -12.157 -12.911
  346   2HE   LYS  46          1HE       LYS  46  -3.055 -11.461 -14.287
  347   1HZ   LYS  46          1HZ       LYS  46  -3.968 -13.127 -15.428
  348   2HZ   LYS  46          2HZ       LYS  46  -4.356 -14.014 -14.040
  349   3HZ   LYS  46          3HZ       LYS  46  -2.804 -14.117 -14.703
  350    H    ILE  47           H        ILE  47  -0.836 -10.370  -7.393
  351    HA   ILE  47           HA       ILE  47   1.866 -11.202  -6.835
  352    HB   ILE  47           HB       ILE  47   0.211  -9.528  -4.974
  353   1HG1  ILE  47          1HG1      ILE  47  -0.172  -8.562  -7.164
  354   2HG1  ILE  47          2HG1      ILE  47   0.939  -7.534  -6.266
  355   1HG2  ILE  47          1HG2      ILE  47   3.133  -9.717  -5.651
  356   2HG2  ILE  47          2HG2      ILE  47   2.344 -10.071  -4.113
  357   3HG2  ILE  47          3HG2      ILE  47   2.451  -8.407  -4.689
  358   1HD1  ILE  47          1HD1      ILE  47   1.948  -7.583  -8.308
  359   2HD1  ILE  47          2HD1      ILE  47   1.430  -9.234  -8.651
  360   3HD1  ILE  47          3HD1      ILE  47   2.755  -8.941  -7.523
  361    HA   PRO  48           HA       PRO  48   1.161 -14.702  -4.224
  362   1HB   PRO  48          2HB       PRO  48   3.108 -13.268  -2.460
  363   2HB   PRO  48          1HB       PRO  48   3.075 -14.967  -2.945
  364   1HG   PRO  48          2HG       PRO  48   4.754 -13.249  -4.104
  365   2HG   PRO  48          1HG       PRO  48   3.954 -14.521  -5.044
  366   1HD   PRO  48          2HD       PRO  48   3.442 -11.598  -4.994
  367   2HD   PRO  48          1HD       PRO  48   3.188 -12.768  -6.304
  368    H    GLU  49           H        GLU  49   0.208 -15.237  -2.201
  369    HA   GLU  49           HA       GLU  49  -1.413 -13.086  -1.112
  370   1HB   GLU  49          2HB       GLU  49  -1.917 -15.739  -1.650
  371   2HB   GLU  49          1HB       GLU  49  -1.712 -15.739   0.096
  372   1HG   GLU  49          1HG       GLU  49  -3.404 -13.944   0.252
  373   2HG   GLU  49          2HG       GLU  49  -3.657 -14.077  -1.488
  374    H    GLN  50           H        GLN  50   1.191 -12.670  -0.439
  375    HA   GLN  50           HA       GLN  50   1.697 -13.758   2.199
  376   1HB   GLN  50          1HB       GLN  50   3.257 -11.568   0.837
  377   2HB   GLN  50          2HB       GLN  50   3.805 -12.672   2.090
  378   1HG   GLN  50          2HG       GLN  50   4.051 -14.432   0.619
  379   2HG   GLN  50          1HG       GLN  50   2.936 -13.740  -0.557
  380   1HE2  GLN  50          2HE2      GLN  50   5.787 -14.706  -0.646
  381   2HE2  GLN  50          1HE2      GLN  50   6.643 -13.421  -1.414
  382    H    TYR  51           H        TYR  51   0.976 -10.588   0.761
  383    HA   TYR  51           HA       TYR  51  -0.085  -9.737   3.353
  384   1HB   TYR  51          1HB       TYR  51   1.584  -7.814   1.763
  385   2HB   TYR  51          2HB       TYR  51   1.151  -7.760   3.468
  386    HD1  TYR  51           HD1      TYR  51   2.175  -9.578   4.990
  387    HD2  TYR  51           HD2      TYR  51   3.660  -8.652   1.113
  388    HE1  TYR  51           HE1      TYR  51   4.328 -10.612   5.576
  389    HE2  TYR  51           HE2      TYR  51   5.818  -9.683   1.687
  390    HH   TYR  51           HH       TYR  51   6.795 -11.186   3.206
  391    H    ARG  52           H        ARG  52  -1.132 -10.486   0.604
  392    HA   ARG  52           HA       ARG  52  -2.077  -8.318  -0.820
  393   1HB   ARG  52          2HB       ARG  52  -2.463 -11.028  -0.922
  394   2HB   ARG  52          1HB       ARG  52  -4.059 -10.460  -0.455
  395   1HG   ARG  52          2HG       ARG  52  -4.470  -9.552  -2.471
  396   2HG   ARG  52          1HG       ARG  52  -2.810  -8.987  -2.670
  397   1HD   ARG  52          2HD       ARG  52  -2.942 -10.609  -4.298
  398   2HD   ARG  52          1HD       ARG  52  -2.275 -11.522  -2.944
  399    HE   ARG  52           HE       ARG  52  -5.108 -11.649  -2.958
  400   1HH1  ARG  52          1HH2      ARG  52  -2.279 -12.909  -4.551
  401   2HH1  ARG  52          2HH2      ARG  52  -3.045 -14.389  -5.021
  402   1HH2  ARG  52          2HH1      ARG  52  -6.125 -13.596  -3.572
  403   2HH2  ARG  52          1HH1      ARG  52  -5.231 -14.780  -4.464
  404    H    MET  53           H        MET  53  -3.807 -10.025   1.793
  405    HA   MET  53           HA       MET  53  -5.935  -8.212   1.986
  406   1HB   MET  53          2HB       MET  53  -4.763  -9.987   4.137
  407   2HB   MET  53          1HB       MET  53  -6.339  -9.210   4.206
  408   1HG   MET  53          2HG       MET  53  -7.216 -10.985   3.235
  409   2HG   MET  53          1HG       MET  53  -6.273 -10.632   1.789
  410   1HE   MET  53          1HE       MET  53  -6.058 -14.285   4.243
  411   2HE   MET  53          2HE       MET  53  -7.373 -13.174   3.861
  412   3HE   MET  53          3HE       MET  53  -6.281 -12.821   5.200
  413    H    THR  54           H        THR  54  -2.817  -8.338   3.653
  414    HA   THR  54           HA       THR  54  -3.199  -6.310   5.510
  415    HB   THR  54           HB       THR  54  -0.703  -7.093   3.994
  416    HG1  THR  54           HG1      THR  54  -1.606  -8.694   5.360
  417   1HG2  THR  54          1HG2      THR  54   0.630  -5.951   5.538
  418   2HG2  THR  54          2HG2      THR  54  -0.740  -5.603   6.592
  419   3HG2  THR  54          3HG2      THR  54  -0.598  -4.788   5.033
  420    H    ILE  55           H        ILE  55  -2.042  -6.089   2.163
  421    HA   ILE  55           HA       ILE  55  -1.642  -3.311   2.121
  422    HB   ILE  55           HB       ILE  55  -2.381  -5.105  -0.188
  423   1HG1  ILE  55          1HG1      ILE  55   0.412  -4.226   0.225
  424   2HG1  ILE  55          2HG1      ILE  55  -0.199  -5.389   1.397
  425   1HG2  ILE  55          1HG2      ILE  55  -1.150  -3.360  -1.513
  426   2HG2  ILE  55          2HG2      ILE  55  -1.195  -2.343  -0.073
  427   3HG2  ILE  55          3HG2      ILE  55  -2.698  -2.845  -0.844
  428   1HD1  ILE  55          1HD1      ILE  55  -1.000  -6.436  -1.018
  429   2HD1  ILE  55          2HD1      ILE  55   0.391  -6.948  -0.063
  430   3HD1  ILE  55          3HD1      ILE  55   0.598  -5.771  -1.358
  431    H    TRP  56           H        TRP  56  -4.492  -5.289   1.510
  432    HA   TRP  56           HA       TRP  56  -6.121  -3.257   0.429
  433   1HB   TRP  56          1HB       TRP  56  -6.819  -5.492   0.096
  434   2HB   TRP  56          2HB       TRP  56  -6.698  -5.874   1.809
  435    HD1  TRP  56           HD1      TRP  56  -8.665  -2.896   0.312
  436    HE1  TRP  56           HE1      TRP  56 -11.139  -3.176   0.986
  437    HE3  TRP  56           HE3      TRP  56  -8.374  -7.445   2.609
  438    HZ2  TRP  56           HZ2      TRP  56 -12.740  -5.055   2.304
  439    HZ3  TRP  56           HZ3      TRP  56 -10.430  -8.424   3.556
  440    HH2  TRP  56           HH2      TRP  56 -12.570  -7.251   3.407
  441    H    ARG  57           H        ARG  57  -5.879  -4.537   3.747
  442    HA   ARG  57           HA       ARG  57  -7.729  -2.783   4.908
  443   1HB   ARG  57          1HB       ARG  57  -6.746  -3.404   7.043
  444   2HB   ARG  57          2HB       ARG  57  -6.896  -4.822   6.014
  445   1HG   ARG  57          2HG       ARG  57  -4.624  -5.011   5.710
  446   2HG   ARG  57          1HG       ARG  57  -4.326  -3.311   6.070
  447   1HD   ARG  57          1HD       ARG  57  -3.520  -4.493   7.935
  448   2HD   ARG  57          2HD       ARG  57  -5.075  -3.828   8.436
  449    HE   ARG  57           HE       ARG  57  -5.620  -6.348   7.481
  450   1HH1  ARG  57          2HH1      ARG  57  -3.628  -4.978   9.986
  451   2HH1  ARG  57          1HH1      ARG  57  -3.746  -6.364  11.018
  452   1HH2  ARG  57          1HH2      ARG  57  -5.783  -8.179   8.831
  453   2HH2  ARG  57          2HH2      ARG  57  -4.970  -8.184  10.360
  454    H    GLY  58           H        GLY  58  -4.326  -2.407   4.159
  455   1HA   GLY  58          2HA       GLY  58  -4.020   0.029   5.659
  456   2HA   GLY  58          1HA       GLY  58  -2.870  -0.644   4.512
  457    H    LEU  59           H        LEU  59  -5.039  -0.817   2.454
  458    HA   LEU  59           HA       LEU  59  -4.646   1.810   1.353
  459   1HB   LEU  59          1HB       LEU  59  -5.348  -0.792   0.381
  460   2HB   LEU  59          2HB       LEU  59  -6.543   0.364  -0.176
  461    HG   LEU  59           HG       LEU  59  -4.791   1.719  -1.201
  462   1HD1  LEU  59          1HD2      LEU  59  -2.639  -0.202  -0.988
  463   2HD1  LEU  59          2HD2      LEU  59  -3.108   0.439   0.587
  464   3HD1  LEU  59          3HD2      LEU  59  -2.631   1.539  -0.707
  465   1HD2  LEU  59          1HD1      LEU  59  -4.860   0.481  -3.052
  466   2HD2  LEU  59          2HD1      LEU  59  -5.708  -0.723  -2.083
  467   3HD2  LEU  59          3HD1      LEU  59  -3.963  -0.839  -2.302
  468    H    GLN  60           H        GLN  60  -7.258   0.014   2.845
  469    HA   GLN  60           HA       GLN  60  -9.306   1.906   2.192
  470   1HB   GLN  60          1HB       GLN  60 -10.645   0.665   3.879
  471   2HB   GLN  60          2HB       GLN  60  -9.922  -0.386   2.669
  472   1HG   GLN  60          2HG       GLN  60  -8.175  -1.016   4.230
  473   2HG   GLN  60          1HG       GLN  60  -8.844   0.075   5.441
  474   1HE2  GLN  60          1HE2      GLN  60 -10.136  -2.419   3.263
  475   2HE2  GLN  60          2HE2      GLN  60 -11.018  -3.266   4.483
  476    H    ASP  61           H        ASP  61  -6.994   1.500   4.765
  477    HA   ASP  61           HA       ASP  61  -8.176   3.239   6.657
  478   1HB   ASP  61          2HB       ASP  61  -5.642   1.831   6.328
  479   2HB   ASP  61          1HB       ASP  61  -5.430   3.419   7.062
  480    H    LEU  62           H        LEU  62  -6.128   3.742   3.869
  481    HA   LEU  62           HA       LEU  62  -5.293   6.370   4.379
  482   1HB   LEU  62          1HB       LEU  62  -5.834   4.959   1.763
  483   2HB   LEU  62          2HB       LEU  62  -5.054   6.524   1.890
  484    HG   LEU  62           HG       LEU  62  -3.880   4.236   3.400
  485   1HD1  LEU  62          1HD2      LEU  62  -2.928   3.204   1.602
  486   2HD1  LEU  62          2HD2      LEU  62  -3.016   4.644   0.588
  487   3HD1  LEU  62          3HD2      LEU  62  -4.466   3.686   0.885
  488   1HD2  LEU  62          1HD1      LEU  62  -1.802   5.500   2.495
  489   2HD2  LEU  62          2HD1      LEU  62  -2.738   6.199   3.815
  490   3HD2  LEU  62          3HD1      LEU  62  -2.953   6.795   2.170
  491    H    LYS  63           H        LYS  63  -8.067   5.184   2.492
  492    HA   LYS  63           HA       LYS  63  -9.175   7.592   1.737
  493   1HB   LYS  63          2HB       LYS  63 -10.014   5.438   0.947
  494   2HB   LYS  63          1HB       LYS  63 -10.610   5.060   2.556
  495   1HG   LYS  63          2HG       LYS  63 -12.435   5.751   1.151
  496   2HG   LYS  63          1HG       LYS  63 -12.164   6.958   2.410
  497   1HD   LYS  63          1HD       LYS  63 -12.441   8.261   0.514
  498   2HD   LYS  63          2HD       LYS  63 -10.686   8.126   0.631
  499   1HE   LYS  63          2HE       LYS  63 -11.403   7.781  -1.659
  500   2HE   LYS  63          1HE       LYS  63 -10.730   6.290  -0.998
  501   1HZ   LYS  63          1HZ       LYS  63 -12.679   5.241  -1.190
  502   2HZ   LYS  63          2HZ       LYS  63 -13.096   6.480  -2.263
  503   3HZ   LYS  63          3HZ       LYS  63 -13.580   6.564  -0.644
  504    H    GLN  64           H        GLN  64  -9.946   5.730   4.679
  505    HA   GLN  64           HA       GLN  64 -11.745   7.513   5.808
  506   1HB   GLN  64          2HB       GLN  64  -9.769   5.713   7.224
  507   2HB   GLN  64          1HB       GLN  64 -11.170   6.466   7.972
  508   1HG   GLN  64          2HG       GLN  64 -12.553   5.246   6.215
  509   2HG   GLN  64          1HG       GLN  64 -11.097   4.302   5.903
  510   1HE2  GLN  64          2HE2      GLN  64 -10.357   2.865   7.447
  511   2HE2  GLN  64          1HE2      GLN  64 -11.328   2.360   8.784
  512    H    GLY  65           H        GLY  65  -8.440   7.134   7.077
  513   1HA   GLY  65          2HA       GLY  65  -6.944   9.100   7.052
  514   2HA   GLY  65          1HA       GLY  65  -8.363  10.068   7.425
  515    H    HIS  66           H        HIS  66  -9.468   9.544   9.507
  516    HA   HIS  66           HA       HIS  66  -7.450   8.905  11.552
  517   1HB   HIS  66          1HB       HIS  66  -8.757  11.225  11.339
  518   2HB   HIS  66          2HB       HIS  66  -9.956  10.340  12.277
  519    HD1  HIS  66           HD1      HIS  66  -8.673  12.701  13.613
  520    HD2  HIS  66           HD2      HIS  66  -7.071   8.871  13.810
  521    HE1  HIS  66           HE1      HIS  66  -7.226  12.682  15.670
  522    HE2  HIS  66           HE2      HIS  66  -6.266  10.355  15.770
  523    H    ASP  67           H        ASP  67  -7.801   7.280  12.953
  524    HA   ASP  67           HA       ASP  67 -10.251   6.328  13.829
  525   1HB   ASP  67          1HB       ASP  67 -10.461   5.624  11.443
  526   2HB   ASP  67          2HB       ASP  67  -9.106   4.554  11.727
  527    H    TYR  68           HN       TYR  68 -10.024   4.863  15.421
  528    HA   TYR  68           HA       TYR  68  -9.017   3.593  17.023
  529   1HB   TYR  68          2HB       TYR  68  -7.499   2.946  14.573
  530   2HB   TYR  68          1HB       TYR  68  -6.671   2.594  16.086
  531    HD1  TYR  68           HD1      TYR  68  -6.686   0.210  15.818
  532    HD2  TYR  68           HD2      TYR  68 -10.328   2.406  15.724
  533    HE1  TYR  68           HE1      TYR  68  -7.949  -1.888  16.031
  534    HE2  TYR  68           HE2      TYR  68 -11.602   0.313  15.936
  535    HH   TYR  68           HH       TYR  68 -11.034  -2.093  16.951
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1   5.262   8.838  11.054
    2   2H    TYR   1          2H        TYR   1   3.562   8.956  11.257
    3   3H    TYR   1          3H        TYR   1   4.576  10.255  11.738
    4    HA   TYR   1           HA       TYR   1   3.808   9.372   9.066
    5   1HB   TYR   1          1HB       TYR   1   2.690  11.202  10.510
    6   2HB   TYR   1          2HB       TYR   1   4.131  12.155  10.172
    7    HD1  TYR   1           HD1      TYR   1   2.169   9.865   7.977
    8    HD2  TYR   1           HD2      TYR   1   3.483  13.844   8.716
    9    HE1  TYR   1           HE1      TYR   1   1.187  10.579   5.841
   10    HE2  TYR   1           HE2      TYR   1   2.504  14.569   6.580
   11    HH   TYR   1           HH       TYR   1   1.014  13.953   4.931
   12    H    HIS   2           H        HIS   2   5.445   8.951   7.733
   13    HA   HIS   2           HA       HIS   2   7.758  10.764   7.756
   14   1HB   HIS   2          1HB       HIS   2   7.904   7.761   7.403
   15   2HB   HIS   2          2HB       HIS   2   9.262   8.879   7.315
   16    HD1  HIS   2           HD1      HIS   2   8.995  10.527   9.786
   17    HD2  HIS   2           HD2      HIS   2   8.198   6.449   9.743
   18    HE1  HIS   2           HE1      HIS   2   9.246   9.768  12.170
   19    HE2  HIS   2           HE2      HIS   2   8.759   7.296  12.121
   20    H    ALA   3           H        ALA   3   5.703  11.238   6.093
   21    HA   ALA   3           HA       ALA   3   5.790   9.904   3.601
   22   1HB   ALA   3          1HB       ALA   3   4.453  12.217   4.726
   23   2HB   ALA   3          2HB       ALA   3   3.919  11.111   3.461
   24   3HB   ALA   3          3HB       ALA   3   4.942  12.489   3.053
   25    H    ASP   4           H        ASP   4   6.133  11.547   1.608
   26    HA   ASP   4           HA       ASP   4   7.744  12.326   0.190
   27   1HB   ASP   4          2HB       ASP   4   7.729  14.213   1.945
   28   2HB   ASP   4          1HB       ASP   4   9.183  13.456   2.590
   29    HA   PRO   5           HA       PRO   5   7.446  10.480  -0.662
   30   1HB   PRO   5          2HB       PRO   5   7.575   7.619  -0.677
   31   2HB   PRO   5          1HB       PRO   5   8.073   8.734  -1.948
   32   1HG   PRO   5          1HG       PRO   5   9.796   7.145  -0.497
   33   2HG   PRO   5          2HG       PRO   5  10.265   8.631  -1.342
   34   1HD   PRO   5          1HD       PRO   5   9.654   8.213   1.563
   35   2HD   PRO   5          2HD       PRO   5  10.922   9.208   0.805
   36    H    SER   6           H        SER   6   5.317  10.245  -0.289
   37    HA   SER   6           HA       SER   6   4.478   9.293   2.316
   38   1HB   SER   6          2HB       SER   6   2.286  10.214   1.712
   39   2HB   SER   6          1HB       SER   6   3.560  11.398   1.411
   40    HG   SER   6           HG       SER   6   3.257  11.219  -0.696
   41    H    LEU   7           H        LEU   7   4.500   8.189  -0.958
   42    HA   LEU   7           HA       LEU   7   2.547   6.093  -0.399
   43   1HB   LEU   7          1HB       LEU   7   2.272   7.198  -2.504
   44   2HB   LEU   7          2HB       LEU   7   3.959   6.961  -2.917
   45    HG   LEU   7           HG       LEU   7   2.221   5.472  -4.070
   46   1HD1  LEU   7          1HD1      LEU   7   4.803   5.150  -3.733
   47   2HD1  LEU   7          2HD1      LEU   7   3.809   3.868  -4.422
   48   3HD1  LEU   7          3HD1      LEU   7   4.281   3.800  -2.726
   49   1HD2  LEU   7          1HD2      LEU   7   1.423   4.949  -1.500
   50   2HD2  LEU   7          2HD2      LEU   7   2.382   3.527  -1.907
   51   3HD2  LEU   7          3HD2      LEU   7   1.015   3.988  -2.921
   52    H    VAL   8           H        VAL   8   5.893   6.356  -1.599
   53    HA   VAL   8           HA       VAL   8   6.496   3.662  -1.748
   54    HB   VAL   8           HB       VAL   8   8.397   5.847  -0.894
   55   1HG1  VAL   8          1HG2      VAL   8   8.820   3.130  -0.995
   56   2HG1  VAL   8          2HG2      VAL   8  10.066   4.375  -1.068
   57   3HG1  VAL   8          3HG2      VAL   8   9.417   3.688  -2.557
   58   1HG2  VAL   8          1HG1      VAL   8   8.951   5.902  -3.349
   59   2HG2  VAL   8          2HG1      VAL   8   7.372   6.557  -2.915
   60   3HG2  VAL   8          3HG1      VAL   8   7.495   4.945  -3.621
   61    H    SER   9           H        SER   9   7.298   5.810   0.990
   62    HA   SER   9           HA       SER   9   8.252   3.860   2.708
   63   1HB   SER   9          2HB       SER   9   6.708   6.190   3.789
   64   2HB   SER   9          1HB       SER   9   8.209   5.474   4.376
   65    HG   SER   9           HG       SER   9   9.332   6.554   2.895
   66    H    PHE  10           H        PHE  10   5.004   4.449   1.747
   67    HA   PHE  10           HA       PHE  10   3.880   3.112   4.070
   68   1HB   PHE  10          1HB       PHE  10   2.743   4.537   1.692
   69   2HB   PHE  10          2HB       PHE  10   1.721   3.437   2.610
   70    HD1  PHE  10           HD1      PHE  10   4.372   5.459   4.149
   71    HD2  PHE  10           HD2      PHE  10   0.202   5.105   3.380
   72    HE1  PHE  10           HE1      PHE  10   3.923   7.243   5.783
   73    HE2  PHE  10           HE2      PHE  10  -0.255   6.887   5.013
   74    HZ   PHE  10           HZ       PHE  10   1.607   7.959   6.217
   75    H    LEU  11           H        LEU  11   3.768   2.612   0.538
   76    HA   LEU  11           HA       LEU  11   2.523   0.192   0.418
   77   1HB   LEU  11          2HB       LEU  11   3.464   1.674  -1.462
   78   2HB   LEU  11          1HB       LEU  11   4.953   0.774  -1.250
   79    HG   LEU  11           HG       LEU  11   3.490  -0.035  -3.116
   80   1HD1  LEU  11          1HD1      LEU  11   5.095  -1.429  -1.457
   81   2HD1  LEU  11          2HD1      LEU  11   4.290  -2.123  -2.865
   82   3HD1  LEU  11          3HD1      LEU  11   3.583  -2.316  -1.260
   83   1HD2  LEU  11          1HD2      LEU  11   1.445  -1.076  -2.735
   84   2HD2  LEU  11          2HD2      LEU  11   1.377   0.352  -1.702
   85   3HD2  LEU  11          3HD2      LEU  11   1.735  -1.226  -1.001
   86    H    THR  12           H        THR  12   5.962   0.760   1.005
   87    HA   THR  12           HA       THR  12   6.489  -2.064   1.350
   88    HB   THR  12           HB       THR  12   8.287   0.308   1.888
   89    HG1  THR  12           HG1      THR  12   9.126  -0.197  -0.189
   90   1HG2  THR  12          1HG2      THR  12   9.773  -1.893   1.033
   91   2HG2  THR  12          2HG2      THR  12   8.680  -2.498   2.277
   92   3HG2  THR  12          3HG2      THR  12   9.761  -1.152   2.633
   93    H    GLY  13           H        GLY  13   6.496   0.849   3.390
   94   1HA   GLY  13          2HA       GLY  13   7.191  -0.293   5.817
   95   2HA   GLY  13          1HA       GLY  13   6.143   1.108   5.646
   96    H    LEU  14           H        LEU  14   4.194  -0.511   4.076
   97    HA   LEU  14           HA       LEU  14   2.481  -1.249   6.164
   98   1HB   LEU  14          2HB       LEU  14   2.114  -0.717   3.590
   99   2HB   LEU  14          1HB       LEU  14   2.215  -2.458   3.446
  100    HG   LEU  14           HG       LEU  14   0.262  -2.788   4.707
  101   1HD1  LEU  14          1HD2      LEU  14   0.683   0.025   5.631
  102   2HD1  LEU  14          2HD2      LEU  14   0.448  -1.438   6.586
  103   3HD1  LEU  14          3HD2      LEU  14  -0.911  -0.724   5.717
  104   1HD2  LEU  14          1HD1      LEU  14  -1.356  -1.780   3.388
  105   2HD2  LEU  14          2HD1      LEU  14   0.086  -1.706   2.374
  106   3HD2  LEU  14          3HD1      LEU  14  -0.448  -0.274   3.254
  107    H    GLY  15           H        GLY  15   5.101  -2.914   4.728
  108   1HA   GLY  15          1HA       GLY  15   5.892  -4.871   5.988
  109   2HA   GLY  15          2HA       GLY  15   4.221  -5.413   6.030
  110    H    CYS  16           H        CYS  16   5.208  -3.953   3.091
  111    HA   CYS  16           HA       CYS  16   5.675  -6.604   1.894
  112   1HB   CYS  16          1HB       CYS  16   4.153  -4.392   0.519
  113   2HB   CYS  16          2HB       CYS  16   4.287  -6.079   0.033
  114    HG   CYS  16           HG       CYS  16   2.075  -5.055   1.611
  115    HA   PRO  17           HA       PRO  17   9.006  -3.671   0.575
  116   1HB   PRO  17          2HB       PRO  17  11.122  -4.929   1.615
  117   2HB   PRO  17          1HB       PRO  17  10.083  -3.903   2.614
  118   1HG   PRO  17          2HG       PRO  17  10.152  -6.886   2.381
  119   2HG   PRO  17          1HG       PRO  17   9.960  -5.880   3.828
  120   1HD   PRO  17          2HD       PRO  17   7.883  -7.099   2.468
  121   2HD   PRO  17          1HD       PRO  17   7.707  -5.689   3.530
  122    H    ASN  18           H        ASN  18   7.868  -6.531  -0.392
  123    HA   ASN  18           HA       ASN  18   9.914  -6.794  -2.471
  124   1HB   ASN  18          1HB       ASN  18   9.678  -9.297  -2.318
  125   2HB   ASN  18          2HB       ASN  18  10.493  -8.548  -0.947
  126   1HD2  ASN  18          2HD2      ASN  18   7.641 -10.178  -2.048
  127   2HD2  ASN  18          1HD2      ASN  18   6.968 -10.490  -0.489
  128    H    CYS  19           H        CYS  19   6.970  -5.865  -2.082
  129    HA   CYS  19           HA       CYS  19   5.857  -7.447  -4.304
  130   1HB   CYS  19          1HB       CYS  19   4.337  -5.898  -2.196
  131   2HB   CYS  19          2HB       CYS  19   3.635  -6.892  -3.467
  132    HG   CYS  19           HG       CYS  19   3.803  -8.122  -1.078
  133    H    ILE  20           H        ILE  20   6.737  -4.301  -3.187
  134    HA   ILE  20           HA       ILE  20   5.206  -2.587  -4.673
  135    HB   ILE  20           HB       ILE  20   6.911  -1.809  -3.107
  136   1HG1  ILE  20          1HG1      ILE  20   7.943  -0.512  -5.528
  137   2HG1  ILE  20          2HG1      ILE  20   6.186  -0.619  -5.486
  138   1HG2  ILE  20          1HG2      ILE  20   8.591  -3.562  -4.052
  139   2HG2  ILE  20          2HG2      ILE  20   9.185  -2.034  -3.401
  140   3HG2  ILE  20          3HG2      ILE  20   9.047  -2.255  -5.145
  141   1HD1  ILE  20          1HD1      ILE  20   6.321   0.399  -3.177
  142   2HD1  ILE  20          2HD1      ILE  20   6.727   1.451  -4.533
  143   3HD1  ILE  20          3HD1      ILE  20   8.009   0.752  -3.544
  144    H    GLU  21           H        GLU  21   8.055  -4.394  -5.762
  145    HA   GLU  21           HA       GLU  21   8.319  -3.294  -8.300
  146   1HB   GLU  21          1HB       GLU  21   9.384  -5.475  -8.913
  147   2HB   GLU  21          2HB       GLU  21  10.023  -4.745  -7.447
  148   1HG   GLU  21          1HG       GLU  21   8.044  -6.337  -6.460
  149   2HG   GLU  21          2HG       GLU  21   8.623  -7.278  -7.834
  150    H    TYR  22           H        TYR  22   6.253  -5.938  -7.185
  151    HA   TYR  22           HA       TYR  22   5.228  -6.532  -9.794
  152   1HB   TYR  22          1HB       TYR  22   4.088  -7.256  -7.084
  153   2HB   TYR  22          2HB       TYR  22   3.652  -7.988  -8.624
  154    HD1  TYR  22           HD1      TYR  22   4.929  -9.755  -9.541
  155    HD2  TYR  22           HD2      TYR  22   6.405  -7.606  -6.179
  156    HE1  TYR  22           HE1      TYR  22   6.697 -11.438  -9.249
  157    HE2  TYR  22           HE2      TYR  22   8.178  -9.282  -5.879
  158    HH   TYR  22           HH       TYR  22   8.735 -11.496  -6.445
  159    H    PHE  23           H        PHE  23   4.281  -4.491  -7.119
  160    HA   PHE  23           HA       PHE  23   1.674  -3.886  -8.118
  161   1HB   PHE  23          1HB       PHE  23   3.411  -2.934  -5.898
  162   2HB   PHE  23          2HB       PHE  23   2.140  -1.848  -6.442
  163    HD1  PHE  23           HD1      PHE  23  -0.234  -2.927  -6.661
  164    HD2  PHE  23           HD2      PHE  23   2.925  -4.494  -4.281
  165    HE1  PHE  23           HE1      PHE  23  -1.875  -4.153  -5.299
  166    HE2  PHE  23           HE2      PHE  23   1.291  -5.724  -2.913
  167    HZ   PHE  23           HZ       PHE  23  -1.113  -5.554  -3.422
  168    H    THR  24           H        THR  24   4.738  -2.076  -8.000
  169    HA   THR  24           HA       THR  24   3.991   0.251  -9.236
  170    HB   THR  24           HB       THR  24   6.342   0.408 -10.042
  171    HG1  THR  24           HG1      THR  24   7.189  -1.459 -10.494
  172   1HG2  THR  24          1HG2      THR  24   7.172  -0.536  -7.555
  173   2HG2  THR  24          2HG2      THR  24   5.524   0.049  -7.323
  174   3HG2  THR  24          3HG2      THR  24   6.753   1.120  -7.997
  175    H    SER  25           H        SER  25   4.624  -2.861 -10.720
  176    HA   SER  25           HA       SER  25   4.955  -2.236 -13.356
  177   1HB   SER  25          2HB       SER  25   3.103  -4.475 -12.581
  178   2HB   SER  25          1HB       SER  25   4.312  -4.432 -13.866
  179    HG   SER  25           HG       SER  25   5.087  -5.660 -12.151
  180    H    GLN  26           H        GLN  26   2.051  -1.907 -11.476
  181    HA   GLN  26           HA       GLN  26   0.479  -1.375 -13.894
  182   1HB   GLN  26          1HB       GLN  26  -0.752  -1.317 -11.180
  183   2HB   GLN  26          2HB       GLN  26  -1.428  -1.873 -12.704
  184   1HG   GLN  26          2HG       GLN  26   0.756  -3.366 -11.292
  185   2HG   GLN  26          1HG       GLN  26  -0.950  -3.621 -10.929
  186   1HE2  GLN  26          2HE2      GLN  26   0.549  -5.698 -11.808
  187   2HE2  GLN  26          1HE2      GLN  26   0.090  -6.129 -13.418
  188    H    GLY  27           H        GLY  27   1.789   0.158 -11.053
  189   1HA   GLY  27          1HA       GLY  27   2.227   2.610 -11.484
  190   2HA   GLY  27          2HA       GLY  27   0.511   2.697 -11.860
  191    H    LEU  28           H        LEU  28   2.211   0.984  -9.268
  192    HA   LEU  28           HA       LEU  28   0.440   2.279  -7.336
  193   1HB   LEU  28          1HB       LEU  28   1.519  -0.341  -7.627
  194   2HB   LEU  28          2HB       LEU  28   2.116   0.322  -6.120
  195    HG   LEU  28           HG       LEU  28  -0.003  -1.013  -5.940
  196   1HD1  LEU  28          1HD2      LEU  28   0.493   1.687  -4.902
  197   2HD1  LEU  28          2HD2      LEU  28   0.134   0.187  -4.047
  198   3HD1  LEU  28          3HD2      LEU  28  -1.174   1.127  -4.765
  199   1HD2  LEU  28          1HD1      LEU  28  -0.874   0.100  -8.126
  200   2HD2  LEU  28          2HD1      LEU  28  -1.441   1.362  -7.033
  201   3HD2  LEU  28          3HD1      LEU  28  -2.003  -0.298  -6.831
  202    H    GLN  29           H        GLN  29   2.475   3.883  -8.384
  203    HA   GLN  29           HA       GLN  29   4.470   4.037  -6.238
  204   1HB   GLN  29          2HB       GLN  29   4.524   5.906  -8.559
  205   2HB   GLN  29          1HB       GLN  29   5.858   5.180  -7.672
  206   1HG   GLN  29          1HG       GLN  29   5.196   2.987  -8.752
  207   2HG   GLN  29          2HG       GLN  29   4.162   3.941  -9.814
  208   1HE2  GLN  29          2HE2      GLN  29   7.491   3.995  -8.580
  209   2HE2  GLN  29          1HE2      GLN  29   8.226   4.384 -10.095
  210    H    SER  30           H        SER  30   1.743   5.649  -7.652
  211    HA   SER  30           HA       SER  30   1.966   7.823  -5.679
  212   1HB   SER  30          2HB       SER  30  -0.062   7.954  -7.852
  213   2HB   SER  30          1HB       SER  30   0.904   9.244  -7.136
  214    HG   SER  30           HG       SER  30   1.703   7.326  -9.059
  215    H    ILE  31           H        ILE  31   0.902   7.291  -3.877
  216    HA   ILE  31           HA       ILE  31  -0.891   5.318  -3.457
  217    HB   ILE  31           HB       ILE  31   0.164   6.934  -1.761
  218   1HG1  ILE  31          2HG1      ILE  31  -2.204   6.524  -0.393
  219   2HG1  ILE  31          1HG1      ILE  31  -2.265   5.314  -1.672
  220   1HG2  ILE  31          1HG2      ILE  31  -0.872   8.990  -2.532
  221   2HG2  ILE  31          2HG2      ILE  31  -1.348   8.644  -0.869
  222   3HG2  ILE  31          3HG2      ILE  31  -2.471   8.328  -2.192
  223   1HD1  ILE  31          1HD1      ILE  31   0.148   5.645   0.070
  224   2HD1  ILE  31          2HD1      ILE  31  -0.316   4.267  -0.929
  225   3HD1  ILE  31          3HD1      ILE  31  -1.218   4.634   0.540
  226    H    TYR  32           H        TYR  32  -1.576   8.376  -4.961
  227    HA   TYR  32           HA       TYR  32  -4.363   8.440  -4.701
  228   1HB   TYR  32          1HB       TYR  32  -2.378   9.614  -6.582
  229   2HB   TYR  32          2HB       TYR  32  -4.063   9.607  -7.092
  230    HD1  TYR  32           HD1      TYR  32  -5.771  10.546  -5.337
  231    HD2  TYR  32           HD2      TYR  32  -1.599  11.377  -5.299
  232    HE1  TYR  32           HE1      TYR  32  -6.191  12.562  -3.995
  233    HE2  TYR  32           HE2      TYR  32  -2.006  13.395  -3.955
  234    HH   TYR  32           HH       TYR  32  -4.396  14.996  -3.718
  235    H    HIS  33           H        HIS  33  -2.298   6.448  -6.629
  236    HA   HIS  33           HA       HIS  33  -4.333   5.676  -8.513
  237   1HB   HIS  33          2HB       HIS  33  -1.693   5.667  -8.719
  238   2HB   HIS  33          1HB       HIS  33  -1.873   4.038  -8.076
  239    HD1  HIS  33           HD1      HIS  33  -3.079   6.134 -11.000
  240    HD2  HIS  33           HD2      HIS  33  -2.519   2.156  -9.936
  241    HE1  HIS  33           HE1      HIS  33  -3.525   4.809 -13.091
  242    HE2  HIS  33           HE2      HIS  33  -3.180   2.405 -12.425
  243    H    LEU  34           H        LEU  34  -3.575   4.755  -5.324
  244    HA   LEU  34           HA       LEU  34  -5.035   2.222  -5.669
  245   1HB   LEU  34          2HB       LEU  34  -3.920   1.808  -3.307
  246   2HB   LEU  34          1HB       LEU  34  -3.091   1.443  -4.804
  247    HG   LEU  34           HG       LEU  34  -2.703   4.042  -3.310
  248   1HD1  LEU  34          1HD1      LEU  34  -1.581   2.912  -1.770
  249   2HD1  LEU  34          2HD1      LEU  34  -0.416   2.495  -3.026
  250   3HD1  LEU  34          3HD1      LEU  34  -1.748   1.399  -2.660
  251   1HD2  LEU  34          1HD2      LEU  34  -0.428   3.392  -4.738
  252   2HD2  LEU  34          2HD2      LEU  34  -1.653   4.565  -5.210
  253   3HD2  LEU  34          3HD2      LEU  34  -1.741   2.912  -5.813
  254    H    GLN  35           H        GLN  35  -5.454   5.309  -4.606
  255    HA   GLN  35           HA       GLN  35  -6.577   5.210  -2.119
  256   1HB   GLN  35          1HB       GLN  35  -6.274   7.179  -3.819
  257   2HB   GLN  35          2HB       GLN  35  -7.934   6.803  -4.259
  258   1HG   GLN  35          1HG       GLN  35  -8.722   7.849  -2.477
  259   2HG   GLN  35          2HG       GLN  35  -7.645   6.957  -1.402
  260   1HE2  GLN  35          2HE2      GLN  35  -6.803   8.457  -0.117
  261   2HE2  GLN  35          1HE2      GLN  35  -5.992   9.888  -0.644
  262    H    ASN  36           H        ASN  36  -8.014   4.181  -5.158
  263    HA   ASN  36           HA       ASN  36 -10.450   3.412  -3.705
  264   1HB   ASN  36          1HB       ASN  36  -9.928   4.409  -6.422
  265   2HB   ASN  36          2HB       ASN  36 -11.068   3.069  -6.347
  266   1HD2  ASN  36          2HD2      ASN  36 -10.557   6.382  -5.830
  267   2HD2  ASN  36          1HD2      ASN  36 -12.120   6.769  -5.212
  268    H    LEU  37           H        LEU  37  -7.734   1.939  -4.125
  269    HA   LEU  37           HA       LEU  37  -8.602  -0.445  -5.524
  270   1HB   LEU  37          2HB       LEU  37  -6.219   0.554  -5.494
  271   2HB   LEU  37          1HB       LEU  37  -6.085  -0.189  -3.914
  272    HG   LEU  37           HG       LEU  37  -6.562  -2.396  -4.940
  273   1HD1  LEU  37          1HD1      LEU  37  -7.822  -1.823  -6.857
  274   2HD1  LEU  37          2HD1      LEU  37  -6.310  -2.517  -7.441
  275   3HD1  LEU  37          3HD1      LEU  37  -6.547  -0.769  -7.467
  276   1HD2  LEU  37          1HD2      LEU  37  -4.248  -1.534  -4.587
  277   2HD2  LEU  37          2HD2      LEU  37  -4.248  -1.000  -6.268
  278   3HD2  LEU  37          3HD2      LEU  37  -4.394  -2.716  -5.887
  279    H    THR  38           H        THR  38  -8.596  -2.561  -4.530
  280    HA   THR  38           HA       THR  38  -8.903  -2.596  -1.616
  281    HB   THR  38           HB       THR  38 -10.864  -4.335  -2.847
  282    HG1  THR  38           HG1      THR  38 -10.860  -2.665  -4.450
  283   1HG2  THR  38          1HG2      THR  38 -11.875  -2.049  -1.359
  284   2HG2  THR  38          2HG2      THR  38 -10.626  -2.950  -0.502
  285   3HG2  THR  38          3HG2      THR  38 -12.075  -3.777  -1.073
  286    H    ILE  39           H        ILE  39  -9.278  -4.968  -0.902
  287    HA   ILE  39           HA       ILE  39  -7.068  -6.522  -1.644
  288    HB   ILE  39           HB       ILE  39  -8.252  -6.829   0.480
  289   1HG1  ILE  39          1HG1      ILE  39  -8.130  -9.237   0.570
  290   2HG1  ILE  39          2HG1      ILE  39  -8.374  -9.357  -1.170
  291   1HG2  ILE  39          1HG2      ILE  39 -10.412  -8.358  -0.883
  292   2HG2  ILE  39          2HG2      ILE  39 -10.535  -6.603  -0.769
  293   3HG2  ILE  39          3HG2      ILE  39 -10.409  -7.575   0.697
  294   1HD1  ILE  39          1HD1      ILE  39  -5.991  -8.025   0.082
  295   2HD1  ILE  39          2HD1      ILE  39  -6.225  -8.455  -1.612
  296   3HD1  ILE  39          3HD1      ILE  39  -6.033  -9.721  -0.399
  297    H    GLU  40           H        GLU  40 -10.374  -6.400  -2.751
  298    HA   GLU  40           HA       GLU  40 -10.448  -8.723  -4.274
  299   1HB   GLU  40          2HB       GLU  40 -12.195  -7.481  -5.643
  300   2HB   GLU  40          1HB       GLU  40 -12.504  -7.639  -3.921
  301   1HG   GLU  40          1HG       GLU  40 -12.529  -5.441  -3.620
  302   2HG   GLU  40          2HG       GLU  40 -11.058  -5.211  -4.562
  303    H    ASP  41           H        ASP  41  -9.232  -5.516  -5.060
  304    HA   ASP  41           HA       ASP  41  -8.579  -6.301  -7.777
  305   1HB   ASP  41          2HB       ASP  41  -8.230  -3.741  -6.217
  306   2HB   ASP  41          1HB       ASP  41  -7.547  -3.963  -7.824
  307    H    LEU  42           H        LEU  42  -7.015  -5.842  -4.688
  308    HA   LEU  42           HA       LEU  42  -4.349  -5.730  -5.404
  309   1HB   LEU  42          2HB       LEU  42  -5.660  -7.100  -3.055
  310   2HB   LEU  42          1HB       LEU  42  -3.928  -6.911  -3.210
  311    HG   LEU  42           HG       LEU  42  -5.851  -5.085  -2.120
  312   1HD1  LEU  42          1HD2      LEU  42  -3.900  -4.020  -1.237
  313   2HD1  LEU  42          2HD2      LEU  42  -2.870  -4.836  -2.415
  314   3HD1  LEU  42          3HD2      LEU  42  -3.689  -5.768  -1.161
  315   1HD2  LEU  42          1HD1      LEU  42  -4.117  -3.812  -4.225
  316   2HD2  LEU  42          2HD1      LEU  42  -5.289  -3.026  -3.167
  317   3HD2  LEU  42          3HD1      LEU  42  -5.838  -4.121  -4.433
  318    H    GLY  43           H        GLY  43  -6.422  -8.570  -4.960
  319   1HA   GLY  43          1HA       GLY  43  -4.329 -10.420  -5.662
  320   2HA   GLY  43          2HA       GLY  43  -6.026 -10.806  -5.420
  321    H    ALA  44           H        ALA  44  -5.977  -8.275  -7.531
  322    HA   ALA  44           HA       ALA  44  -6.469 -10.026  -9.792
  323   1HB   ALA  44          1HB       ALA  44  -7.401  -7.478  -8.980
  324   2HB   ALA  44          2HB       ALA  44  -7.905  -8.436 -10.372
  325   3HB   ALA  44          3HB       ALA  44  -6.584  -7.279 -10.531
  326    H    LEU  45           H        LEU  45  -4.124  -7.685  -8.674
  327    HA   LEU  45           HA       LEU  45  -2.674  -7.309 -11.033
  328   1HB   LEU  45          2HB       LEU  45  -1.947  -7.178  -8.121
  329   2HB   LEU  45          1HB       LEU  45  -0.772  -6.832  -9.373
  330    HG   LEU  45           HG       LEU  45  -2.129  -4.978 -10.173
  331   1HD1  LEU  45          1HD2      LEU  45  -4.337  -5.842  -9.698
  332   2HD1  LEU  45          2HD2      LEU  45  -4.124  -4.266  -8.936
  333   3HD1  LEU  45          3HD2      LEU  45  -4.028  -5.735  -7.965
  334   1HD2  LEU  45          1HD1      LEU  45  -0.591  -4.260  -8.590
  335   2HD2  LEU  45          2HD1      LEU  45  -1.425  -5.083  -7.272
  336   3HD2  LEU  45          3HD1      LEU  45  -2.118  -3.623  -7.979
  337    H    LYS  46           H        LYS  46  -2.961 -10.097  -9.088
  338    HA   LYS  46           HA       LYS  46  -2.105 -12.196  -9.373
  339   1HB   LYS  46          2HB       LYS  46  -0.057 -11.281 -11.347
  340   2HB   LYS  46          1HB       LYS  46  -0.942 -12.800 -11.277
  341   1HG   LYS  46          1HG       LYS  46  -2.883 -10.849 -11.678
  342   2HG   LYS  46          2HG       LYS  46  -1.540 -10.392 -12.726
  343   1HD   LYS  46          1HD       LYS  46  -1.581 -12.470 -13.853
  344   2HD   LYS  46          2HD       LYS  46  -2.633 -13.193 -12.633
  345   1HE   LYS  46          2HE       LYS  46  -4.274 -12.735 -14.092
  346   2HE   LYS  46          1HE       LYS  46  -4.144 -11.094 -13.458
  347   1HZ   LYS  46          1HZ       LYS  46  -3.997 -11.623 -16.026
  348   2HZ   LYS  46          2HZ       LYS  46  -2.360 -11.823 -15.648
  349   3HZ   LYS  46          3HZ       LYS  46  -3.129 -10.352 -15.324
  350    H    ILE  47           H        ILE  47  -0.936  -9.864  -7.801
  351    HA   ILE  47           HA       ILE  47   1.831 -10.654  -7.438
  352    HB   ILE  47           HB       ILE  47   0.344  -8.766  -5.637
  353   1HG1  ILE  47          2HG1      ILE  47   1.579  -8.090  -8.318
  354   2HG1  ILE  47          1HG1      ILE  47  -0.143  -8.091  -7.955
  355   1HG2  ILE  47          1HG2      ILE  47   3.208  -9.076  -6.495
  356   2HG2  ILE  47          2HG2      ILE  47   2.529  -9.270  -4.880
  357   3HG2  ILE  47          3HG2      ILE  47   2.610  -7.669  -5.616
  358   1HD1  ILE  47          1HD1      ILE  47   0.699  -5.841  -7.939
  359   2HD1  ILE  47          2HD1      ILE  47   1.935  -6.279  -6.758
  360   3HD1  ILE  47          3HD1      ILE  47   0.230  -6.308  -6.305
  361    HA   PRO  48           HA       PRO  48   1.356 -13.905  -4.472
  362   1HB   PRO  48          2HB       PRO  48   3.298 -12.197  -2.954
  363   2HB   PRO  48          1HB       PRO  48   3.302 -13.947  -3.202
  364   1HG   PRO  48          2HG       PRO  48   4.878 -12.350  -4.654
  365   2HG   PRO  48          1HG       PRO  48   4.099 -13.771  -5.371
  366   1HD   PRO  48          2HD       PRO  48   3.510 -10.904  -5.768
  367   2HD   PRO  48          1HD       PRO  48   3.176 -12.282  -6.832
  368    H    GLU  49           H        GLU  49  -0.001 -14.256  -2.802
  369    HA   GLU  49           HA       GLU  49  -1.260 -11.936  -1.579
  370   1HB   GLU  49          2HB       GLU  49  -2.998 -13.448  -0.879
  371   2HB   GLU  49          1HB       GLU  49  -2.628 -13.761  -2.569
  372   1HG   GLU  49          1HG       GLU  49  -1.099 -15.392  -0.686
  373   2HG   GLU  49          2HG       GLU  49  -2.842 -15.653  -0.630
  374    H    GLN  50           H        GLN  50   1.471 -12.985  -0.805
  375    HA   GLN  50           HA       GLN  50   1.427 -14.223   1.686
  376   1HB   GLN  50          1HB       GLN  50   3.409 -12.065   1.008
  377   2HB   GLN  50          2HB       GLN  50   3.662 -13.532   1.943
  378   1HG   GLN  50          1HG       GLN  50   3.042 -14.671  -0.360
  379   2HG   GLN  50          2HG       GLN  50   3.624 -13.132  -0.992
  380   1HE2  GLN  50          2HE2      GLN  50   5.484 -13.762  -1.888
  381   2HE2  GLN  50          1HE2      GLN  50   6.802 -14.456  -1.017
  382    H    TYR  51           H        TYR  51   0.978 -10.860   0.795
  383    HA   TYR  51           HA       TYR  51  -0.030 -10.324   3.488
  384   1HB   TYR  51          1HB       TYR  51   1.589  -8.165   2.220
  385   2HB   TYR  51          2HB       TYR  51   1.324  -8.516   3.924
  386    HD1  TYR  51           HD1      TYR  51   2.323 -10.993   4.565
  387    HD2  TYR  51           HD2      TYR  51   3.760  -8.397   1.516
  388    HE1  TYR  51           HE1      TYR  51   4.527 -12.077   4.688
  389    HE2  TYR  51           HE2      TYR  51   5.968  -9.475   1.630
  390    HH   TYR  51           HH       TYR  51   7.302 -10.785   3.118
  391    H    ARG  52           H        ARG  52  -1.243 -10.777   0.857
  392    HA   ARG  52           HA       ARG  52  -2.058  -8.547  -0.510
  393   1HB   ARG  52          2HB       ARG  52  -2.738 -11.212  -0.501
  394   2HB   ARG  52          1HB       ARG  52  -4.238 -10.442  -0.010
  395   1HG   ARG  52          1HG       ARG  52  -4.513  -9.377  -2.023
  396   2HG   ARG  52          2HG       ARG  52  -2.783  -9.367  -2.374
  397   1HD   ARG  52          1HD       ARG  52  -3.956 -10.921  -3.833
  398   2HD   ARG  52          2HD       ARG  52  -2.845 -11.777  -2.765
  399    HE   ARG  52           HE       ARG  52  -5.187 -11.887  -1.424
  400   1HH1  ARG  52          2HH1      ARG  52  -4.268 -12.680  -4.688
  401   2HH1  ARG  52          1HH1      ARG  52  -5.453 -13.932  -4.856
  402   1HH2  ARG  52          1HH2      ARG  52  -6.753 -13.533  -1.633
  403   2HH2  ARG  52          2HH2      ARG  52  -6.867 -14.416  -3.118
  404    H    MET  53           H        MET  53  -3.840 -10.026   2.210
  405    HA   MET  53           HA       MET  53  -5.784  -8.057   2.456
  406   1HB   MET  53          1HB       MET  53  -5.906  -8.852   4.884
  407   2HB   MET  53          2HB       MET  53  -6.159 -10.062   3.634
  408   1HG   MET  53          1HG       MET  53  -3.424 -10.110   4.108
  409   2HG   MET  53          2HG       MET  53  -4.156  -9.935   5.702
  410   1HE   MET  53          1HE       MET  53  -7.059 -11.948   5.173
  411   2HE   MET  53          2HE       MET  53  -6.107 -11.195   6.453
  412   3HE   MET  53          3HE       MET  53  -6.181 -12.952   6.327
  413    H    THR  54           H        THR  54  -2.634  -8.305   4.078
  414    HA   THR  54           HA       THR  54  -2.798  -6.135   5.775
  415    HB   THR  54           HB       THR  54  -0.425  -7.170   4.213
  416    HG1  THR  54           HG1      THR  54  -1.324  -7.603   6.866
  417   1HG2  THR  54          1HG2      THR  54  -0.295  -5.463   6.677
  418   2HG2  THR  54          2HG2      THR  54  -0.067  -4.839   5.042
  419   3HG2  THR  54          3HG2      THR  54   1.041  -6.051   5.687
  420    H    ILE  55           H        ILE  55  -1.675  -6.159   2.399
  421    HA   ILE  55           HA       ILE  55  -1.134  -3.435   2.163
  422    HB   ILE  55           HB       ILE  55  -2.182  -5.226  -0.024
  423   1HG1  ILE  55          1HG1      ILE  55   0.715  -4.692   0.218
  424   2HG1  ILE  55          2HG1      ILE  55   0.033  -5.729   1.467
  425   1HG2  ILE  55          1HG2      ILE  55  -2.247  -3.065  -0.874
  426   2HG2  ILE  55          2HG2      ILE  55  -0.656  -3.635  -1.376
  427   3HG2  ILE  55          3HG2      ILE  55  -0.811  -2.566   0.019
  428   1HD1  ILE  55          1HD1      ILE  55  -0.920  -6.552  -1.102
  429   2HD1  ILE  55          2HD1      ILE  55   0.023  -7.452   0.086
  430   3HD1  ILE  55          3HD1      ILE  55   0.840  -6.447  -1.111
  431    H    TRP  56           H        TRP  56  -4.118  -5.202   1.320
  432    HA   TRP  56           HA       TRP  56  -5.674  -3.058   0.520
  433   1HB   TRP  56          1HB       TRP  56  -6.572  -5.203   0.171
  434   2HB   TRP  56          2HB       TRP  56  -6.312  -5.685   1.842
  435    HD1  TRP  56           HD1      TRP  56  -8.256  -2.566   0.623
  436    HE1  TRP  56           HE1      TRP  56 -10.661  -2.735   1.544
  437    HE3  TRP  56           HE3      TRP  56  -7.963  -7.160   2.824
  438    HZ2  TRP  56           HZ2      TRP  56 -12.211  -4.554   3.000
  439    HZ3  TRP  56           HZ3      TRP  56  -9.958  -8.051   3.968
  440    HH2  TRP  56           HH2      TRP  56 -12.040  -6.774   4.054
  441    H    ARG  57           H        ARG  57  -5.221  -4.380   3.787
  442    HA   ARG  57           HA       ARG  57  -6.918  -2.763   5.229
  443   1HB   ARG  57          1HB       ARG  57  -4.146  -3.589   6.108
  444   2HB   ARG  57          2HB       ARG  57  -5.495  -3.167   7.153
  445   1HG   ARG  57          1HG       ARG  57  -6.199  -5.303   5.343
  446   2HG   ARG  57          2HG       ARG  57  -4.771  -5.703   6.301
  447   1HD   ARG  57          1HD       ARG  57  -5.921  -5.399   8.333
  448   2HD   ARG  57          2HD       ARG  57  -7.264  -4.578   7.540
  449    HE   ARG  57           HE       ARG  57  -6.914  -7.271   6.635
  450   1HH1  ARG  57          1HH2      ARG  57  -8.300  -5.273   9.128
  451   2HH1  ARG  57          2HH2      ARG  57  -9.522  -6.425   9.551
  452   1HH2  ARG  57          1HH1      ARG  57  -8.521  -8.795   7.186
  453   2HH2  ARG  57          2HH1      ARG  57  -9.648  -8.427   8.448
  454    H    GLY  58           H        GLY  58  -3.641  -2.062   4.123
  455   1HA   GLY  58          2HA       GLY  58  -3.605   0.562   5.311
  456   2HA   GLY  58          1HA       GLY  58  -2.408  -0.103   4.208
  457    H    LEU  59           H        LEU  59  -4.711  -0.824   2.349
  458    HA   LEU  59           HA       LEU  59  -4.696   1.691   0.932
  459   1HB   LEU  59          1HB       LEU  59  -4.918  -1.057   0.236
  460   2HB   LEU  59          2HB       LEU  59  -6.295  -0.196  -0.428
  461    HG   LEU  59           HG       LEU  59  -4.843   1.319  -1.616
  462   1HD1  LEU  59          1HD2      LEU  59  -2.833   1.802  -0.812
  463   2HD1  LEU  59          2HD2      LEU  59  -2.281   0.185  -1.245
  464   3HD1  LEU  59          3HD2      LEU  59  -2.954   0.489   0.356
  465   1HD2  LEU  59          1HD1      LEU  59  -5.257  -1.166  -2.373
  466   2HD2  LEU  59          2HD1      LEU  59  -3.518  -1.305  -2.117
  467   3HD2  LEU  59          3HD1      LEU  59  -4.148  -0.123  -3.262
  468    H    GLN  60           H        GLN  60  -6.850  -0.097   2.936
  469    HA   GLN  60           HA       GLN  60  -9.235   1.283   2.054
  470   1HB   GLN  60          1HB       GLN  60 -10.216   0.351   4.179
  471   2HB   GLN  60          2HB       GLN  60  -9.627  -0.853   3.042
  472   1HG   GLN  60          2HG       GLN  60  -7.621  -1.157   4.355
  473   2HG   GLN  60          1HG       GLN  60  -8.128   0.115   5.466
  474   1HE2  GLN  60          1HE2      GLN  60  -8.837  -3.105   4.288
  475   2HE2  GLN  60          2HE2      GLN  60  -9.756  -3.614   5.659
  476    H    ASP  61           H        ASP  61  -6.465   2.017   3.831
  477    HA   ASP  61           HA       ASP  61  -7.630   3.925   5.630
  478   1HB   ASP  61          1HB       ASP  61  -5.152   2.596   5.378
  479   2HB   ASP  61          2HB       ASP  61  -4.807   4.313   5.165
  480    H    LEU  62           H        LEU  62  -5.993   3.958   2.489
  481    HA   LEU  62           HA       LEU  62  -5.591   6.694   2.173
  482   1HB   LEU  62          1HB       LEU  62  -6.671   5.303  -0.202
  483   2HB   LEU  62          2HB       LEU  62  -5.243   6.302  -0.045
  484    HG   LEU  62           HG       LEU  62  -5.500   3.400   0.691
  485   1HD1  LEU  62          1HD1      LEU  62  -4.564   4.876  -1.662
  486   2HD1  LEU  62          2HD1      LEU  62  -5.155   3.221  -1.519
  487   3HD1  LEU  62          3HD1      LEU  62  -3.485   3.600  -1.099
  488   1HD2  LEU  62          1HD2      LEU  62  -3.059   5.131   0.848
  489   2HD2  LEU  62          2HD2      LEU  62  -3.190   3.422   1.274
  490   3HD2  LEU  62          3HD2      LEU  62  -4.031   4.642   2.238
  491    H    LYS  63           H        LYS  63  -8.491   4.805   2.077
  492    HA   LYS  63           HA       LYS  63 -10.089   6.970   0.996
  493   1HB   LYS  63          2HB       LYS  63 -10.303   4.330   0.677
  494   2HB   LYS  63          1HB       LYS  63 -11.335   4.494   2.089
  495   1HG   LYS  63          2HG       LYS  63 -11.674   5.888  -0.559
  496   2HG   LYS  63          1HG       LYS  63 -12.661   4.571   0.078
  497   1HD   LYS  63          1HD       LYS  63 -14.008   6.213   0.802
  498   2HD   LYS  63          2HD       LYS  63 -12.821   6.395   2.094
  499   1HE   LYS  63          1HE       LYS  63 -12.779   8.539   1.402
  500   2HE   LYS  63          2HE       LYS  63 -11.679   7.907   0.176
  501   1HZ   LYS  63          1HZ       LYS  63 -13.105   8.752  -1.287
  502   2HZ   LYS  63          2HZ       LYS  63 -14.313   8.989  -0.126
  503   3HZ   LYS  63          3HZ       LYS  63 -14.150   7.484  -0.883
  504    H    GLN  64           H        GLN  64 -10.584   4.875   3.846
  505    HA   GLN  64           HA       GLN  64 -11.891   7.124   5.181
  506   1HB   GLN  64          2HB       GLN  64 -12.018   4.181   5.387
  507   2HB   GLN  64          1HB       GLN  64 -12.249   5.086   6.878
  508   1HG   GLN  64          2HG       GLN  64 -13.776   6.399   4.958
  509   2HG   GLN  64          1HG       GLN  64 -14.053   4.679   4.685
  510   1HE2  GLN  64          1HE2      GLN  64 -13.696   6.857   7.468
  511   2HE2  GLN  64          2HE2      GLN  64 -15.064   6.254   8.334
  512    H    GLY  65           H        GLY  65  -9.076   7.073   4.912
  513   1HA   GLY  65          1HA       GLY  65  -8.310   7.006   7.762
  514   2HA   GLY  65          2HA       GLY  65  -7.211   6.471   6.503
  515    H    HIS  66           H        HIS  66  -8.821   9.021   5.192
  516    HA   HIS  66           HA       HIS  66  -7.097  11.061   6.386
  517   1HB   HIS  66          1HB       HIS  66  -6.936  10.013   3.626
  518   2HB   HIS  66          2HB       HIS  66  -6.910  11.767   3.773
  519    HD1  HIS  66           HD1      HIS  66  -4.996   8.718   4.929
  520    HD2  HIS  66           HD2      HIS  66  -4.516  12.831   4.575
  521    HE1  HIS  66           HE1      HIS  66  -2.573   9.159   5.439
  522    HE2  HIS  66           HE2      HIS  66  -2.305  11.654   5.219
  523    H    ASP  67           H        ASP  67  -8.208  12.857   6.802
  524    HA   ASP  67           HA       ASP  67  -9.881  14.260   5.177
  525   1HB   ASP  67          2HB       ASP  67 -12.139  13.665   6.283
  526   2HB   ASP  67          1HB       ASP  67 -11.529  12.596   5.022
  527    H    TYR  68           HN       TYR  68 -10.658  16.096   6.147
  528    HA   TYR  68           HA       TYR  68  -9.409  17.255   8.225
  529   1HB   TYR  68          2HB       TYR  68 -12.047  17.647   6.961
  530   2HB   TYR  68          1HB       TYR  68 -11.858  18.384   8.549
  531    HD1  TYR  68           HD1      TYR  68  -9.875  18.069   5.389
  532    HD2  TYR  68           HD2      TYR  68 -11.173  20.577   8.571
  533    HE1  TYR  68           HE1      TYR  68  -8.697  19.969   4.365
  534    HE2  TYR  68           HE2      TYR  68  -9.999  22.484   7.556
  535    HH   TYR  68           HH       TYR  68  -7.871  22.653   5.877
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1  12.006  21.611  -6.816
    2   2H    TYR   1          2H        TYR   1  10.785  22.592  -6.113
    3   3H    TYR   1          3H        TYR   1  10.394  21.527  -7.400
    4    HA   TYR   1           HA       TYR   1  11.322  19.752  -5.810
    5   1HB   TYR   1          1HB       TYR   1  10.240  21.783  -3.858
    6   2HB   TYR   1          2HB       TYR   1  11.086  20.280  -3.506
    7    HD1  TYR   1           HD1      TYR   1  13.510  20.141  -3.691
    8    HD2  TYR   1           HD2      TYR   1  11.457  23.780  -4.490
    9    HE1  TYR   1           HE1      TYR   1  15.637  21.365  -3.553
   10    HE2  TYR   1           HE2      TYR   1  13.579  25.015  -4.354
   11    HH   TYR   1           HH       TYR   1  15.789  24.776  -3.396
   12    H    HIS   2           H        HIS   2   9.763  18.302  -6.066
   13    HA   HIS   2           HA       HIS   2   7.117  18.670  -5.130
   14   1HB   HIS   2          1HB       HIS   2   5.973  18.489  -7.353
   15   2HB   HIS   2          2HB       HIS   2   6.791  20.026  -7.089
   16    HD1  HIS   2           HD1      HIS   2   6.173  18.035  -9.777
   17    HD2  HIS   2           HD2      HIS   2   9.744  19.408  -8.154
   18    HE1  HIS   2           HE1      HIS   2   7.851  17.912 -11.646
   19    HE2  HIS   2           HE2      HIS   2  10.007  18.748 -10.642
   20    H    ALA   3           H        ALA   3   6.399  16.729  -4.569
   21    HA   ALA   3           HA       ALA   3   6.613  14.416  -6.199
   22   1HB   ALA   3          1HB       ALA   3   8.130  13.842  -3.763
   23   2HB   ALA   3          2HB       ALA   3   8.948  14.922  -4.892
   24   3HB   ALA   3          3HB       ALA   3   8.412  13.329  -5.427
   25    H    ASP   4           H        ASP   4   6.033  12.390  -4.823
   26    HA   ASP   4           HA       ASP   4   4.118  13.168  -2.725
   27   1HB   ASP   4          1HB       ASP   4   3.687  11.116  -4.909
   28   2HB   ASP   4          2HB       ASP   4   2.582  11.418  -3.571
   29    HA   PRO   5           HA       PRO   5   7.267   9.979  -1.246
   30   1HB   PRO   5          1HB       PRO   5   6.733  11.582   1.204
   31   2HB   PRO   5          2HB       PRO   5   8.264  10.962   0.575
   32   1HG   PRO   5          2HG       PRO   5   7.644  13.545   0.356
   33   2HG   PRO   5          1HG       PRO   5   8.490  12.694  -0.949
   34   1HD   PRO   5          2HD       PRO   5   5.628  13.526  -0.767
   35   2HD   PRO   5          1HD       PRO   5   6.705  13.479  -2.177
   36    H    SER   6           H        SER   6   4.260  11.247   0.101
   37    HA   SER   6           HA       SER   6   3.760   9.121   1.890
   38   1HB   SER   6          2HB       SER   6   2.382  11.494   0.963
   39   2HB   SER   6          1HB       SER   6   1.267  10.135   1.103
   40    HG   SER   6           HG       SER   6   1.719  11.510   3.048
   41    H    LEU   7           H        LEU   7   4.397   7.351   0.414
   42    HA   LEU   7           HA       LEU   7   2.128   5.955  -0.507
   43   1HB   LEU   7          1HB       LEU   7   2.199   7.441  -2.399
   44   2HB   LEU   7          2HB       LEU   7   3.912   7.151  -2.624
   45    HG   LEU   7           HG       LEU   7   2.279   5.997  -4.228
   46   1HD1  LEU   7          1HD1      LEU   7   3.808   4.334  -4.625
   47   2HD1  LEU   7          2HD1      LEU   7   4.066   4.008  -2.913
   48   3HD1  LEU   7          3HD1      LEU   7   4.767   5.449  -3.651
   49   1HD2  LEU   7          1HD2      LEU   7   1.953   4.184  -1.842
   50   2HD2  LEU   7          2HD2      LEU   7   1.353   3.881  -3.472
   51   3HD2  LEU   7          3HD2      LEU   7   0.699   5.218  -2.527
   52    H    VAL   8           H        VAL   8   5.506   6.148  -1.649
   53    HA   VAL   8           HA       VAL   8   5.924   3.383  -1.721
   54    HB   VAL   8           HB       VAL   8   8.302   3.864  -1.850
   55   1HG1  VAL   8          1HG1      VAL   8   6.806   6.007  -3.345
   56   2HG1  VAL   8          2HG1      VAL   8   6.785   4.302  -3.796
   57   3HG1  VAL   8          3HG1      VAL   8   8.301   5.202  -3.821
   58   1HG2  VAL   8          1HG2      VAL   8   7.523   6.653  -1.010
   59   2HG2  VAL   8          2HG2      VAL   8   9.112   6.197  -1.623
   60   3HG2  VAL   8          3HG2      VAL   8   8.521   5.512  -0.109
   61    H    SER   9           H        SER   9   6.614   5.752   0.823
   62    HA   SER   9           HA       SER   9   7.965   4.079   2.593
   63   1HB   SER   9          2HB       SER   9   8.091   6.284   3.243
   64   2HB   SER   9          1HB       SER   9   6.398   6.604   2.869
   65    HG   SER   9           HG       SER   9   7.357   6.222   5.218
   66    H    PHE  10           H        PHE  10   4.530   4.501   2.018
   67    HA   PHE  10           HA       PHE  10   3.776   2.868   4.279
   68   1HB   PHE  10          2HB       PHE  10   2.485   4.792   2.732
   69   2HB   PHE  10          1HB       PHE  10   1.691   3.284   2.288
   70    HD1  PHE  10           HD1      PHE  10   1.972   1.883   4.950
   71    HD2  PHE  10           HD2      PHE  10   0.746   5.826   3.925
   72    HE1  PHE  10           HE1      PHE  10   0.618   1.990   7.002
   73    HE2  PHE  10           HE2      PHE  10  -0.611   5.941   5.974
   74    HZ   PHE  10           HZ       PHE  10  -0.677   4.022   7.516
   75    H    LEU  11           H        LEU  11   3.828   2.541   0.748
   76    HA   LEU  11           HA       LEU  11   2.618   0.115   0.395
   77   1HB   LEU  11          2HB       LEU  11   3.707   1.692  -1.320
   78   2HB   LEU  11          1HB       LEU  11   5.185   0.802  -1.009
   79    HG   LEU  11           HG       LEU  11   3.903   0.065  -3.036
   80   1HD1  LEU  11          1HD1      LEU  11   3.946  -2.252  -1.183
   81   2HD1  LEU  11          2HD1      LEU  11   5.448  -1.361  -1.427
   82   3HD1  LEU  11          3HD1      LEU  11   4.618  -2.083  -2.804
   83   1HD2  LEU  11          1HD2      LEU  11   1.883  -1.154  -2.818
   84   2HD2  LEU  11          2HD2      LEU  11   1.661   0.353  -1.930
   85   3HD2  LEU  11          3HD2      LEU  11   1.987  -1.144  -1.057
   86    H    THR  12           H        THR  12   6.082   0.602   1.010
   87    HA   THR  12           HA       THR  12   6.600  -2.183   1.361
   88    HB   THR  12           HB       THR  12   8.257   0.229   2.129
   89    HG1  THR  12           HG1      THR  12   7.859   0.069  -0.107
   90   1HG2  THR  12          1HG2      THR  12   9.960  -1.855   1.516
   91   2HG2  THR  12          2HG2      THR  12   8.727  -2.584   2.546
   92   3HG2  THR  12          3HG2      THR  12   9.637  -1.185   3.116
   93    H    GLY  13           H        GLY  13   6.369   0.582   3.589
   94   1HA   GLY  13          2HA       GLY  13   6.895  -0.681   5.985
   95   2HA   GLY  13          1HA       GLY  13   5.787   0.672   5.811
   96    H    LEU  14           H        LEU  14   4.023  -0.873   4.021
   97    HA   LEU  14           HA       LEU  14   2.256  -1.904   5.951
   98   1HB   LEU  14          2HB       LEU  14   2.197  -1.209   3.252
   99   2HB   LEU  14          1HB       LEU  14   1.846  -2.919   3.261
  100    HG   LEU  14           HG       LEU  14  -0.122  -2.619   4.540
  101   1HD1  LEU  14          1HD2      LEU  14  -0.660  -0.152   5.246
  102   2HD1  LEU  14          2HD2      LEU  14   1.096   0.014   5.221
  103   3HD1  LEU  14          3HD2      LEU  14   0.339  -1.183   6.270
  104   1HD2  LEU  14          1HD1      LEU  14   0.028  -1.706   2.089
  105   2HD2  LEU  14          2HD1      LEU  14  -0.247  -0.152   2.874
  106   3HD2  LEU  14          3HD1      LEU  14  -1.427  -1.449   3.056
  107    H    GLY  15           H        GLY  15   4.992  -3.280   4.463
  108   1HA   GLY  15          1HA       GLY  15   5.744  -5.394   5.485
  109   2HA   GLY  15          2HA       GLY  15   4.097  -5.970   5.281
  110    H    CYS  16           H        CYS  16   5.155  -4.050   2.681
  111    HA   CYS  16           HA       CYS  16   5.706  -6.485   1.113
  112   1HB   CYS  16          2HB       CYS  16   4.157  -4.008   0.509
  113   2HB   CYS  16          1HB       CYS  16   5.012  -4.792  -0.815
  114    HG   CYS  16           HG       CYS  16   2.885  -6.340   0.841
  115    HA   PRO  17           HA       PRO  17   9.501  -3.734   1.020
  116   1HB   PRO  17          1HB       PRO  17  11.275  -5.594   1.867
  117   2HB   PRO  17          2HB       PRO  17  10.355  -4.581   2.985
  118   1HG   PRO  17          2HG       PRO  17   9.844  -7.404   2.125
  119   2HG   PRO  17          1HG       PRO  17   9.748  -6.696   3.748
  120   1HD   PRO  17          2HD       PRO  17   7.558  -7.142   2.209
  121   2HD   PRO  17          1HD       PRO  17   7.659  -5.806   3.372
  122    H    ASN  18           H        ASN  18   8.601  -6.848  -0.204
  123    HA   ASN  18           HA       ASN  18  10.419  -6.440  -2.478
  124   1HB   ASN  18          1HB       ASN  18  10.226  -8.739  -0.682
  125   2HB   ASN  18          2HB       ASN  18  10.049  -9.181  -2.377
  126   1HD2  ASN  18          1HD2      ASN  18  11.698  -7.753  -3.760
  127   2HD2  ASN  18          2HD2      ASN  18  13.331  -7.891  -3.216
  128    H    CYS  19           H        CYS  19   7.504  -5.886  -1.915
  129    HA   CYS  19           HA       CYS  19   6.347  -7.524  -4.065
  130   1HB   CYS  19          1HB       CYS  19   5.384  -7.006  -1.485
  131   2HB   CYS  19          2HB       CYS  19   4.396  -6.014  -2.552
  132    HG   CYS  19           HG       CYS  19   3.114  -8.061  -2.917
  133    H    ILE  20           H        ILE  20   6.987  -4.302  -2.927
  134    HA   ILE  20           HA       ILE  20   5.363  -2.733  -4.491
  135    HB   ILE  20           HB       ILE  20   6.899  -1.793  -2.847
  136   1HG1  ILE  20          1HG1      ILE  20   8.001  -0.403  -5.163
  137   2HG1  ILE  20          2HG1      ILE  20   6.274  -0.707  -5.331
  138   1HG2  ILE  20          1HG2      ILE  20   9.204  -1.824  -3.015
  139   2HG2  ILE  20          2HG2      ILE  20   9.175  -2.108  -4.756
  140   3HG2  ILE  20          3HG2      ILE  20   8.763  -3.413  -3.642
  141   1HD1  ILE  20          1HD1      ILE  20   5.858   0.416  -3.218
  142   2HD1  ILE  20          2HD1      ILE  20   6.713   1.470  -4.346
  143   3HD1  ILE  20          3HD1      ILE  20   7.588   0.700  -3.021
  144    H    GLU  21           H        GLU  21   8.283  -4.462  -5.430
  145    HA   GLU  21           HA       GLU  21   8.731  -3.306  -7.924
  146   1HB   GLU  21          1HB       GLU  21   9.745  -5.564  -8.503
  147   2HB   GLU  21          2HB       GLU  21  10.394  -4.760  -7.080
  148   1HG   GLU  21          1HG       GLU  21   8.336  -6.304  -6.078
  149   2HG   GLU  21          2HG       GLU  21   9.060  -7.318  -7.326
  150    H    TYR  22           H        TYR  22   6.630  -6.004  -7.006
  151    HA   TYR  22           HA       TYR  22   5.724  -6.507  -9.670
  152   1HB   TYR  22          1HB       TYR  22   4.434  -7.291  -7.045
  153   2HB   TYR  22          2HB       TYR  22   4.090  -7.989  -8.625
  154    HD1  TYR  22           HD1      TYR  22   5.423  -9.736  -9.504
  155    HD2  TYR  22           HD2      TYR  22   6.687  -7.671  -6.006
  156    HE1  TYR  22           HE1      TYR  22   7.169 -11.431  -9.142
  157    HE2  TYR  22           HE2      TYR  22   8.435  -9.358  -5.634
  158    HH   TYR  22           HH       TYR  22   9.635 -11.038  -6.718
  159    H    PHE  23           H        PHE  23   4.590  -4.602  -6.949
  160    HA   PHE  23           HA       PHE  23   2.062  -3.935  -8.051
  161   1HB   PHE  23          1HB       PHE  23   3.750  -2.862  -5.815
  162   2HB   PHE  23          2HB       PHE  23   2.322  -1.974  -6.334
  163    HD1  PHE  23           HD1      PHE  23   3.551  -4.595  -4.290
  164    HD2  PHE  23           HD2      PHE  23   0.104  -3.269  -6.403
  165    HE1  PHE  23           HE1      PHE  23   2.141  -6.047  -2.891
  166    HE2  PHE  23           HE2      PHE  23  -1.312  -4.718  -5.010
  167    HZ   PHE  23           HZ       PHE  23  -0.295  -6.111  -3.251
  168    H    THR  24           H        THR  24   5.144  -2.155  -7.857
  169    HA   THR  24           HA       THR  24   4.422   0.192  -9.091
  170    HB   THR  24           HB       THR  24   6.786   0.367  -9.825
  171    HG1  THR  24           HG1      THR  24   6.817  -2.349  -9.050
  172   1HG2  THR  24          1HG2      THR  24   7.354   0.929  -7.773
  173   2HG2  THR  24          2HG2      THR  24   7.407  -0.763  -7.277
  174   3HG2  THR  24          3HG2      THR  24   5.891   0.136  -7.189
  175    H    SER  25           H        SER  25   5.229  -2.895 -10.602
  176    HA   SER  25           HA       SER  25   5.441  -2.121 -13.247
  177   1HB   SER  25          1HB       SER  25   5.384  -4.530 -11.900
  178   2HB   SER  25          2HB       SER  25   3.945  -4.618 -12.917
  179    HG   SER  25           HG       SER  25   6.232  -5.232 -13.731
  180    H    GLN  26           H        GLN  26   2.642  -2.176 -11.237
  181    HA   GLN  26           HA       GLN  26   0.854  -1.939 -13.543
  182   1HB   GLN  26          2HB       GLN  26  -0.176  -1.859 -10.747
  183   2HB   GLN  26          1HB       GLN  26  -0.889  -2.579 -12.182
  184   1HG   GLN  26          2HG       GLN  26   1.556  -3.748 -10.910
  185   2HG   GLN  26          1HG       GLN  26  -0.062  -4.127 -10.326
  186   1HE2  GLN  26          2HE2      GLN  26   1.657  -6.053 -11.323
  187   2HE2  GLN  26          1HE2      GLN  26   1.003  -6.676 -12.795
  188    H    GLY  27           H        GLY  27   2.336  -0.079 -11.040
  189   1HA   GLY  27          1HA       GLY  27   2.453   2.341 -11.510
  190   2HA   GLY  27          2HA       GLY  27   0.737   2.259 -11.879
  191    H    LEU  28           H        LEU  28   2.572   0.847  -9.190
  192    HA   LEU  28           HA       LEU  28   0.702   2.139  -7.344
  193   1HB   LEU  28          1HB       LEU  28   1.985  -0.421  -7.445
  194   2HB   LEU  28          2HB       LEU  28   2.441   0.387  -5.959
  195    HG   LEU  28           HG       LEU  28   0.402  -1.120  -5.852
  196   1HD1  LEU  28          1HD2      LEU  28   0.370   0.102  -3.971
  197   2HD1  LEU  28          2HD2      LEU  28  -0.927   0.991  -4.768
  198   3HD1  LEU  28          3HD2      LEU  28   0.726   1.605  -4.823
  199   1HD2  LEU  28          1HD1      LEU  28  -0.462  -0.164  -8.076
  200   2HD2  LEU  28          2HD1      LEU  28  -1.060   1.179  -7.101
  201   3HD2  LEU  28          3HD1      LEU  28  -1.627  -0.462  -6.785
  202    H    GLN  29           H        GLN  29   2.665   3.762  -8.517
  203    HA   GLN  29           HA       GLN  29   4.620   4.198  -6.378
  204   1HB   GLN  29          1HB       GLN  29   5.829   5.578  -7.908
  205   2HB   GLN  29          2HB       GLN  29   5.383   4.111  -8.769
  206   1HG   GLN  29          2HG       GLN  29   3.373   5.444  -9.619
  207   2HG   GLN  29          1HG       GLN  29   4.244   6.867  -9.049
  208   1HE2  GLN  29          2HE2      GLN  29   3.615   5.132 -11.701
  209   2HE2  GLN  29          1HE2      GLN  29   5.041   5.441 -12.626
  210    H    SER  30           H        SER  30   1.771   5.501  -7.852
  211    HA   SER  30           HA       SER  30   1.910   7.853  -6.086
  212   1HB   SER  30          2HB       SER  30  -0.121   7.813  -8.234
  213   2HB   SER  30          1HB       SER  30   0.913   9.131  -7.686
  214    HG   SER  30           HG       SER  30   1.250   7.995  -9.874
  215    H    ILE  31           H        ILE  31   0.863   7.367  -4.253
  216    HA   ILE  31           HA       ILE  31  -0.933   5.397  -3.768
  217    HB   ILE  31           HB       ILE  31   0.107   7.019  -2.100
  218   1HG1  ILE  31          1HG1      ILE  31  -2.507   6.782  -0.985
  219   2HG1  ILE  31          2HG1      ILE  31  -2.224   5.382  -2.018
  220   1HG2  ILE  31          1HG2      ILE  31  -0.879   9.064  -3.110
  221   2HG2  ILE  31          2HG2      ILE  31  -1.186   8.902  -1.381
  222   3HG2  ILE  31          3HG2      ILE  31  -2.460   8.527  -2.543
  223   1HD1  ILE  31          1HD1      ILE  31   0.125   5.659  -0.580
  224   2HD1  ILE  31          2HD1      ILE  31  -1.156   4.477  -0.308
  225   3HD1  ILE  31          3HD1      ILE  31  -1.155   5.999   0.585
  226    H    TYR  32           H        TYR  32  -1.559   8.421  -5.352
  227    HA   TYR  32           HA       TYR  32  -4.327   8.588  -5.171
  228   1HB   TYR  32          1HB       TYR  32  -2.435   9.372  -7.390
  229   2HB   TYR  32          2HB       TYR  32  -4.156   9.742  -7.431
  230    HD1  TYR  32           HD1      TYR  32  -0.932  10.624  -6.015
  231    HD2  TYR  32           HD2      TYR  32  -5.125  11.312  -5.784
  232    HE1  TYR  32           HE1      TYR  32  -0.519  12.676  -4.725
  233    HE2  TYR  32           HE2      TYR  32  -4.722  13.366  -4.493
  234    HH   TYR  32           HH       TYR  32  -2.477  14.110  -2.873
  235    H    HIS  33           H        HIS  33  -2.348   6.326  -6.852
  236    HA   HIS  33           HA       HIS  33  -4.429   5.487  -8.683
  237   1HB   HIS  33          2HB       HIS  33  -1.758   5.393  -8.889
  238   2HB   HIS  33          1HB       HIS  33  -2.029   3.793  -8.205
  239    HD1  HIS  33           HD1      HIS  33  -3.158   5.879 -11.169
  240    HD2  HIS  33           HD2      HIS  33  -2.747   1.906 -10.025
  241    HE1  HIS  33           HE1      HIS  33  -3.672   4.530 -13.228
  242    HE2  HIS  33           HE2      HIS  33  -3.418   2.128 -12.513
  243    H    LEU  34           H        LEU  34  -3.259   4.651  -5.536
  244    HA   LEU  34           HA       LEU  34  -4.936   2.238  -5.523
  245   1HB   LEU  34          2HB       LEU  34  -3.629   1.883  -3.298
  246   2HB   LEU  34          1HB       LEU  34  -2.891   1.500  -4.837
  247    HG   LEU  34           HG       LEU  34  -2.454   4.202  -3.615
  248   1HD1  LEU  34          1HD1      LEU  34  -1.596   3.208  -1.797
  249   2HD1  LEU  34          2HD1      LEU  34  -0.239   2.830  -2.858
  250   3HD1  LEU  34          3HD1      LEU  34  -1.501   1.630  -2.577
  251   1HD2  LEU  34          1HD2      LEU  34  -1.357   2.593  -5.796
  252   2HD2  LEU  34          2HD2      LEU  34  -0.132   3.341  -4.770
  253   3HD2  LEU  34          3HD2      LEU  34  -1.351   4.340  -5.557
  254    H    GLN  35           H        GLN  35  -5.623   5.172  -5.110
  255    HA   GLN  35           HA       GLN  35  -6.322   5.671  -2.451
  256   1HB   GLN  35          1HB       GLN  35  -7.102   6.678  -5.128
  257   2HB   GLN  35          2HB       GLN  35  -8.239   6.999  -3.822
  258   1HG   GLN  35          2HG       GLN  35  -5.448   7.592  -3.197
  259   2HG   GLN  35          1HG       GLN  35  -6.142   8.558  -4.498
  260   1HE2  GLN  35          2HE2      GLN  35  -6.380   7.708  -1.123
  261   2HE2  GLN  35          1HE2      GLN  35  -7.361   9.049  -0.650
  262    H    ASN  36           H        ASN  36  -8.087   4.206  -5.085
  263    HA   ASN  36           HA       ASN  36 -10.298   3.540  -3.283
  264   1HB   ASN  36          2HB       ASN  36 -11.381   2.920  -5.588
  265   2HB   ASN  36          1HB       ASN  36 -11.214   4.596  -5.101
  266   1HD2  ASN  36          2HD2      ASN  36  -9.490   5.817  -5.919
  267   2HD2  ASN  36          1HD2      ASN  36  -8.833   5.463  -7.472
  268    H    LEU  37           H        LEU  37  -7.678   2.108  -4.906
  269    HA   LEU  37           HA       LEU  37  -8.441  -0.386  -5.624
  270   1HB   LEU  37          2HB       LEU  37  -6.058   0.683  -5.429
  271   2HB   LEU  37          1HB       LEU  37  -6.019  -0.149  -3.889
  272    HG   LEU  37           HG       LEU  37  -6.436  -2.290  -5.052
  273   1HD1  LEU  37          1HD1      LEU  37  -7.587  -1.752  -6.997
  274   2HD1  LEU  37          2HD1      LEU  37  -5.985  -2.214  -7.575
  275   3HD1  LEU  37          3HD1      LEU  37  -6.423  -0.509  -7.457
  276   1HD2  LEU  37          1HD2      LEU  37  -4.134  -1.357  -4.569
  277   2HD2  LEU  37          2HD2      LEU  37  -4.067  -0.907  -6.274
  278   3HD2  LEU  37          3HD2      LEU  37  -4.234  -2.603  -5.814
  279    H    THR  38           H        THR  38  -8.520  -2.451  -4.628
  280    HA   THR  38           HA       THR  38  -8.896  -2.495  -1.721
  281    HB   THR  38           HB       THR  38 -10.835  -4.175  -3.123
  282    HG1  THR  38           HG1      THR  38 -12.086  -2.572  -3.949
  283   1HG2  THR  38          1HG2      THR  38 -10.786  -2.354  -0.802
  284   2HG2  THR  38          2HG2      THR  38 -11.449  -3.979  -0.967
  285   3HG2  THR  38          3HG2      THR  38 -12.338  -2.596  -1.605
  286    H    ILE  39           H        ILE  39  -9.417  -4.938  -1.120
  287    HA   ILE  39           HA       ILE  39  -7.148  -6.468  -1.815
  288    HB   ILE  39           HB       ILE  39  -8.437  -6.764   0.292
  289   1HG1  ILE  39          1HG1      ILE  39  -8.390  -9.303   0.224
  290   2HG1  ILE  39          2HG1      ILE  39  -8.005  -9.164  -1.489
  291   1HG2  ILE  39          1HG2      ILE  39 -10.680  -6.618  -0.758
  292   2HG2  ILE  39          2HG2      ILE  39 -10.492  -7.992   0.333
  293   3HG2  ILE  39          3HG2      ILE  39 -10.431  -8.237  -1.412
  294   1HD1  ILE  39          1HD1      ILE  39  -6.249  -7.515   0.074
  295   2HD1  ILE  39          2HD1      ILE  39  -5.868  -8.827  -1.041
  296   3HD1  ILE  39          3HD1      ILE  39  -6.227  -9.182   0.649
  297    H    GLU  40           H        GLU  40 -10.392  -6.227  -3.021
  298    HA   GLU  40           HA       GLU  40 -10.572  -8.519  -4.576
  299   1HB   GLU  40          1HB       GLU  40 -11.709  -5.777  -5.146
  300   2HB   GLU  40          2HB       GLU  40 -12.224  -7.269  -5.922
  301   1HG   GLU  40          2HG       GLU  40 -12.308  -7.100  -2.955
  302   2HG   GLU  40          1HG       GLU  40 -13.540  -6.256  -3.892
  303    H    ASP  41           H        ASP  41  -9.290  -5.319  -5.418
  304    HA   ASP  41           HA       ASP  41  -8.455  -6.223  -8.036
  305   1HB   ASP  41          2HB       ASP  41  -8.638  -3.652  -6.617
  306   2HB   ASP  41          1HB       ASP  41  -7.246  -3.791  -7.686
  307    H    LEU  42           H        LEU  42  -7.045  -5.694  -4.888
  308    HA   LEU  42           HA       LEU  42  -4.347  -5.561  -5.431
  309   1HB   LEU  42          2HB       LEU  42  -5.861  -6.903  -3.204
  310   2HB   LEU  42          1HB       LEU  42  -4.114  -6.907  -3.245
  311    HG   LEU  42           HG       LEU  42  -5.829  -4.953  -2.138
  312   1HD1  LEU  42          1HD2      LEU  42  -2.851  -4.937  -2.562
  313   2HD1  LEU  42          2HD2      LEU  42  -3.708  -5.714  -1.231
  314   3HD1  LEU  42          3HD2      LEU  42  -3.741  -3.959  -1.396
  315   1HD2  LEU  42          1HD1      LEU  42  -5.738  -4.030  -4.549
  316   2HD2  LEU  42          2HD1      LEU  42  -4.077  -3.600  -4.148
  317   3HD2  LEU  42          3HD1      LEU  42  -5.412  -2.942  -3.203
  318    H    GLY  43           H        GLY  43  -6.345  -8.466  -5.039
  319   1HA   GLY  43          1HA       GLY  43  -4.228 -10.283  -5.678
  320   2HA   GLY  43          2HA       GLY  43  -5.937 -10.674  -5.570
  321    H    ALA  44           H        ALA  44  -6.316  -8.334  -7.560
  322    HA   ALA  44           HA       ALA  44  -6.547  -9.908  -9.884
  323   1HB   ALA  44          1HB       ALA  44  -7.834  -7.811  -9.344
  324   2HB   ALA  44          2HB       ALA  44  -7.223  -7.923 -10.994
  325   3HB   ALA  44          3HB       ALA  44  -6.398  -6.903  -9.815
  326    H    LEU  45           H        LEU  45  -4.079  -7.690  -8.723
  327    HA   LEU  45           HA       LEU  45  -2.498  -7.366 -10.945
  328   1HB   LEU  45          2HB       LEU  45  -1.873  -7.618  -8.026
  329   2HB   LEU  45          1HB       LEU  45  -0.592  -7.390  -9.196
  330    HG   LEU  45           HG       LEU  45  -1.563  -5.272  -9.893
  331   1HD1  LEU  45          1HD2      LEU  45  -3.485  -4.322  -8.701
  332   2HD1  LEU  45          2HD2      LEU  45  -3.693  -5.849  -7.846
  333   3HD1  LEU  45          3HD2      LEU  45  -3.909  -5.781  -9.595
  334   1HD2  LEU  45          1HD1      LEU  45  -1.172  -3.994  -7.875
  335   2HD2  LEU  45          2HD1      LEU  45  -0.003  -5.309  -7.989
  336   3HD2  LEU  45          3HD1      LEU  45  -1.378  -5.444  -6.892
  337    H    LYS  46           H        LYS  46  -2.950 -10.166  -8.987
  338    HA   LYS  46           HA       LYS  46  -2.491 -12.356  -9.437
  339   1HB   LYS  46          1HB       LYS  46  -1.734 -13.063 -11.456
  340   2HB   LYS  46          2HB       LYS  46  -2.135 -11.414 -11.903
  341   1HG   LYS  46          2HG       LYS  46  -0.086 -11.262 -12.722
  342   2HG   LYS  46          1HG       LYS  46   0.498 -11.243 -11.059
  343   1HD   LYS  46          2HD       LYS  46   1.693 -12.938 -12.273
  344   2HD   LYS  46          1HD       LYS  46   0.602 -13.732 -11.136
  345   1HE   LYS  46          2HE       LYS  46  -0.888 -14.359 -12.831
  346   2HE   LYS  46          1HE       LYS  46  -0.195 -13.217 -13.980
  347   1HZ   LYS  46          1HZ       LYS  46   0.443 -15.527 -14.432
  348   2HZ   LYS  46          2HZ       LYS  46   1.210 -15.611 -12.925
  349   3HZ   LYS  46          3HZ       LYS  46   1.785 -14.549 -14.110
  350    H    ILE  47           H        ILE  47  -0.973 -10.313  -7.812
  351    HA   ILE  47           HA       ILE  47   1.683 -11.465  -7.623
  352    HB   ILE  47           HB       ILE  47   0.545  -9.546  -5.618
  353   1HG1  ILE  47          2HG1      ILE  47   1.693  -8.799  -8.320
  354   2HG1  ILE  47          1HG1      ILE  47   0.003  -8.642  -7.854
  355   1HG2  ILE  47          1HG2      ILE  47   3.304  -9.992  -6.744
  356   2HG2  ILE  47          2HG2      ILE  47   2.724 -10.481  -5.153
  357   3HG2  ILE  47          3HG2      ILE  47   2.881  -8.770  -5.546
  358   1HD1  ILE  47          1HD1      ILE  47   2.138  -7.273  -6.279
  359   2HD1  ILE  47          2HD1      ILE  47   0.426  -6.874  -6.432
  360   3HD1  ILE  47          3HD1      ILE  47   1.525  -6.572  -7.777
  361    HA   PRO  48           HA       PRO  48   0.841 -14.804  -4.844
  362   1HB   PRO  48          2HB       PRO  48   3.169 -13.608  -3.384
  363   2HB   PRO  48          1HB       PRO  48   2.843 -15.301  -3.781
  364   1HG   PRO  48          2HG       PRO  48   4.574 -13.871  -5.222
  365   2HG   PRO  48          1HG       PRO  48   3.491 -15.043  -5.993
  366   1HD   PRO  48          2HD       PRO  48   3.402 -12.080  -6.029
  367   2HD   PRO  48          1HD       PRO  48   2.799 -13.244  -7.225
  368    H    GLU  49           H        GLU  49  -0.405 -15.050  -3.071
  369    HA   GLU  49           HA       GLU  49  -1.371 -12.720  -1.727
  370   1HB   GLU  49          2HB       GLU  49  -2.766 -14.727  -2.281
  371   2HB   GLU  49          1HB       GLU  49  -1.895 -15.615  -1.039
  372   1HG   GLU  49          2HG       GLU  49  -2.805 -14.321   0.685
  373   2HG   GLU  49          1HG       GLU  49  -3.346 -13.066  -0.428
  374    H    GLN  50           H        GLN  50   1.059 -12.363  -1.081
  375    HA   GLN  50           HA       GLN  50   1.831 -13.782   1.326
  376   1HB   GLN  50          1HB       GLN  50   3.169 -11.342   0.163
  377   2HB   GLN  50          2HB       GLN  50   3.869 -12.557   1.223
  378   1HG   GLN  50          2HG       GLN  50   4.342 -13.945  -0.470
  379   2HG   GLN  50          1HG       GLN  50   2.835 -13.598  -1.314
  380   1HE2  GLN  50          2HE2      GLN  50   5.635 -13.799  -2.238
  381   2HE2  GLN  50          1HE2      GLN  50   5.950 -12.315  -3.059
  382    H    TYR  51           H        TYR  51   1.062 -10.421   0.441
  383    HA   TYR  51           HA       TYR  51  -0.034 -10.025   3.126
  384   1HB   TYR  51          1HB       TYR  51   1.618  -7.824   1.944
  385   2HB   TYR  51          2HB       TYR  51   1.229  -8.146   3.631
  386    HD1  TYR  51           HD1      TYR  51   2.619  -9.548   4.974
  387    HD2  TYR  51           HD2      TYR  51   3.387  -9.140   0.810
  388    HE1  TYR  51           HE1      TYR  51   4.804 -10.636   5.277
  389    HE2  TYR  51           HE2      TYR  51   5.573 -10.227   1.100
  390    HH   TYR  51           HH       TYR  51   7.198 -10.663   2.826
  391    H    ARG  52           H        ARG  52  -1.333 -10.448   0.629
  392    HA   ARG  52           HA       ARG  52  -2.127  -8.109  -0.678
  393   1HB   ARG  52          2HB       ARG  52  -2.680 -10.825  -0.880
  394   2HB   ARG  52          1HB       ARG  52  -4.238 -10.106  -0.499
  395   1HG   ARG  52          2HG       ARG  52  -4.425  -9.140  -2.517
  396   2HG   ARG  52          1HG       ARG  52  -2.715  -8.704  -2.578
  397   1HD   ARG  52          1HD       ARG  52  -2.915 -10.270  -4.277
  398   2HD   ARG  52          2HD       ARG  52  -2.316 -11.226  -2.922
  399    HE   ARG  52           HE       ARG  52  -5.067 -11.377  -2.803
  400   1HH1  ARG  52          2HH1      ARG  52  -2.567 -12.230  -5.071
  401   2HH1  ARG  52          1HH1      ARG  52  -3.450 -13.560  -5.743
  402   1HH2  ARG  52          2HH2      ARG  52  -6.239 -13.124  -3.677
  403   2HH2  ARG  52          1HH2      ARG  52  -5.540 -14.070  -4.950
  404    H    MET  53           H        MET  53  -3.786  -9.900   1.923
  405    HA   MET  53           HA       MET  53  -5.909  -8.101   2.241
  406   1HB   MET  53          2HB       MET  53  -5.943  -9.100   4.637
  407   2HB   MET  53          1HB       MET  53  -6.258 -10.157   3.268
  408   1HG   MET  53          2HG       MET  53  -4.165 -11.171   3.414
  409   2HG   MET  53          1HG       MET  53  -3.507  -9.877   4.414
  410   1HE   MET  53          1HE       MET  53  -3.652  -9.616   6.760
  411   2HE   MET  53          2HE       MET  53  -2.671 -11.080   6.706
  412   3HE   MET  53          3HE       MET  53  -3.980 -10.939   7.879
  413    H    THR  54           H        THR  54  -2.719  -8.220   3.764
  414    HA   THR  54           HA       THR  54  -3.101  -6.186   5.653
  415    HB   THR  54           HB       THR  54  -0.598  -7.054   4.194
  416    HG1  THR  54           HG1      THR  54  -1.435  -7.617   6.838
  417   1HG2  THR  54          1HG2      THR  54   0.713  -5.994   5.870
  418   2HG2  THR  54          2HG2      THR  54  -0.728  -5.470   6.742
  419   3HG2  THR  54          3HG2      THR  54  -0.355  -4.780   5.162
  420    H    ILE  55           H        ILE  55  -1.899  -6.050   2.319
  421    HA   ILE  55           HA       ILE  55  -1.370  -3.309   2.210
  422    HB   ILE  55           HB       ILE  55  -2.277  -5.133  -0.016
  423   1HG1  ILE  55          1HG1      ILE  55   0.545  -4.231   0.391
  424   2HG1  ILE  55          2HG1      ILE  55  -0.081  -5.529   1.403
  425   1HG2  ILE  55          1HG2      ILE  55  -0.813  -2.507  -0.239
  426   2HG2  ILE  55          2HG2      ILE  55  -2.549  -2.700  -0.491
  427   3HG2  ILE  55          3HG2      ILE  55  -1.407  -3.519  -1.557
  428   1HD1  ILE  55          1HD1      ILE  55  -0.784  -6.112  -1.273
  429   2HD1  ILE  55          2HD1      ILE  55   0.329  -6.974  -0.211
  430   3HD1  ILE  55          3HD1      ILE  55   0.923  -5.670  -1.238
  431    H    TRP  56           H        TRP  56  -4.319  -5.108   1.371
  432    HA   TRP  56           HA       TRP  56  -5.892  -2.973   0.527
  433   1HB   TRP  56          1HB       TRP  56  -6.739  -5.138   0.134
  434   2HB   TRP  56          2HB       TRP  56  -6.525  -5.624   1.811
  435    HD1  TRP  56           HD1      TRP  56  -8.555  -2.676   0.287
  436    HE1  TRP  56           HE1      TRP  56 -10.951  -2.815   1.229
  437    HE3  TRP  56           HE3      TRP  56  -8.092  -6.922   3.094
  438    HZ2  TRP  56           HZ2      TRP  56 -12.434  -4.478   2.918
  439    HZ3  TRP  56           HZ3      TRP  56 -10.056  -7.723   4.348
  440    HH2  TRP  56           HH2      TRP  56 -12.183  -6.525   4.262
  441    H    ARG  57           H        ARG  57  -5.883  -4.485   3.754
  442    HA   ARG  57           HA       ARG  57  -7.527  -2.772   5.099
  443   1HB   ARG  57          1HB       ARG  57  -4.972  -3.873   6.275
  444   2HB   ARG  57          2HB       ARG  57  -6.451  -3.464   7.135
  445   1HG   ARG  57          1HG       ARG  57  -7.000  -5.383   5.070
  446   2HG   ARG  57          2HG       ARG  57  -5.702  -5.955   6.119
  447   1HD   ARG  57          2HD       ARG  57  -7.591  -4.869   7.850
  448   2HD   ARG  57          1HD       ARG  57  -8.538  -5.731   6.639
  449    HE   ARG  57           HE       ARG  57  -6.330  -7.248   7.686
  450   1HH1  ARG  57          1HH2      ARG  57  -9.664  -6.353   8.134
  451   2HH1  ARG  57          2HH2      ARG  57 -10.051  -7.755   9.074
  452   1HH2  ARG  57          1HH1      ARG  57  -6.827  -9.098   8.925
  453   2HH2  ARG  57          2HH1      ARG  57  -8.437  -9.316   9.525
  454    H    GLY  58           H        GLY  58  -4.116  -2.288   4.350
  455   1HA   GLY  58          1HA       GLY  58  -3.911   0.165   5.831
  456   2HA   GLY  58          2HA       GLY  58  -2.728  -0.471   4.696
  457    H    LEU  59           H        LEU  59  -4.835  -0.730   2.606
  458    HA   LEU  59           HA       LEU  59  -4.551   1.911   1.511
  459   1HB   LEU  59          1HB       LEU  59  -5.116  -0.728   0.538
  460   2HB   LEU  59          2HB       LEU  59  -6.341   0.377  -0.054
  461    HG   LEU  59           HG       LEU  59  -4.766   1.684  -1.220
  462   1HD1  LEU  59          1HD2      LEU  59  -2.244   0.840  -0.939
  463   2HD1  LEU  59          2HD2      LEU  59  -2.842   0.495   0.684
  464   3HD1  LEU  59          3HD2      LEU  59  -2.938   2.133   0.038
  465   1HD2  LEU  59          1HD1      LEU  59  -5.031  -1.033  -1.715
  466   2HD2  LEU  59          2HD1      LEU  59  -3.298  -0.730  -1.847
  467   3HD2  LEU  59          3HD1      LEU  59  -4.432   0.189  -2.835
  468    H    GLN  60           H        GLN  60  -7.120  -0.014   2.940
  469    HA   GLN  60           HA       GLN  60  -9.243   1.756   2.230
  470   1HB   GLN  60          1HB       GLN  60 -10.529   0.513   3.962
  471   2HB   GLN  60          2HB       GLN  60  -9.757  -0.537   2.782
  472   1HG   GLN  60          2HG       GLN  60  -7.986  -1.045   4.353
  473   2HG   GLN  60          1HG       GLN  60  -8.694   0.056   5.535
  474   1HE2  GLN  60          1HE2      GLN  60  -9.310  -2.883   3.691
  475   2HE2  GLN  60          2HE2      GLN  60 -10.376  -3.601   4.846
  476    H    ASP  61           H        ASP  61  -6.892   1.619   4.774
  477    HA   ASP  61           HA       ASP  61  -8.172   3.324   6.635
  478   1HB   ASP  61          1HB       ASP  61  -5.835   1.844   6.586
  479   2HB   ASP  61          2HB       ASP  61  -5.251   3.506   6.588
  480    H    LEU  62           H        LEU  62  -6.344   3.870   3.734
  481    HA   LEU  62           HA       LEU  62  -5.636   6.564   4.140
  482   1HB   LEU  62          1HB       LEU  62  -6.103   4.929   1.651
  483   2HB   LEU  62          2HB       LEU  62  -5.610   6.611   1.585
  484    HG   LEU  62           HG       LEU  62  -3.981   4.693   3.195
  485   1HD1  LEU  62          1HD2      LEU  62  -4.566   3.883   0.751
  486   2HD1  LEU  62          2HD2      LEU  62  -2.940   3.722   1.415
  487   3HD1  LEU  62          3HD2      LEU  62  -3.318   5.054   0.324
  488   1HD2  LEU  62          1HD1      LEU  62  -3.597   7.174   3.157
  489   2HD2  LEU  62          2HD1      LEU  62  -3.164   7.009   1.456
  490   3HD2  LEU  62          3HD1      LEU  62  -2.208   6.191   2.692
  491    H    LYS  63           H        LYS  63  -8.413   5.108   2.464
  492    HA   LYS  63           HA       LYS  63  -9.708   7.378   1.613
  493   1HB   LYS  63          2HB       LYS  63 -10.482   5.148   1.033
  494   2HB   LYS  63          1HB       LYS  63 -10.925   4.836   2.706
  495   1HG   LYS  63          2HG       LYS  63 -12.851   5.363   1.251
  496   2HG   LYS  63          1HG       LYS  63 -12.674   6.473   2.612
  497   1HD   LYS  63          2HD       LYS  63 -13.206   7.691   0.571
  498   2HD   LYS  63          1HD       LYS  63 -11.584   8.098   1.136
  499   1HE   LYS  63          1HE       LYS  63 -11.429   7.805  -1.210
  500   2HE   LYS  63          2HE       LYS  63 -10.708   6.375  -0.474
  501   1HZ   LYS  63          1HZ       LYS  63 -12.432   6.183  -2.421
  502   2HZ   LYS  63          2HZ       LYS  63 -13.553   6.285  -1.158
  503   3HZ   LYS  63          3HZ       LYS  63 -12.402   5.047  -1.167
  504    H    GLN  64           H        GLN  64  -9.922   5.838   4.802
  505    HA   GLN  64           HA       GLN  64 -11.717   7.862   5.803
  506   1HB   GLN  64          2HB       GLN  64 -10.220   5.844   7.464
  507   2HB   GLN  64          1HB       GLN  64 -11.756   6.623   7.821
  508   1HG   GLN  64          1HG       GLN  64 -12.933   5.270   6.373
  509   2HG   GLN  64          2HG       GLN  64 -11.503   4.865   5.425
  510   1HE2  GLN  64          2HE2      GLN  64 -13.635   3.316   6.972
  511   2HE2  GLN  64          1HE2      GLN  64 -12.717   2.177   7.891
  512    H    GLY  65           H        GLY  65  -8.293   7.274   5.768
  513   1HA   GLY  65          1HA       GLY  65  -7.877   9.499   7.653
  514   2HA   GLY  65          2HA       GLY  65  -6.685   8.268   7.265
  515    H    HIS  66           H        HIS  66  -8.299  11.167   6.126
  516    HA   HIS  66           HA       HIS  66  -6.287  11.420   3.996
  517   1HB   HIS  66          1HB       HIS  66  -8.948  11.629   3.714
  518   2HB   HIS  66          2HB       HIS  66  -8.582  13.303   4.125
  519    HD1  HIS  66           HD1      HIS  66  -8.985  14.302   1.835
  520    HD2  HIS  66           HD2      HIS  66  -6.263  11.162   1.783
  521    HE1  HIS  66           HE1      HIS  66  -7.979  14.323  -0.469
  522    HE2  HIS  66           HE2      HIS  66  -6.334  12.415  -0.479
  523    H    ASP  67           H        ASP  67  -5.802  11.968   6.826
  524    HA   ASP  67           HA       ASP  67  -4.415  14.415   6.557
  525   1HB   ASP  67          2HB       ASP  67  -5.732  15.513   8.529
  526   2HB   ASP  67          1HB       ASP  67  -6.348  15.661   6.886
  527    H    TYR  68           HN       TYR  68  -2.701  14.290   7.844
  528    HA   TYR  68           HA       TYR  68  -1.287  13.656   9.509
  529   1HB   TYR  68          2HB       TYR  68  -3.908  13.842  10.825
  530   2HB   TYR  68          1HB       TYR  68  -2.758  12.793  11.648
  531    HD1  TYR  68           HD1      TYR  68  -4.020  15.901  11.847
  532    HD2  TYR  68           HD2      TYR  68  -0.221  14.029  11.441
  533    HE1  TYR  68           HE1      TYR  68  -2.948  17.873  12.850
  534    HE2  TYR  68           HE2      TYR  68   0.861  15.997  12.442
  535    HH   TYR  68           HH       TYR  68   0.436  18.355  12.792
  Start of MODEL   11
    1   1H    TYR   1          1H        TYR   1  12.655  15.647 -13.340
    2   2H    TYR   1          2H        TYR   1  11.366  16.776 -13.241
    3   3H    TYR   1          3H        TYR   1  11.167  15.191 -12.617
    4    HA   TYR   1           HA       TYR   1  13.026  15.684 -11.081
    5   1HB   TYR   1          1HB       TYR   1  12.769  18.195 -12.589
    6   2HB   TYR   1          2HB       TYR   1  12.823  18.418 -10.842
    7    HD1  TYR   1           HD1      TYR   1  14.811  18.557 -13.580
    8    HD2  TYR   1           HD2      TYR   1  14.700  16.633  -9.787
    9    HE1  TYR   1           HE1      TYR   1  17.260  18.330 -13.630
   10    HE2  TYR   1           HE2      TYR   1  17.148  16.401  -9.827
   11    HH   TYR   1           HH       TYR   1  18.969  16.549 -12.392
   12    H    HIS   2           H        HIS   2  10.748  14.655 -10.594
   13    HA   HIS   2           HA       HIS   2   9.451  16.461  -8.678
   14   1HB   HIS   2          1HB       HIS   2   8.239  15.206 -11.015
   15   2HB   HIS   2          2HB       HIS   2   7.398  14.794  -9.523
   16    HD1  HIS   2           HD1      HIS   2   8.625  17.929 -11.300
   17    HD2  HIS   2           HD2      HIS   2   5.588  16.656  -8.764
   18    HE1  HIS   2           HE1      HIS   2   7.102  19.911 -11.026
   19    HE2  HIS   2           HE2      HIS   2   5.271  19.119  -9.488
   20    H    ALA   3           H        ALA   3   9.174  15.604  -6.715
   21    HA   ALA   3           HA       ALA   3   9.820  12.761  -6.371
   22   1HB   ALA   3          1HB       ALA   3   9.632  14.620  -4.058
   23   2HB   ALA   3          2HB       ALA   3  11.004  14.774  -5.154
   24   3HB   ALA   3          3HB       ALA   3  10.708  13.248  -4.321
   25    H    ASP   4           H        ASP   4   8.664  11.617  -4.603
   26    HA   ASP   4           HA       ASP   4   6.087  12.557  -3.785
   27   1HB   ASP   4          2HB       ASP   4   5.855  11.738  -6.242
   28   2HB   ASP   4          1HB       ASP   4   6.003  10.125  -5.551
   29    HA   PRO   5           HA       PRO   5   8.284   9.186  -1.308
   30   1HB   PRO   5          1HB       PRO   5   8.451  10.642   0.997
   31   2HB   PRO   5          2HB       PRO   5   9.719  10.606  -0.232
   32   1HG   PRO   5          1HG       PRO   5   7.584  12.652   0.231
   33   2HG   PRO   5          2HG       PRO   5   9.297  12.891  -0.159
   34   1HD   PRO   5          2HD       PRO   5   7.361  13.110  -2.022
   35   2HD   PRO   5          1HD       PRO   5   8.973  12.473  -2.410
   36    H    SER   6           H        SER   6   5.530  11.260  -0.919
   37    HA   SER   6           HA       SER   6   4.389   9.856   1.302
   38   1HB   SER   6          1HB       SER   6   3.675  12.096   1.087
   39   2HB   SER   6          2HB       SER   6   3.337  11.913  -0.635
   40    HG   SER   6           HG       SER   6   1.792  11.244   1.561
   41    H    LEU   7           H        LEU   7   4.899   7.757   0.033
   42    HA   LEU   7           HA       LEU   7   2.469   6.528  -0.623
   43   1HB   LEU   7          1HB       LEU   7   2.518   7.722  -2.693
   44   2HB   LEU   7          2HB       LEU   7   4.202   7.314  -2.960
   45    HG   LEU   7           HG       LEU   7   2.430   6.074  -4.337
   46   1HD1  LEU   7          1HD1      LEU   7   3.912   4.396  -4.672
   47   2HD1  LEU   7          2HD1      LEU   7   4.105   4.070  -2.951
   48   3HD1  LEU   7          3HD1      LEU   7   4.936   5.441  -3.686
   49   1HD2  LEU   7          1HD2      LEU   7   2.195   4.085  -2.193
   50   2HD2  LEU   7          2HD2      LEU   7   1.012   4.617  -3.389
   51   3HD2  LEU   7          3HD2      LEU   7   1.286   5.572  -1.932
   52    H    VAL   8           H        VAL   8   5.837   6.314  -1.789
   53    HA   VAL   8           HA       VAL   8   6.024   3.527  -1.676
   54    HB   VAL   8           HB       VAL   8   8.319   5.441  -1.257
   55   1HG1  VAL   8          1HG2      VAL   8   8.063   2.559  -1.821
   56   2HG1  VAL   8          2HG2      VAL   8   9.345   3.447  -0.997
   57   3HG1  VAL   8          3HG2      VAL   8   9.280   3.423  -2.760
   58   1HG2  VAL   8          1HG1      VAL   8   7.296   6.253  -3.199
   59   2HG2  VAL   8          2HG1      VAL   8   6.872   4.635  -3.760
   60   3HG2  VAL   8          3HG1      VAL   8   8.553   5.166  -3.790
   61    H    SER   9           H        SER   9   6.857   5.990   0.735
   62    HA   SER   9           HA       SER   9   8.027   4.382   2.660
   63   1HB   SER   9          1HB       SER   9   8.190   6.611   3.207
   64   2HB   SER   9          2HB       SER   9   6.530   6.962   2.729
   65    HG   SER   9           HG       SER   9   6.552   7.038   4.924
   66    H    PHE  10           H        PHE  10   4.627   4.904   1.947
   67    HA   PHE  10           HA       PHE  10   3.733   3.380   4.232
   68   1HB   PHE  10          1HB       PHE  10   2.467   4.936   2.053
   69   2HB   PHE  10          2HB       PHE  10   1.526   3.583   2.671
   70    HD1  PHE  10           HD1      PHE  10   3.254   6.699   3.662
   71    HD2  PHE  10           HD2      PHE  10   0.388   3.735   4.713
   72    HE1  PHE  10           HE1      PHE  10   2.526   8.082   5.562
   73    HE2  PHE  10           HE2      PHE  10  -0.347   5.112   6.615
   74    HZ   PHE  10           HZ       PHE  10   0.724   7.289   7.041
   75    H    LEU  11           H        LEU  11   3.825   2.929   0.709
   76    HA   LEU  11           HA       LEU  11   2.610   0.475   0.484
   77   1HB   LEU  11          2HB       LEU  11   3.624   2.018  -1.322
   78   2HB   LEU  11          1HB       LEU  11   5.112   1.133  -1.043
   79    HG   LEU  11           HG       LEU  11   3.679   0.363  -2.993
   80   1HD1  LEU  11          1HD1      LEU  11   4.583  -1.699  -2.822
   81   2HD1  LEU  11          2HD1      LEU  11   3.961  -1.958  -1.192
   82   3HD1  LEU  11          3HD1      LEU  11   5.406  -0.976  -1.439
   83   1HD2  LEU  11          1HD2      LEU  11   2.030  -1.051  -0.936
   84   2HD2  LEU  11          2HD2      LEU  11   1.701  -0.793  -2.649
   85   3HD2  LEU  11          3HD2      LEU  11   1.566   0.549  -1.513
   86    H    THR  12           H        THR  12   5.838   1.222   1.618
   87    HA   THR  12           HA       THR  12   6.640  -1.551   1.726
   88    HB   THR  12           HB       THR  12   8.081   0.709   3.085
   89    HG1  THR  12           HG1      THR  12   8.101   1.629   1.192
   90   1HG2  THR  12          1HG2      THR  12   8.732  -1.896   2.930
   91   2HG2  THR  12          2HG2      THR  12   9.903  -0.584   3.063
   92   3HG2  THR  12          3HG2      THR  12   9.526  -1.273   1.484
   93    H    GLY  13           H        GLY  13   6.328   1.006   4.202
   94   1HA   GLY  13          2HA       GLY  13   6.549  -0.512   6.482
   95   2HA   GLY  13          1HA       GLY  13   5.525   0.913   6.364
   96    H    LEU  14           H        LEU  14   3.895  -0.339   4.274
   97    HA   LEU  14           HA       LEU  14   1.782  -1.366   5.737
   98   1HB   LEU  14          2HB       LEU  14   1.636  -0.561   3.429
   99   2HB   LEU  14          1HB       LEU  14   2.591  -1.916   2.880
  100    HG   LEU  14           HG       LEU  14   0.174  -2.711   4.329
  101   1HD1  LEU  14          1HD1      LEU  14  -1.443  -1.775   3.064
  102   2HD1  LEU  14          2HD1      LEU  14  -0.436  -1.733   1.615
  103   3HD1  LEU  14          3HD1      LEU  14  -0.245  -0.499   2.859
  104   1HD2  LEU  14          1HD2      LEU  14   1.921  -3.928   2.711
  105   2HD2  LEU  14          2HD2      LEU  14   0.709  -3.459   1.519
  106   3HD2  LEU  14          3HD2      LEU  14   0.253  -4.463   2.897
  107    H    GLY  15           H        GLY  15   4.688  -2.882   4.645
  108   1HA   GLY  15          1HA       GLY  15   5.362  -4.929   5.821
  109   2HA   GLY  15          2HA       GLY  15   3.700  -5.479   5.635
  110    H    CYS  16           H        CYS  16   4.895  -3.763   2.937
  111    HA   CYS  16           HA       CYS  16   5.471  -6.305   1.558
  112   1HB   CYS  16          2HB       CYS  16   3.994  -3.871   0.546
  113   2HB   CYS  16          1HB       CYS  16   4.553  -5.171  -0.501
  114    HG   CYS  16           HG       CYS  16   2.931  -6.715   1.115
  115    HA   PRO  17           HA       PRO  17   9.074  -3.333   1.142
  116   1HB   PRO  17          2HB       PRO  17  10.978  -4.962   2.155
  117   2HB   PRO  17          1HB       PRO  17   9.988  -3.910   3.172
  118   1HG   PRO  17          2HG       PRO  17   9.688  -6.837   2.612
  119   2HG   PRO  17          1HG       PRO  17   9.542  -5.973   4.155
  120   1HD   PRO  17          2HD       PRO  17   7.391  -6.738   2.681
  121   2HD   PRO  17          1HD       PRO  17   7.387  -5.295   3.712
  122    H    ASN  18           H        ASN  18   8.212  -6.469   0.075
  123    HA   ASN  18           HA       ASN  18  10.147  -6.245  -2.124
  124   1HB   ASN  18          2HB       ASN  18   9.594  -8.591  -0.353
  125   2HB   ASN  18          1HB       ASN  18   9.998  -8.883  -2.042
  126   1HD2  ASN  18          2HD2      ASN  18  11.900  -9.929  -1.351
  127   2HD2  ASN  18          1HD2      ASN  18  13.281  -9.023  -0.843
  128    H    CYS  19           H        CYS  19   7.171  -5.684  -1.679
  129    HA   CYS  19           HA       CYS  19   6.142  -7.399  -3.837
  130   1HB   CYS  19          1HB       CYS  19   5.053  -6.956  -1.341
  131   2HB   CYS  19          2HB       CYS  19   4.156  -5.835  -2.360
  132    HG   CYS  19           HG       CYS  19   4.226  -8.721  -3.387
  133    H    ILE  20           H        ILE  20   6.743  -4.152  -2.798
  134    HA   ILE  20           HA       ILE  20   5.143  -2.630  -4.433
  135    HB   ILE  20           HB       ILE  20   6.679  -1.675  -2.774
  136   1HG1  ILE  20          2HG1      ILE  20   7.565  -0.433  -5.340
  137   2HG1  ILE  20          1HG1      ILE  20   5.837  -0.488  -5.003
  138   1HG2  ILE  20          1HG2      ILE  20   8.563  -3.272  -3.649
  139   2HG2  ILE  20          2HG2      ILE  20   8.968  -1.712  -2.930
  140   3HG2  ILE  20          3HG2      ILE  20   8.954  -1.899  -4.683
  141   1HD1  ILE  20          1HD1      ILE  20   6.858   1.620  -4.310
  142   2HD1  ILE  20          2HD1      ILE  20   7.916   0.737  -3.208
  143   3HD1  ILE  20          3HD1      ILE  20   6.172   0.735  -2.946
  144    H    GLU  21           H        GLU  21   8.037  -4.434  -5.277
  145    HA   GLU  21           HA       GLU  21   8.585  -3.351  -7.780
  146   1HB   GLU  21          2HB       GLU  21   8.847  -6.240  -6.930
  147   2HB   GLU  21          1HB       GLU  21   9.666  -5.491  -8.292
  148   1HG   GLU  21          2HG       GLU  21  10.075  -4.181  -5.691
  149   2HG   GLU  21          1HG       GLU  21  10.752  -5.802  -5.848
  150    H    TYR  22           H        TYR  22   6.374  -5.974  -6.888
  151    HA   TYR  22           HA       TYR  22   5.495  -6.415  -9.581
  152   1HB   TYR  22          1HB       TYR  22   4.197  -7.269  -6.983
  153   2HB   TYR  22          2HB       TYR  22   3.845  -7.913  -8.583
  154    HD1  TYR  22           HD1      TYR  22   5.193  -9.615  -9.543
  155    HD2  TYR  22           HD2      TYR  22   6.431  -7.710  -5.947
  156    HE1  TYR  22           HE1      TYR  22   6.937 -11.322  -9.247
  157    HE2  TYR  22           HE2      TYR  22   8.179  -9.410  -5.640
  158    HH   TYR  22           HH       TYR  22   9.159 -11.497  -8.060
  159    H    PHE  23           H        PHE  23   4.372  -4.573  -6.815
  160    HA   PHE  23           HA       PHE  23   1.843  -3.855  -7.866
  161   1HB   PHE  23          1HB       PHE  23   3.517  -3.115  -5.575
  162   2HB   PHE  23          2HB       PHE  23   2.532  -1.789  -6.179
  163    HD1  PHE  23           HD1      PHE  23   2.546  -3.917  -3.652
  164    HD2  PHE  23           HD2      PHE  23   0.079  -3.034  -7.005
  165    HE1  PHE  23           HE1      PHE  23   0.599  -4.826  -2.454
  166    HE2  PHE  23           HE2      PHE  23  -1.872  -3.940  -5.813
  167    HZ   PHE  23           HZ       PHE  23  -1.614  -4.838  -3.535
  168    H    THR  24           H        THR  24   5.008  -2.256  -7.887
  169    HA   THR  24           HA       THR  24   4.252   0.117  -9.151
  170    HB   THR  24           HB       THR  24   6.643   0.255  -9.857
  171    HG1  THR  24           HG1      THR  24   8.012  -1.429  -9.327
  172   1HG2  THR  24          1HG2      THR  24   6.533   1.136  -7.772
  173   2HG2  THR  24          2HG2      THR  24   7.587  -0.242  -7.454
  174   3HG2  THR  24          3HG2      THR  24   5.870  -0.335  -7.061
  175    H    SER  25           H        SER  25   4.978  -3.054 -10.460
  176    HA   SER  25           HA       SER  25   5.369  -2.491 -13.128
  177   1HB   SER  25          2HB       SER  25   3.808  -4.827 -11.992
  178   2HB   SER  25          1HB       SER  25   4.546  -4.755 -13.592
  179    HG   SER  25           HG       SER  25   5.978  -5.810 -12.288
  180    H    GLN  26           H        GLN  26   2.463  -2.216 -11.278
  181    HA   GLN  26           HA       GLN  26   0.849  -1.917 -13.708
  182   1HB   GLN  26          1HB       GLN  26  -0.345  -1.729 -10.979
  183   2HB   GLN  26          2HB       GLN  26  -1.029  -2.392 -12.457
  184   1HG   GLN  26          2HG       GLN  26   1.202  -3.718 -10.947
  185   2HG   GLN  26          1HG       GLN  26  -0.502  -4.047 -10.642
  186   1HE2  GLN  26          2HE2      GLN  26   1.110  -6.086 -11.362
  187   2HE2  GLN  26          1HE2      GLN  26   0.753  -6.602 -12.972
  188    H    GLY  27           H        GLY  27   1.918  -0.182 -10.837
  189   1HA   GLY  27          1HA       GLY  27   2.342   2.266 -11.516
  190   2HA   GLY  27          2HA       GLY  27   0.618   2.258 -11.854
  191    H    LEU  28           H        LEU  28   2.436   0.803  -9.178
  192    HA   LEU  28           HA       LEU  28   0.663   2.209  -7.322
  193   1HB   LEU  28          1HB       LEU  28   1.736  -0.413  -7.421
  194   2HB   LEU  28          2HB       LEU  28   2.413   0.369  -6.007
  195    HG   LEU  28           HG       LEU  28   0.310  -0.928  -5.594
  196   1HD1  LEU  28          1HD2      LEU  28   0.652   0.491  -3.858
  197   2HD1  LEU  28          2HD2      LEU  28  -0.829   1.209  -4.492
  198   3HD1  LEU  28          3HD2      LEU  28   0.736   1.917  -4.894
  199   1HD2  LEU  28          1HD1      LEU  28  -0.628   0.809  -7.727
  200   2HD2  LEU  28          2HD1      LEU  28  -1.667   0.859  -6.303
  201   3HD2  LEU  28          3HD1      LEU  28  -1.323  -0.681  -7.090
  202    H    GLN  29           H        GLN  29   2.635   3.758  -8.536
  203    HA   GLN  29           HA       GLN  29   4.681   4.123  -6.465
  204   1HB   GLN  29          1HB       GLN  29   5.502   5.881  -8.201
  205   2HB   GLN  29          2HB       GLN  29   5.764   4.172  -8.522
  206   1HG   GLN  29          2HG       GLN  29   3.868   4.122 -10.013
  207   2HG   GLN  29          1HG       GLN  29   3.487   5.799  -9.630
  208   1HE2  GLN  29          2HE2      GLN  29   5.501   3.661 -11.428
  209   2HE2  GLN  29          1HE2      GLN  29   6.317   4.866 -12.359
  210    H    SER  30           H        SER  30   1.858   5.549  -7.888
  211    HA   SER  30           HA       SER  30   2.092   7.852  -6.066
  212   1HB   SER  30          2HB       SER  30   0.014   8.318  -7.928
  213   2HB   SER  30          1HB       SER  30   1.577   9.129  -7.836
  214    HG   SER  30           HG       SER  30   1.021   8.032  -9.881
  215    H    ILE  31           H        ILE  31   0.966   7.481  -4.262
  216    HA   ILE  31           HA       ILE  31  -0.873   5.538  -3.776
  217    HB   ILE  31           HB       ILE  31   0.177   7.156  -2.113
  218   1HG1  ILE  31          2HG1      ILE  31  -2.400   7.043  -0.969
  219   2HG1  ILE  31          1HG1      ILE  31  -2.280   5.657  -2.051
  220   1HG2  ILE  31          1HG2      ILE  31  -1.165   9.063  -1.426
  221   2HG2  ILE  31          2HG2      ILE  31  -2.308   8.742  -2.731
  222   3HG2  ILE  31          3HG2      ILE  31  -0.655   9.229  -3.107
  223   1HD1  ILE  31          1HD1      ILE  31  -0.556   4.708  -0.858
  224   2HD1  ILE  31          2HD1      ILE  31  -1.547   5.424   0.413
  225   3HD1  ILE  31          3HD1      ILE  31  -0.080   6.240  -0.125
  226    H    TYR  32           H        TYR  32  -1.408   8.532  -5.449
  227    HA   TYR  32           HA       TYR  32  -4.194   8.721  -5.282
  228   1HB   TYR  32          1HB       TYR  32  -2.358   9.494  -7.561
  229   2HB   TYR  32          2HB       TYR  32  -4.037  10.002  -7.403
  230    HD1  TYR  32           HD1      TYR  32  -0.637  10.692  -6.503
  231    HD2  TYR  32           HD2      TYR  32  -4.680  11.408  -5.387
  232    HE1  TYR  32           HE1      TYR  32   0.081  12.629  -5.168
  233    HE2  TYR  32           HE2      TYR  32  -3.973  13.346  -4.049
  234    HH   TYR  32           HH       TYR  32  -1.236  13.895  -2.906
  235    H    HIS  33           H        HIS  33  -2.173   6.486  -6.952
  236    HA   HIS  33           HA       HIS  33  -4.200   5.651  -8.838
  237   1HB   HIS  33          2HB       HIS  33  -1.423   5.409  -8.680
  238   2HB   HIS  33          1HB       HIS  33  -2.019   3.769  -8.442
  239    HD1  HIS  33           HD1      HIS  33  -3.643   2.863 -10.396
  240    HD2  HIS  33           HD2      HIS  33  -1.393   6.243 -11.275
  241    HE1  HIS  33           HE1      HIS  33  -3.673   3.057 -12.904
  242    HE2  HIS  33           HE2      HIS  33  -2.305   5.110 -13.413
  243    H    LEU  34           H        LEU  34  -3.290   4.904  -5.608
  244    HA   LEU  34           HA       LEU  34  -4.955   2.477  -5.668
  245   1HB   LEU  34          2HB       LEU  34  -3.700   2.077  -3.416
  246   2HB   LEU  34          1HB       LEU  34  -2.930   1.703  -4.943
  247    HG   LEU  34           HG       LEU  34  -2.474   4.384  -3.690
  248   1HD1  LEU  34          1HD1      LEU  34  -1.742   3.325  -1.842
  249   2HD1  LEU  34          2HD1      LEU  34  -0.323   3.009  -2.840
  250   3HD1  LEU  34          3HD1      LEU  34  -1.569   1.775  -2.664
  251   1HD2  LEU  34          1HD2      LEU  34  -0.146   3.644  -4.758
  252   2HD2  LEU  34          2HD2      LEU  34  -1.421   4.417  -5.697
  253   3HD2  LEU  34          3HD2      LEU  34  -1.225   2.667  -5.752
  254    H    GLN  35           H        GLN  35  -5.653   5.400  -5.273
  255    HA   GLN  35           HA       GLN  35  -6.414   5.751  -2.567
  256   1HB   GLN  35          1HB       GLN  35  -6.120   7.606  -4.197
  257   2HB   GLN  35          2HB       GLN  35  -7.578   7.074  -5.024
  258   1HG   GLN  35          2HG       GLN  35  -8.732   8.413  -3.699
  259   2HG   GLN  35          1HG       GLN  35  -8.320   7.349  -2.354
  260   1HE2  GLN  35          2HE2      GLN  35  -6.989   8.064  -0.800
  261   2HE2  GLN  35          1HE2      GLN  35  -6.225   9.614  -0.796
  262    H    ASN  36           H        ASN  36  -7.790   3.940  -5.138
  263    HA   ASN  36           HA       ASN  36 -10.158   3.433  -3.476
  264   1HB   ASN  36          1HB       ASN  36 -10.048   4.235  -6.355
  265   2HB   ASN  36          2HB       ASN  36 -11.323   3.141  -5.824
  266   1HD2  ASN  36          2HD2      ASN  36 -10.289   6.335  -6.050
  267   2HD2  ASN  36          1HD2      ASN  36 -11.546   7.070  -5.122
  268    H    LEU  37           H        LEU  37  -7.527   2.004  -4.225
  269    HA   LEU  37           HA       LEU  37  -8.458  -0.345  -5.622
  270   1HB   LEU  37          2HB       LEU  37  -5.922   0.784  -4.900
  271   2HB   LEU  37          1HB       LEU  37  -5.992  -0.878  -4.344
  272    HG   LEU  37           HG       LEU  37  -6.823  -0.315  -7.148
  273   1HD1  LEU  37          1HD2      LEU  37  -4.220  -0.833  -7.532
  274   2HD1  LEU  37          2HD2      LEU  37  -4.117   0.124  -6.054
  275   3HD1  LEU  37          3HD2      LEU  37  -4.889   0.799  -7.489
  276   1HD2  LEU  37          1HD1      LEU  37  -6.200  -2.515  -7.523
  277   2HD2  LEU  37          2HD1      LEU  37  -6.843  -2.569  -5.882
  278   3HD2  LEU  37          3HD1      LEU  37  -5.099  -2.545  -6.145
  279    H    THR  38           H        THR  38  -8.754  -2.395  -4.757
  280    HA   THR  38           HA       THR  38  -8.842  -2.583  -1.819
  281    HB   THR  38           HB       THR  38 -10.895  -4.203  -3.041
  282    HG1  THR  38           HG1      THR  38 -11.398  -2.841  -4.578
  283   1HG2  THR  38          1HG2      THR  38 -12.153  -2.190  -1.638
  284   2HG2  THR  38          2HG2      THR  38 -10.602  -2.379  -0.819
  285   3HG2  THR  38          3HG2      THR  38 -11.671  -3.769  -1.018
  286    H    ILE  39           H        ILE  39  -9.264  -4.968  -1.182
  287    HA   ILE  39           HA       ILE  39  -7.134  -6.565  -2.074
  288    HB   ILE  39           HB       ILE  39  -8.230  -6.909   0.097
  289   1HG1  ILE  39          1HG1      ILE  39  -8.358  -9.395   0.001
  290   2HG1  ILE  39          2HG1      ILE  39  -8.346  -9.299  -1.758
  291   1HG2  ILE  39          1HG2      ILE  39 -10.390  -8.062   0.218
  292   2HG2  ILE  39          2HG2      ILE  39 -10.538  -7.945  -1.536
  293   3HG2  ILE  39          3HG2      ILE  39 -10.522  -6.481  -0.551
  294   1HD1  ILE  39          1HD1      ILE  39  -6.130  -7.836  -0.693
  295   2HD1  ILE  39          2HD1      ILE  39  -6.141  -9.224  -1.781
  296   3HD1  ILE  39          3HD1      ILE  39  -6.154  -9.472  -0.036
  297    H    GLU  40           H        GLU  40 -10.483  -6.289  -2.996
  298    HA   GLU  40           HA       GLU  40 -10.813  -8.513  -4.603
  299   1HB   GLU  40          1HB       GLU  40 -11.892  -5.732  -5.083
  300   2HB   GLU  40          2HB       GLU  40 -12.514  -7.207  -5.809
  301   1HG   GLU  40          1HG       GLU  40 -12.393  -7.303  -2.898
  302   2HG   GLU  40          2HG       GLU  40 -13.442  -6.033  -3.523
  303    H    ASP  41           H        ASP  41  -9.444  -5.354  -5.412
  304    HA   ASP  41           HA       ASP  41  -8.790  -6.202  -8.104
  305   1HB   ASP  41          2HB       ASP  41  -8.520  -3.650  -6.555
  306   2HB   ASP  41          1HB       ASP  41  -7.573  -3.874  -8.022
  307    H    LEU  42           H        LEU  42  -7.172  -5.718  -5.026
  308    HA   LEU  42           HA       LEU  42  -4.518  -5.724  -5.771
  309   1HB   LEU  42          2HB       LEU  42  -5.799  -7.075  -3.395
  310   2HB   LEU  42          1HB       LEU  42  -4.077  -6.837  -3.575
  311    HG   LEU  42           HG       LEU  42  -6.106  -5.004  -2.587
  312   1HD1  LEU  42          1HD2      LEU  42  -3.225  -5.537  -2.337
  313   2HD1  LEU  42          2HD2      LEU  42  -4.442  -5.226  -1.098
  314   3HD1  LEU  42          3HD2      LEU  42  -3.747  -3.884  -2.009
  315   1HD2  LEU  42          1HD1      LEU  42  -4.185  -3.943  -4.658
  316   2HD2  LEU  42          2HD1      LEU  42  -5.131  -2.956  -3.542
  317   3HD2  LEU  42          3HD1      LEU  42  -5.946  -3.939  -4.758
  318    H    GLY  43           H        GLY  43  -6.430  -8.607  -4.885
  319   1HA   GLY  43          1HA       GLY  43  -4.517 -10.514  -5.596
  320   2HA   GLY  43          2HA       GLY  43  -6.251 -10.797  -5.543
  321    H    ALA  44           H        ALA  44  -6.478  -8.527  -7.603
  322    HA   ALA  44           HA       ALA  44  -6.651 -10.174  -9.889
  323   1HB   ALA  44          1HB       ALA  44  -7.626  -8.401 -10.897
  324   2HB   ALA  44          2HB       ALA  44  -6.426  -7.257 -10.295
  325   3HB   ALA  44          3HB       ALA  44  -7.726  -7.809  -9.239
  326    H    LEU  45           H        LEU  45  -4.244  -7.829  -8.802
  327    HA   LEU  45           HA       LEU  45  -2.621  -7.598 -10.989
  328   1HB   LEU  45          2HB       LEU  45  -2.056  -7.714  -8.050
  329   2HB   LEU  45          1HB       LEU  45  -0.742  -7.538  -9.195
  330    HG   LEU  45           HG       LEU  45  -1.696  -5.456 -10.015
  331   1HD1  LEU  45          1HD2      LEU  45  -3.903  -6.003  -8.044
  332   2HD1  LEU  45          2HD2      LEU  45  -4.041  -5.901  -9.799
  333   3HD1  LEU  45          3HD2      LEU  45  -3.650  -4.460  -8.861
  334   1HD2  LEU  45          1HD1      LEU  45  -0.193  -5.144  -8.232
  335   2HD2  LEU  45          2HD1      LEU  45  -1.371  -5.699  -7.043
  336   3HD2  LEU  45          3HD1      LEU  45  -1.594  -4.146  -7.847
  337    H    LYS  46           H        LYS  46  -3.041 -10.324  -8.912
  338    HA   LYS  46           HA       LYS  46  -2.520 -12.519  -9.235
  339   1HB   LYS  46          1HB       LYS  46  -1.789 -13.316 -11.232
  340   2HB   LYS  46          2HB       LYS  46  -2.248 -11.707 -11.754
  341   1HG   LYS  46          2HG       LYS  46  -0.225 -11.548 -12.638
  342   2HG   LYS  46          1HG       LYS  46   0.394 -11.409 -10.994
  343   1HD   LYS  46          2HD       LYS  46   1.633 -13.135 -12.076
  344   2HD   LYS  46          1HD       LYS  46   0.533 -13.917 -10.939
  345   1HE   LYS  46          2HE       LYS  46   0.660 -15.025 -13.169
  346   2HE   LYS  46          1HE       LYS  46  -0.965 -14.529 -12.695
  347   1HZ   LYS  46          1HZ       LYS  46  -0.160 -14.028 -15.065
  348   2HZ   LYS  46          2HZ       LYS  46   0.709 -12.761 -14.357
  349   3HZ   LYS  46          3HZ       LYS  46  -0.976 -12.811 -14.220
  350    H    ILE  47           H        ILE  47  -1.002 -10.357  -7.766
  351    HA   ILE  47           HA       ILE  47   1.709 -11.294  -7.622
  352    HB   ILE  47           HB       ILE  47   0.345  -9.621  -5.527
  353   1HG1  ILE  47          2HG1      ILE  47   1.496  -8.701  -8.172
  354   2HG1  ILE  47          1HG1      ILE  47  -0.190  -8.600  -7.674
  355   1HG2  ILE  47          1HG2      ILE  47   2.619 -10.465  -5.085
  356   2HG2  ILE  47          2HG2      ILE  47   2.551  -8.705  -5.182
  357   3HG2  ILE  47          3HG2      ILE  47   3.184  -9.639  -6.537
  358   1HD1  ILE  47          1HD1      ILE  47   2.053  -7.187  -6.262
  359   2HD1  ILE  47          2HD1      ILE  47   0.319  -6.966  -6.025
  360   3HD1  ILE  47          3HD1      ILE  47   1.074  -6.463  -7.538
  361    HA   PRO  48           HA       PRO  48   1.347 -14.875  -5.054
  362   1HB   PRO  48          2HB       PRO  48   3.401 -14.002  -3.264
  363   2HB   PRO  48          1HB       PRO  48   3.531 -15.178  -4.572
  364   1HG   PRO  48          2HG       PRO  48   4.250 -12.309  -4.538
  365   2HG   PRO  48          1HG       PRO  48   4.901 -13.623  -5.532
  366   1HD   PRO  48          2HD       PRO  48   3.286 -11.748  -6.568
  367   2HD   PRO  48          1HD       PRO  48   3.206 -13.440  -7.106
  368    H    GLU  49           H        GLU  49  -0.012 -15.298  -3.439
  369    HA   GLU  49           HA       GLU  49  -1.205 -13.225  -1.926
  370   1HB   GLU  49          2HB       GLU  49  -2.325 -15.359  -2.604
  371   2HB   GLU  49          1HB       GLU  49  -1.350 -16.198  -1.405
  372   1HG   GLU  49          2HG       GLU  49  -2.438 -14.220   0.096
  373   2HG   GLU  49          1HG       GLU  49  -3.727 -14.520  -1.070
  374    H    GLN  50           H        GLN  50   1.102 -12.544  -1.196
  375    HA   GLN  50           HA       GLN  50   2.083 -13.998   1.115
  376   1HB   GLN  50          1HB       GLN  50   3.015 -11.289   0.177
  377   2HB   GLN  50          2HB       GLN  50   3.902 -12.473   1.126
  378   1HG   GLN  50          1HG       GLN  50   3.122 -13.626  -1.375
  379   2HG   GLN  50          2HG       GLN  50   3.954 -12.097  -1.649
  380   1HE2  GLN  50          2HE2      GLN  50   5.851 -12.805  -2.391
  381   2HE2  GLN  50          1HE2      GLN  50   6.941 -13.801  -1.499
  382    H    TYR  51           H        TYR  51   1.036 -10.635   0.544
  383    HA   TYR  51           HA       TYR  51  -0.320 -10.663   3.135
  384   1HB   TYR  51          1HB       TYR  51   1.340  -8.274   2.399
  385   2HB   TYR  51          2HB       TYR  51   0.749  -8.769   3.982
  386    HD1  TYR  51           HD1      TYR  51   1.779 -10.882   5.014
  387    HD2  TYR  51           HD2      TYR  51   3.514  -8.802   1.734
  388    HE1  TYR  51           HE1      TYR  51   3.946 -11.942   5.496
  389    HE2  TYR  51           HE2      TYR  51   5.685  -9.856   2.205
  390    HH   TYR  51           HH       TYR  51   6.685 -11.584   3.343
  391    H    ARG  52           H        ARG  52  -1.359 -10.804   0.490
  392    HA   ARG  52           HA       ARG  52  -2.139  -8.471  -0.711
  393   1HB   ARG  52          2HB       ARG  52  -2.758 -11.147  -0.968
  394   2HB   ARG  52          1HB       ARG  52  -4.305 -10.428  -0.546
  395   1HG   ARG  52          2HG       ARG  52  -4.502 -10.027  -2.730
  396   2HG   ARG  52          1HG       ARG  52  -3.372  -8.702  -2.444
  397   1HD   ARG  52          2HD       ARG  52  -2.395 -11.471  -3.043
  398   2HD   ARG  52          1HD       ARG  52  -2.859 -10.369  -4.338
  399    HE   ARG  52           HE       ARG  52  -0.455 -10.302  -2.838
  400   1HH1  ARG  52          2HH1      ARG  52  -2.823  -8.242  -4.345
  401   2HH1  ARG  52          1HH1      ARG  52  -1.713  -6.940  -4.607
  402   1HH2  ARG  52          2HH2      ARG  52   1.017  -8.592  -3.179
  403   2HH2  ARG  52          1HH2      ARG  52   0.471  -7.138  -3.944
  404    H    MET  53           H        MET  53  -3.732 -10.115   2.010
  405    HA   MET  53           HA       MET  53  -5.889  -8.332   2.252
  406   1HB   MET  53          1HB       MET  53  -6.036  -9.206   4.604
  407   2HB   MET  53          2HB       MET  53  -6.011 -10.447   3.360
  408   1HG   MET  53          1HG       MET  53  -3.373 -10.234   3.922
  409   2HG   MET  53          2HG       MET  53  -4.086  -9.866   5.492
  410   1HE   MET  53          1HE       MET  53  -2.854 -12.403   3.157
  411   2HE   MET  53          2HE       MET  53  -4.479 -12.559   2.492
  412   3HE   MET  53          3HE       MET  53  -3.778 -13.881   3.425
  413    H    THR  54           H        THR  54  -2.733  -8.392   3.895
  414    HA   THR  54           HA       THR  54  -3.088  -6.213   5.581
  415    HB   THR  54           HB       THR  54  -0.611  -7.227   4.178
  416    HG1  THR  54           HG1      THR  54  -1.828  -7.675   6.665
  417   1HG2  THR  54          1HG2      THR  54  -0.645  -5.347   6.520
  418   2HG2  THR  54          2HG2      THR  54  -0.316  -4.851   4.859
  419   3HG2  THR  54          3HG2      THR  54   0.761  -5.989   5.671
  420    H    ILE  55           H        ILE  55  -2.124  -6.325   2.189
  421    HA   ILE  55           HA       ILE  55  -1.493  -3.608   1.904
  422    HB   ILE  55           HB       ILE  55  -2.560  -5.429  -0.241
  423   1HG1  ILE  55          2HG1      ILE  55   0.351  -4.914   0.086
  424   2HG1  ILE  55          1HG1      ILE  55  -0.400  -6.006   1.247
  425   1HG2  ILE  55          1HG2      ILE  55  -2.521  -3.010  -0.772
  426   2HG2  ILE  55          2HG2      ILE  55  -1.426  -3.957  -1.777
  427   3HG2  ILE  55          3HG2      ILE  55  -0.788  -2.998  -0.442
  428   1HD1  ILE  55          1HD1      ILE  55   0.445  -6.530  -1.413
  429   2HD1  ILE  55          2HD1      ILE  55  -1.298  -6.776  -1.309
  430   3HD1  ILE  55          3HD1      ILE  55  -0.218  -7.644  -0.217
  431    H    TRP  56           H        TRP  56  -4.483  -5.301   0.897
  432    HA   TRP  56           HA       TRP  56  -5.966  -3.098   0.156
  433   1HB   TRP  56          1HB       TRP  56  -6.914  -5.197  -0.298
  434   2HB   TRP  56          2HB       TRP  56  -6.702  -5.756   1.355
  435    HD1  TRP  56           HD1      TRP  56  -8.544  -2.538   0.244
  436    HE1  TRP  56           HE1      TRP  56 -10.970  -2.688   1.108
  437    HE3  TRP  56           HE3      TRP  56  -8.409  -7.237   2.224
  438    HZ2  TRP  56           HZ2      TRP  56 -12.595  -4.536   2.443
  439    HZ3  TRP  56           HZ3      TRP  56 -10.450  -8.132   3.283
  440    HH2  TRP  56           HH2      TRP  56 -12.501  -6.807   3.390
  441    H    ARG  57           H        ARG  57  -5.589  -4.512   3.384
  442    HA   ARG  57           HA       ARG  57  -7.308  -2.853   4.802
  443   1HB   ARG  57          1HB       ARG  57  -4.667  -3.923   5.809
  444   2HB   ARG  57          2HB       ARG  57  -6.055  -3.459   6.782
  445   1HG   ARG  57          1HG       ARG  57  -6.830  -5.437   4.855
  446   2HG   ARG  57          2HG       ARG  57  -5.434  -5.995   5.780
  447   1HD   ARG  57          1HD       ARG  57  -6.887  -5.017   7.788
  448   2HD   ARG  57          2HD       ARG  57  -8.197  -5.402   6.675
  449    HE   ARG  57           HE       ARG  57  -6.585  -7.639   6.760
  450   1HH1  ARG  57          2HH2      ARG  57  -8.465  -5.768   9.016
  451   2HH1  ARG  57          1HH2      ARG  57  -8.808  -7.117  10.048
  452   1HH2  ARG  57          2HH1      ARG  57  -7.029  -9.421   8.111
  453   2HH2  ARG  57          1HH1      ARG  57  -7.991  -9.194   9.534
  454    H    GLY  58           H        GLY  58  -3.832  -2.439   4.201
  455   1HA   GLY  58          2HA       GLY  58  -3.502   0.014   5.495
  456   2HA   GLY  58          1HA       GLY  58  -2.519  -0.555   4.153
  457    H    LEU  59           H        LEU  59  -4.498  -0.703   2.181
  458    HA   LEU  59           HA       LEU  59  -4.558   1.953   1.250
  459   1HB   LEU  59          1HB       LEU  59  -5.223  -0.626   0.265
  460   2HB   LEU  59          2HB       LEU  59  -6.619   0.403   0.009
  461    HG   LEU  59           HG       LEU  59  -5.323   1.948  -1.302
  462   1HD1  LEU  59          1HD2      LEU  59  -3.128   0.801   0.106
  463   2HD1  LEU  59          2HD2      LEU  59  -3.156   2.225  -0.933
  464   3HD1  LEU  59          3HD2      LEU  59  -2.849   0.633  -1.626
  465   1HD2  LEU  59          1HD1      LEU  59  -6.132   0.268  -2.675
  466   2HD2  LEU  59          2HD1      LEU  59  -5.057  -0.950  -1.990
  467   3HD2  LEU  59          3HD1      LEU  59  -4.412   0.296  -3.059
  468    H    GLN  60           H        GLN  60  -6.817   0.017   3.079
  469    HA   GLN  60           HA       GLN  60  -9.049   1.774   2.798
  470   1HB   GLN  60          2HB       GLN  60  -8.404  -0.374   4.824
  471   2HB   GLN  60          1HB       GLN  60  -9.922   0.514   4.802
  472   1HG   GLN  60          1HG       GLN  60 -10.245  -0.298   2.449
  473   2HG   GLN  60          2HG       GLN  60  -8.853  -1.350   2.703
  474   1HE2  GLN  60          1HE2      GLN  60  -9.097  -3.208   3.809
  475   2HE2  GLN  60          2HE2      GLN  60 -10.592  -3.756   4.478
  476    H    ASP  61           H        ASP  61  -6.244   1.658   4.827
  477    HA   ASP  61           HA       ASP  61  -7.127   3.279   6.950
  478   1HB   ASP  61          2HB       ASP  61  -4.764   1.978   6.268
  479   2HB   ASP  61          1HB       ASP  61  -4.326   3.684   6.254
  480    H    LEU  62           H        LEU  62  -5.928   4.005   3.743
  481    HA   LEU  62           HA       LEU  62  -5.456   6.766   4.112
  482   1HB   LEU  62          1HB       LEU  62  -6.223   5.252   1.613
  483   2HB   LEU  62          2HB       LEU  62  -5.618   6.897   1.646
  484    HG   LEU  62           HG       LEU  62  -3.966   4.716   2.854
  485   1HD1  LEU  62          1HD2      LEU  62  -3.124   3.960   0.850
  486   2HD1  LEU  62          2HD2      LEU  62  -3.675   5.378  -0.042
  487   3HD1  LEU  62          3HD2      LEU  62  -4.834   4.148   0.464
  488   1HD2  LEU  62          1HD1      LEU  62  -3.596   7.352   2.757
  489   2HD2  LEU  62          2HD1      LEU  62  -2.881   6.919   1.204
  490   3HD2  LEU  62          3HD1      LEU  62  -2.262   6.201   2.691
  491    H    LYS  63           H        LYS  63  -8.261   4.997   2.832
  492    HA   LYS  63           HA       LYS  63  -9.883   7.272   2.431
  493   1HB   LYS  63          1HB       LYS  63 -10.082   4.579   1.868
  494   2HB   LYS  63          2HB       LYS  63 -11.330   4.811   3.083
  495   1HG   LYS  63          2HG       LYS  63 -11.075   6.137   0.403
  496   2HG   LYS  63          1HG       LYS  63 -12.383   5.117   1.003
  497   1HD   LYS  63          1HD       LYS  63 -13.453   6.966   1.617
  498   2HD   LYS  63          2HD       LYS  63 -12.192   7.232   2.823
  499   1HE   LYS  63          2HE       LYS  63 -11.059   8.126   0.461
  500   2HE   LYS  63          1HE       LYS  63 -12.735   8.660   0.354
  501   1HZ   LYS  63          1HZ       LYS  63 -11.624   9.131   2.941
  502   2HZ   LYS  63          2HZ       LYS  63 -12.383  10.211   1.884
  503   3HZ   LYS  63          3HZ       LYS  63 -10.728   9.900   1.730
  504    H    GLN  64           H        GLN  64 -10.061   4.786   4.987
  505    HA   GLN  64           HA       GLN  64 -11.895   6.211   6.589
  506   1HB   GLN  64          2HB       GLN  64  -9.905   4.152   7.550
  507   2HB   GLN  64          1HB       GLN  64 -11.439   4.578   8.294
  508   1HG   GLN  64          2HG       GLN  64 -11.808   3.738   5.561
  509   2HG   GLN  64          1HG       GLN  64 -10.951   2.515   6.500
  510   1HE2  GLN  64          2HE2      GLN  64 -11.967   2.342   8.826
  511   2HE2  GLN  64          1HE2      GLN  64 -13.679   2.118   8.830
  512    H    GLY  65           H        GLY  65  -8.476   6.461   6.183
  513   1HA   GLY  65          2HA       GLY  65  -8.058   7.856   8.693
  514   2HA   GLY  65          1HA       GLY  65  -6.850   7.544   7.457
  515    H    HIS  66           H        HIS  66  -9.219   8.727   5.650
  516    HA   HIS  66           HA       HIS  66  -8.190  11.460   5.858
  517   1HB   HIS  66          1HB       HIS  66  -9.167   9.757   3.660
  518   2HB   HIS  66          2HB       HIS  66  -9.707  11.430   3.585
  519    HD1  HIS  66           HD1      HIS  66  -8.069  11.078   1.334
  520    HD2  HIS  66           HD2      HIS  66  -6.272  11.532   5.053
  521    HE1  HIS  66           HE1      HIS  66  -5.703  11.783   0.857
  522    HE2  HIS  66           HE2      HIS  66  -4.634  12.052   3.121
  523    H    ASP  67           H        ASP  67  -9.507  13.217   6.164
  524    HA   ASP  67           HA       ASP  67 -11.278  14.355   7.057
  525   1HB   ASP  67          2HB       ASP  67 -13.477  12.943   5.987
  526   2HB   ASP  67          1HB       ASP  67 -12.857  14.515   5.506
  527    H    TYR  68           HN       TYR  68 -11.292  13.864   9.174
  528    HA   TYR  68           HA       TYR  68 -13.455  12.725  10.384
  529   1HB   TYR  68          2HB       TYR  68 -11.979  10.660   9.280
  530   2HB   TYR  68          1HB       TYR  68 -11.520  10.667  10.979
  531    HD1  TYR  68           HD1      TYR  68 -12.856   9.601  12.549
  532    HD2  TYR  68           HD2      TYR  68 -14.531  10.675   8.789
  533    HE1  TYR  68           HE1      TYR  68 -14.918   8.397  13.132
  534    HE2  TYR  68           HE2      TYR  68 -16.599   9.474   9.361
  535    HH   TYR  68           HH       TYR  68 -17.606   8.758  12.130
  Start of MODEL   12
    1   1H    TYR   1          1H        TYR   1   5.505  10.913  -8.647
    2   2H    TYR   1          2H        TYR   1   6.774  11.194  -9.768
    3   3H    TYR   1          3H        TYR   1   5.293  10.513 -10.302
    4    HA   TYR   1           HA       TYR   1   5.268  12.718 -10.951
    5   1HB   TYR   1          2HB       TYR   1   3.545  11.721  -8.809
    6   2HB   TYR   1          1HB       TYR   1   3.569  13.479  -8.895
    7    HD1  TYR   1           HD1      TYR   1   3.517  10.697 -11.400
    8    HD2  TYR   1           HD2      TYR   1   1.785  14.343 -10.058
    9    HE1  TYR   1           HE1      TYR   1   1.924  10.622 -13.272
   10    HE2  TYR   1           HE2      TYR   1   0.187  14.279 -11.925
   11    HH   TYR   1           HH       TYR   1  -0.831  12.420 -13.414
   12    H    HIS   2           H        HIS   2   7.660  13.096 -10.181
   13    HA   HIS   2           HA       HIS   2   9.194  14.437  -9.156
   14   1HB   HIS   2          2HB       HIS   2   6.866  16.354  -8.939
   15   2HB   HIS   2          1HB       HIS   2   8.577  16.768  -8.974
   16    HD1  HIS   2           HD1      HIS   2   9.808  16.461 -11.291
   17    HD2  HIS   2           HD2      HIS   2   5.676  16.042 -11.405
   18    HE1  HIS   2           HE1      HIS   2   9.184  16.618 -13.722
   19    HE2  HIS   2           HE2      HIS   2   6.678  16.361 -13.768
   20    H    ALA   3           H        ALA   3   9.467  13.152  -7.289
   21    HA   ALA   3           HA       ALA   3   9.619  12.797  -5.046
   22   1HB   ALA   3          1HB       ALA   3  10.321  15.053  -4.818
   23   2HB   ALA   3          2HB       ALA   3   9.130  14.758  -3.551
   24   3HB   ALA   3          3HB       ALA   3   8.673  15.653  -5.000
   25    H    ASP   4           H        ASP   4   8.315  11.366  -4.140
   26    HA   ASP   4           HA       ASP   4   5.650  12.134  -3.306
   27   1HB   ASP   4          2HB       ASP   4   4.711   9.987  -4.356
   28   2HB   ASP   4          1HB       ASP   4   5.009  11.348  -5.434
   29    HA   PRO   5           HA       PRO   5   8.145   9.208  -0.556
   30   1HB   PRO   5          2HB       PRO   5   7.861  10.769   1.684
   31   2HB   PRO   5          1HB       PRO   5   9.239  10.858   0.583
   32   1HG   PRO   5          2HG       PRO   5   6.804  12.594   0.720
   33   2HG   PRO   5          1HG       PRO   5   8.498  13.056   0.467
   34   1HD   PRO   5          1HD       PRO   5   6.755  12.915  -1.572
   35   2HD   PRO   5          2HD       PRO   5   8.459  12.455  -1.770
   36    H    SER   6           H        SER   6   5.158  11.031  -0.104
   37    HA   SER   6           HA       SER   6   4.104   9.277   1.896
   38   1HB   SER   6          1HB       SER   6   1.900  10.531   1.024
   39   2HB   SER   6          2HB       SER   6   3.067  11.312   2.092
   40    HG   SER   6           HG       SER   6   2.938  12.741   0.504
   41    H    LEU   7           H        LEU   7   4.764   7.394   0.374
   42    HA   LEU   7           HA       LEU   7   2.402   6.135  -0.497
   43   1HB   LEU   7          1HB       LEU   7   2.467   7.555  -2.409
   44   2HB   LEU   7          2HB       LEU   7   4.183   7.280  -2.640
   45    HG   LEU   7           HG       LEU   7   2.553   6.118  -4.241
   46   1HD1  LEU   7          1HD1      LEU   7   4.293   4.061  -3.020
   47   2HD1  LEU   7          2HD1      LEU   7   5.063   5.557  -3.549
   48   3HD1  LEU   7          3HD1      LEU   7   4.151   4.581  -4.699
   49   1HD2  LEU   7          1HD2      LEU   7   1.565   4.061  -3.527
   50   2HD2  LEU   7          2HD2      LEU   7   1.027   5.336  -2.434
   51   3HD2  LEU   7          3HD2      LEU   7   2.287   4.210  -1.925
   52    H    VAL   8           H        VAL   8   5.784   6.156  -1.641
   53    HA   VAL   8           HA       VAL   8   6.049   3.370  -1.756
   54    HB   VAL   8           HB       VAL   8   8.253   5.389  -1.315
   55   1HG1  VAL   8          1HG2      VAL   8   9.758   3.764  -2.121
   56   2HG1  VAL   8          2HG2      VAL   8   8.453   2.706  -2.657
   57   3HG1  VAL   8          3HG2      VAL   8   8.756   2.932  -0.934
   58   1HG2  VAL   8          1HG1      VAL   8   7.043   6.054  -3.252
   59   2HG2  VAL   8          2HG1      VAL   8   6.937   4.393  -3.834
   60   3HG2  VAL   8          3HG1      VAL   8   8.493   5.220  -3.811
   61    H    SER   9           H        SER   9   6.894   5.664   0.814
   62    HA   SER   9           HA       SER   9   8.129   3.853   2.549
   63   1HB   SER   9          1HB       SER   9   6.532   6.012   3.797
   64   2HB   SER   9          2HB       SER   9   8.233   5.597   4.008
   65    HG   SER   9           HG       SER   9   7.526   7.636   2.792
   66    H    PHE  10           H        PHE  10   4.794   4.323   1.786
   67    HA   PHE  10           HA       PHE  10   3.897   2.862   4.146
   68   1HB   PHE  10          1HB       PHE  10   2.727   4.791   2.386
   69   2HB   PHE  10          2HB       PHE  10   1.749   3.328   2.341
   70    HD1  PHE  10           HD1      PHE  10   2.295   6.352   4.017
   71    HD2  PHE  10           HD2      PHE  10   1.210   2.294   4.703
   72    HE1  PHE  10           HE1      PHE  10   1.235   6.998   6.141
   73    HE2  PHE  10           HE2      PHE  10   0.149   2.933   6.828
   74    HZ   PHE  10           HZ       PHE  10   0.160   5.288   7.550
   75    H    LEU  11           H        LEU  11   3.753   2.553   0.602
   76    HA   LEU  11           HA       LEU  11   2.419   0.171   0.356
   77   1HB   LEU  11          2HB       LEU  11   3.297   1.672  -1.478
   78   2HB   LEU  11          1HB       LEU  11   4.857   0.905  -1.255
   79    HG   LEU  11           HG       LEU  11   3.437   0.040  -3.164
   80   1HD1  LEU  11          1HD1      LEU  11   4.483  -1.960  -3.033
   81   2HD1  LEU  11          2HD1      LEU  11   3.932  -2.264  -1.385
   82   3HD1  LEU  11          3HD1      LEU  11   5.294  -1.182  -1.674
   83   1HD2  LEU  11          1HD2      LEU  11   1.958  -1.624  -1.207
   84   2HD2  LEU  11          2HD2      LEU  11   1.498  -1.096  -2.825
   85   3HD2  LEU  11          3HD2      LEU  11   1.395   0.026  -1.469
   86    H    THR  12           H        THR  12   5.919   0.588   0.741
   87    HA   THR  12           HA       THR  12   6.422  -2.216   0.972
   88    HB   THR  12           HB       THR  12   8.127   0.206   1.585
   89    HG1  THR  12           HG1      THR  12   7.797  -0.008  -0.588
   90   1HG2  THR  12          1HG2      THR  12   9.487  -1.158   2.688
   91   2HG2  THR  12          2HG2      THR  12   9.867  -1.839   1.105
   92   3HG2  THR  12          3HG2      THR  12   8.647  -2.604   2.125
   93    H    GLY  13           H        GLY  13   6.358   0.491   3.280
   94   1HA   GLY  13          2HA       GLY  13   7.039  -0.853   5.599
   95   2HA   GLY  13          1HA       GLY  13   5.950   0.525   5.542
   96    H    LEU  14           H        LEU  14   4.019  -0.911   3.850
   97    HA   LEU  14           HA       LEU  14   2.343  -1.938   5.841
   98   1HB   LEU  14          2HB       LEU  14   2.123  -1.233   3.188
   99   2HB   LEU  14          1HB       LEU  14   1.875  -2.963   3.141
  100    HG   LEU  14           HG       LEU  14  -0.032  -2.816   4.564
  101   1HD1  LEU  14          1HD2      LEU  14   0.073  -1.325   6.222
  102   2HD1  LEU  14          2HD2      LEU  14  -0.557  -0.163   5.053
  103   3HD1  LEU  14          3HD2      LEU  14   1.181  -0.283   5.329
  104   1HD2  LEU  14          1HD1      LEU  14  -0.045  -1.919   2.082
  105   2HD2  LEU  14          2HD1      LEU  14  -0.481  -0.410   2.882
  106   3HD2  LEU  14          3HD1      LEU  14  -1.485  -1.843   3.099
  107    H    GLY  15           H        GLY  15   4.966  -3.381   4.184
  108   1HA   GLY  15          1HA       GLY  15   5.740  -5.486   5.250
  109   2HA   GLY  15          2HA       GLY  15   4.083  -6.049   5.090
  110    H    CYS  16           H        CYS  16   5.092  -4.178   2.434
  111    HA   CYS  16           HA       CYS  16   5.664  -6.635   0.908
  112   1HB   CYS  16          1HB       CYS  16   3.918  -4.299   0.337
  113   2HB   CYS  16          2HB       CYS  16   4.809  -4.975  -1.023
  114    HG   CYS  16           HG       CYS  16   2.633  -6.270  -1.011
  115    HA   PRO  17           HA       PRO  17   9.277  -3.701   0.521
  116   1HB   PRO  17          2HB       PRO  17  11.195  -5.292   1.527
  117   2HB   PRO  17          1HB       PRO  17  10.148  -4.319   2.569
  118   1HG   PRO  17          2HG       PRO  17   9.964  -7.230   1.882
  119   2HG   PRO  17          1HG       PRO  17   9.766  -6.439   3.456
  120   1HD   PRO  17          2HD       PRO  17   7.670  -7.210   1.883
  121   2HD   PRO  17          1HD       PRO  17   7.591  -5.856   3.027
  122    H    ASN  18           H        ASN  18   8.337  -6.705  -0.715
  123    HA   ASN  18           HA       ASN  18  10.345  -6.473  -2.838
  124   1HB   ASN  18          2HB       ASN  18   9.519  -9.110  -1.606
  125   2HB   ASN  18          1HB       ASN  18  10.721  -8.864  -2.871
  126   1HD2  ASN  18          2HD2      ASN  18  10.097  -8.896   0.481
  127   2HD2  ASN  18          1HD2      ASN  18  11.688  -8.492   1.016
  128    H    CYS  19           H        CYS  19   7.346  -5.948  -2.410
  129    HA   CYS  19           HA       CYS  19   6.406  -7.531  -4.709
  130   1HB   CYS  19          1HB       CYS  19   4.857  -6.402  -2.374
  131   2HB   CYS  19          2HB       CYS  19   4.095  -7.070  -3.813
  132    HG   CYS  19           HG       CYS  19   5.880  -9.162  -2.705
  133    H    ILE  20           H        ILE  20   6.944  -4.373  -3.439
  134    HA   ILE  20           HA       ILE  20   5.202  -2.788  -4.862
  135    HB   ILE  20           HB       ILE  20   6.752  -1.892  -3.197
  136   1HG1  ILE  20          1HG1      ILE  20   7.521  -0.443  -5.691
  137   2HG1  ILE  20          2HG1      ILE  20   5.806  -0.584  -5.312
  138   1HG2  ILE  20          1HG2      ILE  20   8.665  -3.352  -4.308
  139   2HG2  ILE  20          2HG2      ILE  20   9.021  -1.898  -3.373
  140   3HG2  ILE  20          3HG2      ILE  20   8.994  -1.830  -5.137
  141   1HD1  ILE  20          1HD1      ILE  20   6.407   1.441  -4.375
  142   2HD1  ILE  20          2HD1      ILE  20   7.956   0.827  -3.797
  143   3HD1  ILE  20          3HD1      ILE  20   6.460   0.332  -3.004
  144    H    GLU  21           H        GLU  21   8.121  -4.394  -5.973
  145    HA   GLU  21           HA       GLU  21   8.526  -3.088  -8.392
  146   1HB   GLU  21          2HB       GLU  21   8.898  -6.034  -7.822
  147   2HB   GLU  21          1HB       GLU  21   9.647  -5.136  -9.134
  148   1HG   GLU  21          2HG       GLU  21  10.318  -3.744  -6.811
  149   2HG   GLU  21          1HG       GLU  21  10.497  -5.451  -6.408
  150    H    TYR  22           H        TYR  22   6.445  -5.860  -7.646
  151    HA   TYR  22           HA       TYR  22   5.445  -6.062 -10.327
  152   1HB   TYR  22          1HB       TYR  22   4.069  -7.235  -7.930
  153   2HB   TYR  22          2HB       TYR  22   4.182  -7.879  -9.566
  154    HD1  TYR  22           HD1      TYR  22   5.436  -8.106  -6.284
  155    HD2  TYR  22           HD2      TYR  22   6.610  -8.507 -10.351
  156    HE1  TYR  22           HE1      TYR  22   7.347  -9.486  -5.589
  157    HE2  TYR  22           HE2      TYR  22   8.525  -9.892  -9.669
  158    HH   TYR  22           HH       TYR  22   9.911 -10.260  -7.667
  159    H    PHE  23           H        PHE  23   4.476  -4.456  -7.382
  160    HA   PHE  23           HA       PHE  23   1.823  -3.822  -8.212
  161   1HB   PHE  23          1HB       PHE  23   3.641  -2.950  -6.013
  162   2HB   PHE  23          2HB       PHE  23   2.260  -1.927  -6.397
  163    HD1  PHE  23           HD1      PHE  23   3.372  -5.011  -4.877
  164    HD2  PHE  23           HD2      PHE  23  -0.035  -2.824  -6.187
  165    HE1  PHE  23           HE1      PHE  23   1.924  -6.465  -3.523
  166    HE2  PHE  23           HE2      PHE  23  -1.491  -4.275  -4.833
  167    HZ   PHE  23           HZ       PHE  23  -0.512  -6.099  -3.500
  168    H    THR  24           H        THR  24   4.923  -2.109  -8.276
  169    HA   THR  24           HA       THR  24   3.964   0.311  -9.347
  170    HB   THR  24           HB       THR  24   6.343   0.648 -10.076
  171    HG1  THR  24           HG1      THR  24   7.162  -1.292 -10.504
  172   1HG2  THR  24          1HG2      THR  24   6.033   1.440  -7.936
  173   2HG2  THR  24          2HG2      THR  24   7.348   0.283  -7.733
  174   3HG2  THR  24          3HG2      THR  24   5.703  -0.164  -7.280
  175    H    SER  25           H        SER  25   4.730  -2.753 -10.800
  176    HA   SER  25           HA       SER  25   5.158  -2.088 -13.439
  177   1HB   SER  25          1HB       SER  25   5.142  -4.408 -12.316
  178   2HB   SER  25          2HB       SER  25   3.413  -4.421 -12.666
  179    HG   SER  25           HG       SER  25   5.558  -4.722 -14.359
  180    H    GLN  26           H        GLN  26   2.240  -1.856 -11.597
  181    HA   GLN  26           HA       GLN  26   0.650  -1.396 -14.018
  182   1HB   GLN  26          2HB       GLN  26  -0.587  -1.297 -11.311
  183   2HB   GLN  26          1HB       GLN  26  -1.238  -1.921 -12.819
  184   1HG   GLN  26          2HG       GLN  26   0.925  -3.290 -11.245
  185   2HG   GLN  26          1HG       GLN  26  -0.794  -3.634 -11.061
  186   1HE2  GLN  26          2HE2      GLN  26   0.988  -5.598 -11.765
  187   2HE2  GLN  26          1HE2      GLN  26   0.693  -6.086 -13.395
  188    H    GLY  27           H        GLY  27   1.270   0.102 -10.847
  189   1HA   GLY  27          1HA       GLY  27   1.882   2.625 -11.546
  190   2HA   GLY  27          2HA       GLY  27   0.135   2.617 -11.735
  191    H    LEU  28           H        LEU  28   2.154   0.999  -9.306
  192    HA   LEU  28           HA       LEU  28   0.548   2.294  -7.233
  193   1HB   LEU  28          1HB       LEU  28   1.585  -0.322  -7.576
  194   2HB   LEU  28          2HB       LEU  28   2.376   0.369  -6.172
  195    HG   LEU  28           HG       LEU  28   0.302  -0.933  -5.667
  196   1HD1  LEU  28          1HD2      LEU  28  -0.748   1.194  -4.416
  197   2HD1  LEU  28          2HD2      LEU  28   0.828   1.855  -4.851
  198   3HD1  LEU  28          3HD2      LEU  28   0.725   0.387  -3.880
  199   1HD2  LEU  28          1HD1      LEU  28  -0.764   0.869  -7.662
  200   2HD2  LEU  28          2HD1      LEU  28  -1.691   0.930  -6.163
  201   3HD2  LEU  28          3HD1      LEU  28  -1.455  -0.609  -6.991
  202    H    GLN  29           H        GLN  29   2.504   3.855  -8.538
  203    HA   GLN  29           HA       GLN  29   4.627   4.121  -6.529
  204   1HB   GLN  29          1HB       GLN  29   5.149   6.033  -8.452
  205   2HB   GLN  29          2HB       GLN  29   5.905   4.452  -8.340
  206   1HG   GLN  29          1HG       GLN  29   3.972   3.623  -9.791
  207   2HG   GLN  29          2HG       GLN  29   3.656   5.328 -10.113
  208   1HE2  GLN  29          2HE2      GLN  29   5.573   6.587 -10.874
  209   2HE2  GLN  29          1HE2      GLN  29   6.635   5.812 -11.995
  210    H    SER  30           H        SER  30   1.812   5.637  -7.855
  211    HA   SER  30           HA       SER  30   2.146   7.918  -6.025
  212   1HB   SER  30          2HB       SER  30  -0.040   8.173  -7.928
  213   2HB   SER  30          1HB       SER  30   1.306   9.270  -7.619
  214    HG   SER  30           HG       SER  30   1.294   8.392  -9.761
  215    H    ILE  31           H        ILE  31   1.150   7.486  -4.156
  216    HA   ILE  31           HA       ILE  31  -0.643   5.547  -3.579
  217    HB   ILE  31           HB       ILE  31   0.463   7.132  -1.950
  218   1HG1  ILE  31          1HG1      ILE  31  -2.143   7.055  -0.787
  219   2HG1  ILE  31          2HG1      ILE  31  -1.948   5.622  -1.794
  220   1HG2  ILE  31          1HG2      ILE  31  -0.283   9.243  -2.820
  221   2HG2  ILE  31          2HG2      ILE  31  -0.929   9.037  -1.192
  222   3HG2  ILE  31          3HG2      ILE  31  -1.971   8.784  -2.593
  223   1HD1  ILE  31          1HD1      ILE  31   0.435   5.925  -0.325
  224   2HD1  ILE  31          2HD1      ILE  31  -0.798   4.674  -0.170
  225   3HD1  ILE  31          3HD1      ILE  31  -0.909   6.143   0.798
  226    H    TYR  32           H        TYR  32  -1.340   8.566  -5.160
  227    HA   TYR  32           HA       TYR  32  -4.105   8.707  -4.818
  228   1HB   TYR  32          2HB       TYR  32  -2.222   9.652  -6.950
  229   2HB   TYR  32          1HB       TYR  32  -3.958   9.787  -7.208
  230    HD1  TYR  32           HD1      TYR  32  -4.818  11.873  -6.758
  231    HD2  TYR  32           HD2      TYR  32  -1.587  10.445  -4.387
  232    HE1  TYR  32           HE1      TYR  32  -4.850  13.964  -5.466
  233    HE2  TYR  32           HE2      TYR  32  -1.610  12.533  -3.087
  234    HH   TYR  32           HH       TYR  32  -3.279  14.340  -2.535
  235    H    HIS  33           H        HIS  33  -2.177   6.509  -6.650
  236    HA   HIS  33           HA       HIS  33  -4.348   5.653  -8.362
  237   1HB   HIS  33          2HB       HIS  33  -1.465   5.049  -8.081
  238   2HB   HIS  33          1HB       HIS  33  -2.469   3.725  -8.663
  239    HD1  HIS  33           HD1      HIS  33  -1.639   3.744 -11.057
  240    HD2  HIS  33           HD2      HIS  33  -3.077   7.435  -9.799
  241    HE1  HIS  33           HE1      HIS  33  -1.773   5.157 -13.133
  242    HE2  HIS  33           HE2      HIS  33  -2.646   7.387 -12.349
  243    H    LEU  34           H        LEU  34  -3.143   4.873  -5.239
  244    HA   LEU  34           HA       LEU  34  -4.701   2.375  -5.229
  245   1HB   LEU  34          1HB       LEU  34  -3.315   2.079  -3.012
  246   2HB   LEU  34          2HB       LEU  34  -2.645   1.663  -4.574
  247    HG   LEU  34           HG       LEU  34  -2.167   4.382  -3.407
  248   1HD1  LEU  34          1HD1      LEU  34  -1.218   1.852  -2.352
  249   2HD1  LEU  34          2HD1      LEU  34  -1.087   3.480  -1.684
  250   3HD1  LEU  34          3HD1      LEU  34   0.102   2.909  -2.855
  251   1HD2  LEU  34          1HD2      LEU  34   0.076   3.648  -4.701
  252   2HD2  LEU  34          2HD2      LEU  34  -1.271   4.475  -5.479
  253   3HD2  LEU  34          3HD2      LEU  34  -1.119   2.724  -5.610
  254    H    GLN  35           H        GLN  35  -5.392   5.352  -4.676
  255    HA   GLN  35           HA       GLN  35  -6.126   5.512  -1.949
  256   1HB   GLN  35          1HB       GLN  35  -5.855   7.453  -3.526
  257   2HB   GLN  35          2HB       GLN  35  -7.385   6.993  -4.262
  258   1HG   GLN  35          1HG       GLN  35  -8.476   8.153  -2.739
  259   2HG   GLN  35          2HG       GLN  35  -7.782   7.151  -1.465
  260   1HE2  GLN  35          2HE2      GLN  35  -6.360   8.030  -0.105
  261   2HE2  GLN  35          1HE2      GLN  35  -5.690   9.616  -0.252
  262    H    ASN  36           H        ASN  36  -7.538   3.920  -4.648
  263    HA   ASN  36           HA       ASN  36  -9.870   3.241  -2.997
  264   1HB   ASN  36          1HB       ASN  36  -9.810   4.346  -5.763
  265   2HB   ASN  36          2HB       ASN  36 -11.020   3.120  -5.398
  266   1HD2  ASN  36          2HD2      ASN  36 -10.130   6.371  -5.132
  267   2HD2  ASN  36          1HD2      ASN  36 -11.455   6.906  -4.163
  268    H    LEU  37           H        LEU  37  -7.292   1.885  -3.685
  269    HA   LEU  37           HA       LEU  37  -8.101  -0.333  -5.358
  270   1HB   LEU  37          2HB       LEU  37  -5.627   0.797  -4.451
  271   2HB   LEU  37          1HB       LEU  37  -5.667  -0.904  -4.033
  272    HG   LEU  37           HG       LEU  37  -6.397  -0.105  -6.814
  273   1HD1  LEU  37          1HD2      LEU  37  -3.867   0.491  -5.570
  274   2HD1  LEU  37          2HD2      LEU  37  -4.441   0.875  -7.193
  275   3HD1  LEU  37          3HD2      LEU  37  -3.672  -0.680  -6.874
  276   1HD2  LEU  37          1HD1      LEU  37  -6.480  -2.461  -5.779
  277   2HD2  LEU  37          2HD1      LEU  37  -4.724  -2.421  -5.921
  278   3HD2  LEU  37          3HD1      LEU  37  -5.729  -2.261  -7.361
  279    H    THR  38           H        THR  38  -9.128  -2.034  -4.617
  280    HA   THR  38           HA       THR  38  -9.191  -2.575  -1.729
  281    HB   THR  38           HB       THR  38 -10.851  -4.247  -3.499
  282    HG1  THR  38           HG1      THR  38 -11.729  -2.727  -4.624
  283   1HG2  THR  38          1HG2      THR  38 -12.647  -3.586  -2.021
  284   2HG2  THR  38          2HG2      THR  38 -11.592  -2.413  -1.238
  285   3HG2  THR  38          3HG2      THR  38 -11.245  -4.135  -1.106
  286    H    ILE  39           H        ILE  39  -9.532  -5.012  -1.283
  287    HA   ILE  39           HA       ILE  39  -7.149  -6.383  -1.933
  288    HB   ILE  39           HB       ILE  39  -8.487  -6.717   0.153
  289   1HG1  ILE  39          1HG1      ILE  39  -8.273  -9.314   0.016
  290   2HG1  ILE  39          2HG1      ILE  39  -7.593  -8.995  -1.579
  291   1HG2  ILE  39          1HG2      ILE  39 -10.498  -7.790   0.223
  292   2HG2  ILE  39          2HG2      ILE  39 -10.221  -8.646  -1.294
  293   3HG2  ILE  39          3HG2      ILE  39 -10.648  -6.934  -1.311
  294   1HD1  ILE  39          1HD1      ILE  39  -5.654  -8.321  -0.730
  295   2HD1  ILE  39          2HD1      ILE  39  -6.202  -9.068   0.770
  296   3HD1  ILE  39          3HD1      ILE  39  -6.435  -7.338   0.510
  297    H    GLU  40           H        GLU  40 -10.378  -6.325  -3.197
  298    HA   GLU  40           HA       GLU  40 -10.374  -8.616  -4.782
  299   1HB   GLU  40          1HB       GLU  40 -11.667  -5.950  -5.381
  300   2HB   GLU  40          2HB       GLU  40 -12.087  -7.485  -6.128
  301   1HG   GLU  40          2HG       GLU  40 -12.236  -7.169  -3.163
  302   2HG   GLU  40          1HG       GLU  40 -13.530  -6.555  -4.192
  303    H    ASP  41           H        ASP  41  -9.258  -5.335  -5.483
  304    HA   ASP  41           HA       ASP  41  -8.291  -6.077  -8.106
  305   1HB   ASP  41          2HB       ASP  41  -8.737  -3.604  -6.620
  306   2HB   ASP  41          1HB       ASP  41  -7.214  -3.592  -7.502
  307    H    LEU  42           H        LEU  42  -7.008  -5.606  -4.885
  308    HA   LEU  42           HA       LEU  42  -4.298  -5.349  -5.395
  309   1HB   LEU  42          2HB       LEU  42  -5.711  -6.814  -3.165
  310   2HB   LEU  42          1HB       LEU  42  -3.985  -6.537  -3.189
  311    HG   LEU  42           HG       LEU  42  -6.103  -4.799  -2.285
  312   1HD1  LEU  42          1HD2      LEU  42  -3.104  -4.696  -2.153
  313   2HD1  LEU  42          2HD2      LEU  42  -4.208  -5.362  -0.948
  314   3HD1  LEU  42          3HD2      LEU  42  -4.190  -3.627  -1.264
  315   1HD2  LEU  42          1HD1      LEU  42  -5.504  -2.724  -3.232
  316   2HD2  LEU  42          2HD1      LEU  42  -5.760  -3.819  -4.588
  317   3HD2  LEU  42          3HD1      LEU  42  -4.121  -3.421  -4.076
  318    H    GLY  43           H        GLY  43  -5.939  -8.410  -4.566
  319   1HA   GLY  43          1HA       GLY  43  -3.825 -10.093  -5.301
  320   2HA   GLY  43          2HA       GLY  43  -5.514 -10.571  -5.208
  321    H    ALA  44           H        ALA  44  -6.141  -8.416  -7.239
  322    HA   ALA  44           HA       ALA  44  -6.251  -9.991  -9.527
  323   1HB   ALA  44          1HB       ALA  44  -7.306  -8.242 -10.476
  324   2HB   ALA  44          2HB       ALA  44  -6.051  -7.095 -10.005
  325   3HB   ALA  44          3HB       ALA  44  -7.279  -7.589  -8.838
  326    H    LEU  45           H        LEU  45  -3.796  -7.715  -8.443
  327    HA   LEU  45           HA       LEU  45  -2.235  -7.581 -10.741
  328   1HB   LEU  45          2HB       LEU  45  -1.658  -7.315  -7.813
  329   2HB   LEU  45          1HB       LEU  45  -0.369  -7.165  -8.993
  330    HG   LEU  45           HG       LEU  45  -1.512  -5.275 -10.020
  331   1HD1  LEU  45          1HD2      LEU  45  -3.806  -5.890  -9.675
  332   2HD1  LEU  45          2HD2      LEU  45  -3.518  -4.319  -8.926
  333   3HD1  LEU  45          3HD2      LEU  45  -3.615  -5.768  -7.925
  334   1HD2  LEU  45          1HD1      LEU  45  -1.142  -3.675  -8.302
  335   2HD2  LEU  45          2HD1      LEU  45   0.011  -4.985  -8.046
  336   3HD2  LEU  45          3HD1      LEU  45  -1.436  -4.875  -7.042
  337    H    LYS  46           H        LYS  46  -2.749 -10.228  -8.644
  338    HA   LYS  46           HA       LYS  46  -2.039 -12.399  -8.827
  339   1HB   LYS  46          2HB       LYS  46   0.164 -11.668 -10.717
  340   2HB   LYS  46          1HB       LYS  46  -0.770 -13.155 -10.619
  341   1HG   LYS  46          1HG       LYS  46  -2.585 -11.094 -11.214
  342   2HG   LYS  46          2HG       LYS  46  -1.189 -10.871 -12.269
  343   1HD   LYS  46          2HD       LYS  46  -2.868 -13.358 -11.966
  344   2HD   LYS  46          1HD       LYS  46  -2.766 -12.306 -13.381
  345   1HE   LYS  46          2HE       LYS  46  -0.286 -12.878 -13.424
  346   2HE   LYS  46          1HE       LYS  46  -0.673 -14.158 -12.276
  347   1HZ   LYS  46          1HZ       LYS  46  -1.104 -14.063 -15.101
  348   2HZ   LYS  46          2HZ       LYS  46  -2.514 -14.469 -14.260
  349   3HZ   LYS  46          3HZ       LYS  46  -1.110 -15.392 -14.055
  350    H    ILE  47           H        ILE  47  -0.826 -10.087  -7.274
  351    HA   ILE  47           HA       ILE  47   1.874 -10.952  -6.717
  352    HB   ILE  47           HB       ILE  47   0.305  -9.099  -4.950
  353   1HG1  ILE  47          2HG1      ILE  47  -0.128  -8.281  -7.188
  354   2HG1  ILE  47          1HG1      ILE  47   1.038  -7.220  -6.409
  355   1HG2  ILE  47          1HG2      ILE  47   2.494  -9.700  -4.173
  356   2HG2  ILE  47          2HG2      ILE  47   2.523  -8.022  -4.716
  357   3HG2  ILE  47          3HG2      ILE  47   3.205  -9.289  -5.734
  358   1HD1  ILE  47          1HD1      ILE  47   2.018  -7.438  -8.439
  359   2HD1  ILE  47          2HD1      ILE  47   1.375  -9.059  -8.701
  360   3HD1  ILE  47          3HD1      ILE  47   2.751  -8.820  -7.623
  361    HA   PRO  48           HA       PRO  48   1.226 -14.263  -3.860
  362   1HB   PRO  48          1HB       PRO  48   2.853 -12.964  -1.854
  363   2HB   PRO  48          2HB       PRO  48   3.241 -14.366  -2.850
  364   1HG   PRO  48          2HG       PRO  48   3.977 -11.547  -3.226
  365   2HG   PRO  48          1HG       PRO  48   4.716 -13.002  -3.914
  366   1HD   PRO  48          2HD       PRO  48   3.284 -11.275  -5.411
  367   2HD   PRO  48          1HD       PRO  48   3.288 -13.021  -5.732
  368    H    GLU  49           H        GLU  49  -0.221 -14.694  -2.282
  369    HA   GLU  49           HA       GLU  49  -1.695 -12.441  -1.190
  370   1HB   GLU  49          1HB       GLU  49  -3.392 -14.055  -0.601
  371   2HB   GLU  49          2HB       GLU  49  -2.877 -14.347  -2.257
  372   1HG   GLU  49          2HG       GLU  49  -1.472 -15.866  -0.156
  373   2HG   GLU  49          1HG       GLU  49  -3.163 -16.281  -0.436
  374    H    GLN  50           H        GLN  50   1.011 -13.283  -0.167
  375    HA   GLN  50           HA       GLN  50   0.666 -14.423   2.406
  376   1HB   GLN  50          1HB       GLN  50   2.907 -12.662   1.393
  377   2HB   GLN  50          2HB       GLN  50   2.963 -13.685   2.822
  378   1HG   GLN  50          2HG       GLN  50   3.055 -15.636   1.580
  379   2HG   GLN  50          1HG       GLN  50   2.398 -14.866   0.137
  380   1HE2  GLN  50          2HE2      GLN  50   4.887 -16.433   0.734
  381   2HE2  GLN  50          1HE2      GLN  50   6.166 -15.460   0.108
  382    H    TYR  51           H        TYR  51   0.530 -11.168   1.142
  383    HA   TYR  51           HA       TYR  51  -0.427 -10.244   3.749
  384   1HB   TYR  51          1HB       TYR  51   1.228  -8.251   2.353
  385   2HB   TYR  51          2HB       TYR  51   1.145  -8.646   4.066
  386    HD1  TYR  51           HD1      TYR  51   2.584 -10.391   5.013
  387    HD2  TYR  51           HD2      TYR  51   2.859  -9.289   0.913
  388    HE1  TYR  51           HE1      TYR  51   4.758 -11.530   4.858
  389    HE2  TYR  51           HE2      TYR  51   5.033 -10.425   0.747
  390    HH   TYR  51           HH       TYR  51   6.889 -11.219   3.243
  391    H    ARG  52           H        ARG  52  -1.594 -10.863   1.047
  392    HA   ARG  52           HA       ARG  52  -2.275  -8.623  -0.409
  393   1HB   ARG  52          2HB       ARG  52  -3.023 -11.269  -0.410
  394   2HB   ARG  52          1HB       ARG  52  -4.524 -10.458   0.008
  395   1HG   ARG  52          1HG       ARG  52  -4.679  -9.398  -2.021
  396   2HG   ARG  52          2HG       ARG  52  -2.936  -9.437  -2.295
  397   1HD   ARG  52          1HD       ARG  52  -3.376 -11.134  -3.681
  398   2HD   ARG  52          2HD       ARG  52  -3.564 -12.095  -2.215
  399    HE   ARG  52           HE       ARG  52  -5.990 -10.792  -2.930
  400   1HH1  ARG  52          2HH1      ARG  52  -3.952 -13.507  -3.710
  401   2HH1  ARG  52          1HH1      ARG  52  -5.250 -14.468  -4.332
  402   1HH2  ARG  52          2HH2      ARG  52  -7.707 -12.052  -3.748
  403   2HH2  ARG  52          1HH2      ARG  52  -7.385 -13.642  -4.354
  404    H    MET  53           H        MET  53  -4.204 -10.033   2.243
  405    HA   MET  53           HA       MET  53  -6.113  -8.032   2.429
  406   1HB   MET  53          1HB       MET  53  -4.983  -9.573   4.769
  407   2HB   MET  53          2HB       MET  53  -6.583  -8.854   4.646
  408   1HG   MET  53          1HG       MET  53  -6.502 -10.527   2.474
  409   2HG   MET  53          2HG       MET  53  -5.604 -11.424   3.697
  410   1HE   MET  53          1HE       MET  53  -7.028 -12.825   5.757
  411   2HE   MET  53          2HE       MET  53  -6.832 -13.261   4.059
  412   3HE   MET  53          3HE       MET  53  -8.412 -13.405   4.828
  413    H    THR  54           H        THR  54  -3.080  -8.345   4.270
  414    HA   THR  54           HA       THR  54  -3.195  -6.088   5.817
  415    HB   THR  54           HB       THR  54  -0.812  -7.320   4.427
  416    HG1  THR  54           HG1      THR  54  -1.878  -8.627   5.962
  417   1HG2  THR  54          1HG2      THR  54   0.658  -6.188   5.873
  418   2HG2  THR  54          2HG2      THR  54  -0.672  -5.496   6.801
  419   3HG2  THR  54          3HG2      THR  54  -0.375  -4.956   5.148
  420    H    ILE  55           H        ILE  55  -2.122  -6.316   2.444
  421    HA   ILE  55           HA       ILE  55  -1.297  -3.671   2.124
  422    HB   ILE  55           HB       ILE  55  -2.540  -5.445   0.026
  423   1HG1  ILE  55          2HG1      ILE  55   0.398  -5.032   0.237
  424   2HG1  ILE  55          1HG1      ILE  55  -0.349  -6.078   1.442
  425   1HG2  ILE  55          1HG2      ILE  55  -0.730  -3.049  -0.255
  426   2HG2  ILE  55          2HG2      ILE  55  -2.457  -3.077  -0.605
  427   3HG2  ILE  55          3HG2      ILE  55  -1.347  -4.048  -1.572
  428   1HD1  ILE  55          1HD1      ILE  55  -1.304  -6.763  -1.167
  429   2HD1  ILE  55          2HD1      ILE  55  -0.428  -7.750   0.004
  430   3HD1  ILE  55          3HD1      ILE  55   0.460  -6.749  -1.145
  431    H    TRP  56           H        TRP  56  -4.440  -5.086   1.135
  432    HA   TRP  56           HA       TRP  56  -5.686  -2.727   0.424
  433   1HB   TRP  56          1HB       TRP  56  -6.714  -4.861  -0.050
  434   2HB   TRP  56          2HB       TRP  56  -6.908  -5.191   1.668
  435    HD1  TRP  56           HD1      TRP  56  -9.545  -5.484   1.235
  436    HE1  TRP  56           HE1      TRP  56 -11.431  -3.751   1.027
  437    HE3  TRP  56           HE3      TRP  56  -6.766  -1.256   0.378
  438    HZ2  TRP  56           HZ2      TRP  56 -11.732  -1.023   0.589
  439    HZ3  TRP  56           HZ3      TRP  56  -7.952   0.875   0.075
  440    HH2  TRP  56           HH2      TRP  56 -10.385   0.991   0.179
  441    H    ARG  57           H        ARG  57  -5.888  -4.368   3.596
  442    HA   ARG  57           HA       ARG  57  -7.403  -2.609   4.998
  443   1HB   ARG  57          2HB       ARG  57  -4.883  -3.752   6.192
  444   2HB   ARG  57          1HB       ARG  57  -6.407  -3.411   7.000
  445   1HG   ARG  57          1HG       ARG  57  -6.995  -5.230   4.943
  446   2HG   ARG  57          2HG       ARG  57  -5.529  -5.815   5.733
  447   1HD   ARG  57          2HD       ARG  57  -6.885  -5.253   7.918
  448   2HD   ARG  57          1HD       ARG  57  -8.268  -5.448   6.841
  449    HE   ARG  57           HE       ARG  57  -6.799  -7.670   6.370
  450   1HH1  ARG  57          1HH1      ARG  57  -8.013  -6.175   9.270
  451   2HH1  ARG  57          2HH1      ARG  57  -8.171  -7.670  10.130
  452   1HH2  ARG  57          1HH2      ARG  57  -7.003  -9.645   7.492
  453   2HH2  ARG  57          2HH2      ARG  57  -7.597  -9.643   9.119
  454    H    GLY  58           H        GLY  58  -3.981  -2.218   4.238
  455   1HA   GLY  58          1HA       GLY  58  -3.703   0.198   5.771
  456   2HA   GLY  58          2HA       GLY  58  -2.535  -0.453   4.630
  457    H    LEU  59           H        LEU  59  -4.678  -0.607   2.553
  458    HA   LEU  59           HA       LEU  59  -4.312   2.057   1.506
  459   1HB   LEU  59          1HB       LEU  59  -4.901  -0.567   0.475
  460   2HB   LEU  59          2HB       LEU  59  -6.053   0.591  -0.157
  461    HG   LEU  59           HG       LEU  59  -4.280   1.932  -1.096
  462   1HD1  LEU  59          1HD2      LEU  59  -2.341   1.944   0.010
  463   2HD1  LEU  59          2HD2      LEU  59  -1.958   0.482  -0.897
  464   3HD1  LEU  59          3HD2      LEU  59  -2.637   0.360   0.726
  465   1HD2  LEU  59          1HD1      LEU  59  -5.007   0.244  -2.562
  466   2HD2  LEU  59          2HD1      LEU  59  -4.147  -1.014  -1.676
  467   3HD2  LEU  59          3HD1      LEU  59  -3.246   0.176  -2.617
  468    H    GLN  60           H        GLN  60  -6.941   0.125   2.822
  469    HA   GLN  60           HA       GLN  60  -9.018   1.929   2.055
  470   1HB   GLN  60          1HB       GLN  60 -10.476   0.580   3.360
  471   2HB   GLN  60          2HB       GLN  60  -9.324  -0.518   2.617
  472   1HG   GLN  60          2HG       GLN  60  -8.085  -0.676   4.682
  473   2HG   GLN  60          1HG       GLN  60  -9.149   0.508   5.440
  474   1HE2  GLN  60          1HE2      GLN  60  -9.656  -2.394   3.458
  475   2HE2  GLN  60          2HE2      GLN  60 -10.759  -3.155   4.550
  476    H    ASP  61           H        ASP  61  -6.793   1.680   4.696
  477    HA   ASP  61           HA       ASP  61  -8.132   3.326   6.560
  478   1HB   ASP  61          1HB       ASP  61  -5.679   1.928   6.420
  479   2HB   ASP  61          2HB       ASP  61  -5.273   3.611   6.749
  480    H    LEU  62           H        LEU  62  -6.243   3.971   3.720
  481    HA   LEU  62           HA       LEU  62  -5.625   6.690   4.249
  482   1HB   LEU  62          1HB       LEU  62  -5.858   5.117   1.685
  483   2HB   LEU  62          2HB       LEU  62  -5.377   6.801   1.724
  484    HG   LEU  62           HG       LEU  62  -3.849   4.874   3.405
  485   1HD1  LEU  62          1HD2      LEU  62  -4.263   3.989   0.978
  486   2HD1  LEU  62          2HD2      LEU  62  -2.649   3.935   1.688
  487   3HD1  LEU  62          3HD2      LEU  62  -3.068   5.215   0.549
  488   1HD2  LEU  62          1HD1      LEU  62  -2.714   7.020   1.678
  489   2HD2  LEU  62          2HD1      LEU  62  -2.161   6.420   3.242
  490   3HD2  LEU  62          3HD1      LEU  62  -3.579   7.463   3.150
  491    H    LYS  63           H        LYS  63  -8.196   5.133   2.357
  492    HA   LYS  63           HA       LYS  63  -9.554   7.639   1.910
  493   1HB   LYS  63          2HB       LYS  63  -9.483   5.306   0.527
  494   2HB   LYS  63          1HB       LYS  63 -10.992   5.105   1.407
  495   1HG   LYS  63          2HG       LYS  63 -10.301   7.441  -0.363
  496   2HG   LYS  63          1HG       LYS  63 -11.337   6.082  -0.807
  497   1HD   LYS  63          2HD       LYS  63 -13.081   7.129   0.078
  498   2HD   LYS  63          1HD       LYS  63 -12.286   7.113   1.654
  499   1HE   LYS  63          1HE       LYS  63 -11.345   9.231   1.330
  500   2HE   LYS  63          2HE       LYS  63 -11.632   9.189  -0.409
  501   1HZ   LYS  63          1HZ       LYS  63 -13.326  10.135   1.660
  502   2HZ   LYS  63          2HZ       LYS  63 -14.111   8.935   0.763
  503   3HZ   LYS  63          3HZ       LYS  63 -13.490  10.304  -0.015
  504    H    GLN  64           H        GLN  64 -10.429   4.600   3.563
  505    HA   GLN  64           HA       GLN  64 -11.738   4.153   5.338
  506   1HB   GLN  64          2HB       GLN  64 -11.040   6.999   5.881
  507   2HB   GLN  64          1HB       GLN  64 -12.142   6.138   6.935
  508   1HG   GLN  64          2HG       GLN  64  -9.485   4.955   6.281
  509   2HG   GLN  64          1HG       GLN  64  -9.603   6.235   7.488
  510   1HE2  GLN  64          1HE2      GLN  64  -9.552   5.395   9.438
  511   2HE2  GLN  64          2HE2      GLN  64 -10.376   3.968   9.959
  512    H    GLY  65           H        GLY  65 -13.721   3.706   5.124
  513   1HA   GLY  65          2HA       GLY  65 -15.585   5.682   3.978
  514   2HA   GLY  65          1HA       GLY  65 -15.785   3.941   3.873
  515    H    HIS  66           H        HIS  66 -17.696   3.617   4.862
  516    HA   HIS  66           HA       HIS  66 -17.878   4.417   7.686
  517   1HB   HIS  66          1HB       HIS  66 -19.280   5.895   6.206
  518   2HB   HIS  66          2HB       HIS  66 -20.213   4.468   5.765
  519    HD1  HIS  66           HD1      HIS  66 -22.400   5.079   6.848
  520    HD2  HIS  66           HD2      HIS  66 -19.185   5.319   9.469
  521    HE1  HIS  66           HE1      HIS  66 -23.412   5.439   9.123
  522    HE2  HIS  66           HE2      HIS  66 -21.448   5.582  10.694
  523    H    ASP  67           H        ASP  67 -18.355   2.786   9.020
  524    HA   ASP  67           HA       ASP  67 -20.179   0.791   8.761
  525   1HB   ASP  67          2HB       ASP  67 -18.613  -1.185   8.212
  526   2HB   ASP  67          1HB       ASP  67 -19.211  -0.210   6.872
  527    H    TYR  68           HN       TYR  68 -20.206  -0.564  10.494
  528    HA   TYR  68           HA       TYR  68 -19.203   0.141  12.892
  529   1HB   TYR  68          1HB       TYR  68 -20.857  -1.539  12.840
  530   2HB   TYR  68          2HB       TYR  68 -19.894  -2.574  11.792
  531    HD1  TYR  68           HD1      TYR  68 -20.723  -1.719  15.193
  532    HD2  TYR  68           HD2      TYR  68 -17.877  -3.738  12.759
  533    HE1  TYR  68           HE1      TYR  68 -19.915  -2.946  17.165
  534    HE2  TYR  68           HE2      TYR  68 -17.061  -4.970  14.724
  535    HH   TYR  68           HH       TYR  68 -17.531  -4.114  17.757
  Start of MODEL   13
    1   1H    TYR   1          1H        TYR   1  13.523  21.318  -0.678
    2   2H    TYR   1          2H        TYR   1  14.742  22.525  -0.623
    3   3H    TYR   1          3H        TYR   1  14.014  21.972   0.830
    4    HA   TYR   1           HA       TYR   1  15.593  20.298  -1.002
    5   1HB   TYR   1          1HB       TYR   1  17.272  20.482   0.924
    6   2HB   TYR   1          2HB       TYR   1  17.104  21.889  -0.121
    7    HD1  TYR   1           HD1      TYR   1  15.678  23.823   0.682
    8    HD2  TYR   1           HD2      TYR   1  16.900  20.651   3.240
    9    HE1  TYR   1           HE1      TYR   1  15.213  25.234   2.643
   10    HE2  TYR   1           HE2      TYR   1  16.439  22.053   5.208
   11    HH   TYR   1           HH       TYR   1  15.362  23.956   5.903
   12    H    HIS   2           H        HIS   2  13.151  19.424  -0.196
   13    HA   HIS   2           HA       HIS   2  13.878  17.311   1.676
   14   1HB   HIS   2          2HB       HIS   2  11.908  19.439   2.208
   15   2HB   HIS   2          1HB       HIS   2  11.325  17.805   2.510
   16    HD1  HIS   2           HD1      HIS   2  12.212  20.233   4.569
   17    HD2  HIS   2           HD2      HIS   2  14.085  16.592   3.853
   18    HE1  HIS   2           HE1      HIS   2  13.577  19.763   6.627
   19    HE2  HIS   2           HE2      HIS   2  14.701  17.554   6.174
   20    H    ALA   3           H        ALA   3  12.310  15.518   1.661
   21    HA   ALA   3           HA       ALA   3  10.979  15.311  -0.960
   22   1HB   ALA   3          1HB       ALA   3  11.665  13.149  -1.175
   23   2HB   ALA   3          2HB       ALA   3  11.696  12.867   0.565
   24   3HB   ALA   3          3HB       ALA   3  12.997  13.776  -0.204
   25    H    ASP   4           H        ASP   4   9.092  13.806  -1.001
   26    HA   ASP   4           HA       ASP   4   7.656  13.679   1.553
   27   1HB   ASP   4          1HB       ASP   4   7.097  15.674  -0.194
   28   2HB   ASP   4          2HB       ASP   4   6.009  14.424  -0.790
   29    HA   PRO   5           HA       PRO   5   7.267   9.896  -1.292
   30   1HB   PRO   5          1HB       PRO   5   8.722   8.152   0.188
   31   2HB   PRO   5          2HB       PRO   5   9.435   9.164  -1.073
   32   1HG   PRO   5          2HG       PRO   5   9.401   9.571   1.895
   33   2HG   PRO   5          1HG       PRO   5  10.739   9.794   0.752
   34   1HD   PRO   5          2HD       PRO   5   9.266  11.863   1.698
   35   2HD   PRO   5          1HD       PRO   5   9.979  11.862   0.073
   36    H    SER   6           H        SER   6   5.160  10.583  -0.076
   37    HA   SER   6           HA       SER   6   4.585   9.128   2.336
   38   1HB   SER   6          2HB       SER   6   2.605  10.515   0.521
   39   2HB   SER   6          1HB       SER   6   2.416  10.141   2.234
   40    HG   SER   6           HG       SER   6   3.807  12.198   1.004
   41    H    LEU   7           H        LEU   7   4.530   8.363  -0.985
   42    HA   LEU   7           HA       LEU   7   2.451   6.346  -0.705
   43   1HB   LEU   7          1HB       LEU   7   2.415   7.568  -2.756
   44   2HB   LEU   7          2HB       LEU   7   4.120   7.275  -3.034
   45    HG   LEU   7           HG       LEU   7   2.430   5.942  -4.425
   46   1HD1  LEU   7          1HD1      LEU   7   4.288   4.092  -3.024
   47   2HD1  LEU   7          2HD1      LEU   7   4.960   5.480  -3.880
   48   3HD1  LEU   7          3HD1      LEU   7   3.981   4.297  -4.748
   49   1HD2  LEU   7          1HD2      LEU   7   1.379   5.308  -1.978
   50   2HD2  LEU   7          2HD2      LEU   7   2.319   3.871  -2.376
   51   3HD2  LEU   7          3HD2      LEU   7   1.071   4.442  -3.483
   52    H    VAL   8           H        VAL   8   5.887   6.437  -1.659
   53    HA   VAL   8           HA       VAL   8   6.296   3.689  -1.820
   54    HB   VAL   8           HB       VAL   8   8.334   5.725  -0.916
   55   1HG1  VAL   8          1HG2      VAL   8   8.983   3.321  -2.543
   56   2HG1  VAL   8          2HG2      VAL   8   8.690   3.114  -0.816
   57   3HG1  VAL   8          3HG2      VAL   8   9.971   4.193  -1.371
   58   1HG2  VAL   8          1HG1      VAL   8   7.725   6.656  -2.908
   59   2HG2  VAL   8          2HG1      VAL   8   7.160   5.125  -3.578
   60   3HG2  VAL   8          3HG1      VAL   8   8.889   5.466  -3.492
   61    H    SER   9           H        SER   9   7.097   5.826   0.923
   62    HA   SER   9           HA       SER   9   7.909   3.857   2.696
   63   1HB   SER   9          1HB       SER   9   7.815   5.491   4.372
   64   2HB   SER   9          2HB       SER   9   8.009   6.442   2.900
   65    HG   SER   9           HG       SER   9   5.571   6.455   2.966
   66    H    PHE  10           H        PHE  10   4.724   4.626   1.631
   67    HA   PHE  10           HA       PHE  10   3.444   3.335   3.895
   68   1HB   PHE  10          1HB       PHE  10   2.572   5.373   2.489
   69   2HB   PHE  10          2HB       PHE  10   1.986   4.123   1.397
   70    HD1  PHE  10           HD1      PHE  10   1.726   5.481   4.811
   71    HD2  PHE  10           HD2      PHE  10   0.085   2.812   1.930
   72    HE1  PHE  10           HE1      PHE  10  -0.273   5.199   6.216
   73    HE2  PHE  10           HE2      PHE  10  -1.918   2.526   3.330
   74    HZ   PHE  10           HZ       PHE  10  -2.099   3.720   5.477
   75    H    LEU  11           H        LEU  11   3.584   2.803   0.371
   76    HA   LEU  11           HA       LEU  11   2.213   0.440   0.183
   77   1HB   LEU  11          2HB       LEU  11   3.336   1.852  -1.648
   78   2HB   LEU  11          1HB       LEU  11   4.774   0.904  -1.319
   79    HG   LEU  11           HG       LEU  11   3.347   0.142  -3.270
   80   1HD1  LEU  11          1HD1      LEU  11   4.780  -1.305  -1.344
   81   2HD1  LEU  11          2HD1      LEU  11   4.410  -1.784  -3.001
   82   3HD1  LEU  11          3HD1      LEU  11   3.329  -2.247  -1.686
   83   1HD2  LEU  11          1HD2      LEU  11   1.291  -0.856  -2.954
   84   2HD2  LEU  11          2HD2      LEU  11   1.217   0.494  -1.823
   85   3HD2  LEU  11          3HD2      LEU  11   1.569  -1.130  -1.234
   86    H    THR  12           H        THR  12   5.689   0.802   0.771
   87    HA   THR  12           HA       THR  12   6.129  -1.985   1.169
   88    HB   THR  12           HB       THR  12   7.801   0.442   1.842
   89    HG1  THR  12           HG1      THR  12   8.344   0.294  -0.161
   90   1HG2  THR  12          1HG2      THR  12   9.552  -1.631   1.589
   91   2HG2  THR  12          2HG2      THR  12   8.240  -2.351   2.521
   92   3HG2  THR  12          3HG2      THR  12   9.042  -0.894   3.108
   93    H    GLY  13           H        GLY  13   5.825   0.803   3.347
   94   1HA   GLY  13          2HA       GLY  13   6.327  -0.410   5.776
   95   2HA   GLY  13          1HA       GLY  13   5.199   0.919   5.558
   96    H    LEU  14           H        LEU  14   3.432  -0.582   3.812
   97    HA   LEU  14           HA       LEU  14   1.707  -1.684   5.741
   98   1HB   LEU  14          2HB       LEU  14   1.560  -0.863   3.099
   99   2HB   LEU  14          1HB       LEU  14   1.262  -2.583   3.006
  100    HG   LEU  14           HG       LEU  14  -0.665  -2.420   4.390
  101   1HD1  LEU  14          1HD2      LEU  14  -1.048   0.275   4.944
  102   2HD1  LEU  14          2HD2      LEU  14   0.646  -0.025   5.336
  103   3HD1  LEU  14          3HD2      LEU  14  -0.620  -0.991   6.095
  104   1HD2  LEU  14          1HD1      LEU  14  -1.024   0.075   2.827
  105   2HD2  LEU  14          2HD1      LEU  14  -2.048  -1.357   2.927
  106   3HD2  LEU  14          3HD1      LEU  14  -0.581  -1.388   1.946
  107    H    GLY  15           H        GLY  15   4.420  -3.010   4.186
  108   1HA   GLY  15          1HA       GLY  15   5.149  -5.177   5.119
  109   2HA   GLY  15          2HA       GLY  15   3.501  -5.731   4.862
  110    H    CYS  16           H        CYS  16   4.634  -3.689   2.383
  111    HA   CYS  16           HA       CYS  16   5.151  -6.045   0.692
  112   1HB   CYS  16          1HB       CYS  16   3.745  -3.463   0.204
  113   2HB   CYS  16          2HB       CYS  16   4.614  -4.190  -1.142
  114    HG   CYS  16           HG       CYS  16   1.940  -4.925  -0.622
  115    HA   PRO  17           HA       PRO  17   9.069  -3.433   0.920
  116   1HB   PRO  17          2HB       PRO  17  10.719  -5.409   1.774
  117   2HB   PRO  17          1HB       PRO  17   9.810  -4.376   2.882
  118   1HG   PRO  17          1HG       PRO  17   9.166  -7.139   1.907
  119   2HG   PRO  17          2HG       PRO  17   9.071  -6.486   3.554
  120   1HD   PRO  17          2HD       PRO  17   6.890  -6.737   1.991
  121   2HD   PRO  17          1HD       PRO  17   7.076  -5.401   3.145
  122    H    ASN  18           H        ASN  18   8.349  -6.660  -0.282
  123    HA   ASN  18           HA       ASN  18  10.139  -6.133  -2.558
  124   1HB   ASN  18          1HB       ASN  18   9.539  -8.891  -1.482
  125   2HB   ASN  18          2HB       ASN  18  10.758  -8.434  -2.669
  126   1HD2  ASN  18          1HD2      ASN  18  12.746  -8.090  -1.977
  127   2HD2  ASN  18          2HD2      ASN  18  13.217  -7.870  -0.329
  128    H    CYS  19           H        CYS  19   7.162  -5.789  -1.986
  129    HA   CYS  19           HA       CYS  19   6.138  -7.464  -4.169
  130   1HB   CYS  19          1HB       CYS  19   4.885  -6.343  -1.701
  131   2HB   CYS  19          2HB       CYS  19   3.873  -6.568  -3.124
  132    HG   CYS  19           HG       CYS  19   3.868  -8.698  -1.529
  133    H    ILE  20           H        ILE  20   6.656  -4.226  -3.054
  134    HA   ILE  20           HA       ILE  20   4.954  -2.753  -4.658
  135    HB   ILE  20           HB       ILE  20   6.348  -1.697  -2.975
  136   1HG1  ILE  20          1HG1      ILE  20   7.235  -0.562  -5.623
  137   2HG1  ILE  20          2HG1      ILE  20   5.557  -0.466  -5.097
  138   1HG2  ILE  20          1HG2      ILE  20   8.342  -3.250  -3.741
  139   2HG2  ILE  20          2HG2      ILE  20   8.626  -1.707  -2.932
  140   3HG2  ILE  20          3HG2      ILE  20   8.769  -1.822  -4.687
  141   1HD1  ILE  20          1HD1      ILE  20   6.364   0.692  -3.037
  142   2HD1  ILE  20          2HD1      ILE  20   6.604   1.582  -4.541
  143   3HD1  ILE  20          3HD1      ILE  20   7.962   0.753  -3.779
  144    H    GLU  21           H        GLU  21   7.890  -4.456  -5.497
  145    HA   GLU  21           HA       GLU  21   8.415  -3.276  -7.984
  146   1HB   GLU  21          1HB       GLU  21   9.631  -5.357  -8.504
  147   2HB   GLU  21          2HB       GLU  21  10.019  -4.748  -6.902
  148   1HG   GLU  21          1HG       GLU  21   8.176  -6.386  -6.109
  149   2HG   GLU  21          2HG       GLU  21   8.432  -7.152  -7.676
  150    H    TYR  22           H        TYR  22   6.371  -6.027  -7.096
  151    HA   TYR  22           HA       TYR  22   5.528  -6.566  -9.775
  152   1HB   TYR  22          1HB       TYR  22   4.243  -7.362  -7.151
  153   2HB   TYR  22          2HB       TYR  22   3.867  -8.045  -8.730
  154    HD1  TYR  22           HD1      TYR  22   5.164  -9.801  -9.635
  155    HD2  TYR  22           HD2      TYR  22   6.532  -7.734  -6.178
  156    HE1  TYR  22           HE1      TYR  22   6.918 -11.494  -9.324
  157    HE2  TYR  22           HE2      TYR  22   8.290  -9.419  -5.858
  158    HH   TYR  22           HH       TYR  22   9.555 -11.079  -7.400
  159    H    PHE  23           H        PHE  23   4.439  -4.533  -7.166
  160    HA   PHE  23           HA       PHE  23   1.870  -3.954  -8.279
  161   1HB   PHE  23          1HB       PHE  23   3.383  -3.238  -5.907
  162   2HB   PHE  23          2HB       PHE  23   2.555  -1.841  -6.585
  163    HD1  PHE  23           HD1      PHE  23   2.250  -4.440  -4.326
  164    HD2  PHE  23           HD2      PHE  23   0.037  -2.401  -7.335
  165    HE1  PHE  23           HE1      PHE  23   0.150  -5.180  -3.278
  166    HE2  PHE  23           HE2      PHE  23  -2.067  -3.137  -6.292
  167    HZ   PHE  23           HZ       PHE  23  -2.012  -4.528  -4.262
  168    H    THR  24           H        THR  24   4.917  -2.110  -8.052
  169    HA   THR  24           HA       THR  24   4.183   0.176  -9.389
  170    HB   THR  24           HB       THR  24   6.573   0.358 -10.082
  171    HG1  THR  24           HG1      THR  24   6.551  -2.326  -9.273
  172   1HG2  THR  24          1HG2      THR  24   5.759  -0.224  -7.311
  173   2HG2  THR  24          2HG2      THR  24   6.518   1.210  -8.001
  174   3HG2  THR  24          3HG2      THR  24   7.489  -0.221  -7.654
  175    H    SER  25           H        SER  25   4.942  -2.974 -10.738
  176    HA   SER  25           HA       SER  25   5.330  -2.371 -13.398
  177   1HB   SER  25          1HB       SER  25   3.636  -4.725 -12.592
  178   2HB   SER  25          2HB       SER  25   4.843  -4.618 -13.873
  179    HG   SER  25           HG       SER  25   6.362  -5.065 -12.482
  180    H    GLN  26           H        GLN  26   2.426  -2.138 -11.538
  181    HA   GLN  26           HA       GLN  26   0.796  -1.816 -13.950
  182   1HB   GLN  26          2HB       GLN  26  -0.307  -1.677 -11.168
  183   2HB   GLN  26          1HB       GLN  26  -1.087  -2.224 -12.646
  184   1HG   GLN  26          2HG       GLN  26   1.009  -3.682 -11.059
  185   2HG   GLN  26          1HG       GLN  26  -0.697  -4.103 -11.216
  186   1HE2  GLN  26          2HE2      GLN  26   0.604  -6.140 -11.799
  187   2HE2  GLN  26          1HE2      GLN  26   0.881  -6.386 -13.484
  188    H    GLY  27           H        GLY  27   1.719  -0.122 -10.981
  189   1HA   GLY  27          1HA       GLY  27   2.196   2.350 -11.679
  190   2HA   GLY  27          2HA       GLY  27   0.466   2.333 -11.984
  191    H    LEU  28           H        LEU  28   2.339   0.840  -9.367
  192    HA   LEU  28           HA       LEU  28   0.584   2.165  -7.453
  193   1HB   LEU  28          1HB       LEU  28   1.551  -0.413  -7.653
  194   2HB   LEU  28          2HB       LEU  28   2.549   0.290  -6.395
  195    HG   LEU  28           HG       LEU  28   0.601  -0.852  -5.472
  196   1HD1  LEU  28          1HD2      LEU  28   1.360   0.853  -4.078
  197   2HD1  LEU  28          2HD2      LEU  28  -0.365   1.185  -4.235
  198   3HD1  LEU  28          3HD2      LEU  28   0.803   2.119  -5.169
  199   1HD2  LEU  28          1HD1      LEU  28  -1.031   1.195  -6.963
  200   2HD2  LEU  28          2HD1      LEU  28  -1.646  -0.024  -5.846
  201   3HD2  LEU  28          3HD1      LEU  28  -0.915  -0.517  -7.373
  202    H    GLN  29           H        GLN  29   2.488   3.809  -8.674
  203    HA   GLN  29           HA       GLN  29   4.538   4.207  -6.613
  204   1HB   GLN  29          2HB       GLN  29   5.360   5.964  -8.306
  205   2HB   GLN  29          1HB       GLN  29   5.563   4.266  -8.718
  206   1HG   GLN  29          2HG       GLN  29   3.726   4.325 -10.221
  207   2HG   GLN  29          1HG       GLN  29   3.245   5.927  -9.664
  208   1HE2  GLN  29          2HE2      GLN  29   3.781   5.147 -12.350
  209   2HE2  GLN  29          1HE2      GLN  29   5.117   6.091 -12.905
  210    H    SER  30           H        SER  30   1.606   5.500  -7.909
  211    HA   SER  30           HA       SER  30   1.852   7.859  -6.164
  212   1HB   SER  30          1HB       SER  30   1.500   8.633  -8.382
  213   2HB   SER  30          2HB       SER  30   0.278   7.401  -8.698
  214    HG   SER  30           HG       SER  30  -0.788   9.303  -8.302
  215    H    ILE  31           H        ILE  31   0.923   7.417  -4.257
  216    HA   ILE  31           HA       ILE  31  -0.859   5.433  -3.654
  217    HB   ILE  31           HB       ILE  31   0.349   6.964  -2.033
  218   1HG1  ILE  31          1HG1      ILE  31  -2.174   6.905  -0.730
  219   2HG1  ILE  31          2HG1      ILE  31  -2.113   5.517  -1.812
  220   1HG2  ILE  31          1HG2      ILE  31  -0.837   8.907  -1.206
  221   2HG2  ILE  31          2HG2      ILE  31  -2.126   8.645  -2.381
  222   3HG2  ILE  31          3HG2      ILE  31  -0.509   9.086  -2.931
  223   1HD1  ILE  31          1HD1      ILE  31  -1.146   5.537   0.702
  224   2HD1  ILE  31          2HD1      ILE  31   0.306   5.946  -0.212
  225   3HD1  ILE  31          3HD1      ILE  31  -0.576   4.463  -0.575
  226    H    TYR  32           H        TYR  32  -1.512   8.454  -5.215
  227    HA   TYR  32           HA       TYR  32  -4.272   8.661  -4.769
  228   1HB   TYR  32          1HB       TYR  32  -2.474   9.582  -7.002
  229   2HB   TYR  32          2HB       TYR  32  -4.211   9.867  -7.051
  230    HD1  TYR  32           HD1      TYR  32  -5.048  10.742  -4.542
  231    HD2  TYR  32           HD2      TYR  32  -1.274  11.439  -6.378
  232    HE1  TYR  32           HE1      TYR  32  -4.758  12.761  -3.167
  233    HE2  TYR  32           HE2      TYR  32  -0.973  13.459  -5.008
  234    HH   TYR  32           HH       TYR  32  -3.534  14.786  -3.104
  235    H    HIS  33           H        HIS  33  -2.426   6.461  -6.681
  236    HA   HIS  33           HA       HIS  33  -4.648   5.701  -8.373
  237   1HB   HIS  33          2HB       HIS  33  -2.004   5.611  -8.794
  238   2HB   HIS  33          1HB       HIS  33  -2.229   3.984  -8.162
  239    HD1  HIS  33           HD1      HIS  33  -5.255   4.174  -9.667
  240    HD2  HIS  33           HD2      HIS  33  -1.419   4.217 -11.268
  241    HE1  HIS  33           HE1      HIS  33  -5.515   3.435 -12.057
  242    HE2  HIS  33           HE2      HIS  33  -3.182   3.467 -13.007
  243    H    LEU  34           H        LEU  34  -3.429   4.839  -5.286
  244    HA   LEU  34           HA       LEU  34  -5.008   2.355  -5.314
  245   1HB   LEU  34          1HB       LEU  34  -3.616   2.009  -3.109
  246   2HB   LEU  34          2HB       LEU  34  -2.957   1.615  -4.682
  247    HG   LEU  34           HG       LEU  34  -2.445   4.320  -3.511
  248   1HD1  LEU  34          1HD1      LEU  34  -1.331   1.727  -2.592
  249   2HD1  LEU  34          2HD1      LEU  34  -1.649   3.208  -1.690
  250   3HD1  LEU  34          3HD1      LEU  34  -0.235   3.101  -2.739
  251   1HD2  LEU  34          1HD2      LEU  34  -0.216   3.708  -4.741
  252   2HD2  LEU  34          2HD2      LEU  34  -1.620   4.257  -5.653
  253   3HD2  LEU  34          3HD2      LEU  34  -1.240   2.539  -5.572
  254    H    GLN  35           H        GLN  35  -5.592   5.375  -4.642
  255    HA   GLN  35           HA       GLN  35  -6.308   5.510  -1.939
  256   1HB   GLN  35          1HB       GLN  35  -6.124   7.446  -3.526
  257   2HB   GLN  35          2HB       GLN  35  -7.659   6.950  -4.227
  258   1HG   GLN  35          2HG       GLN  35  -8.657   8.236  -2.727
  259   2HG   GLN  35          1HG       GLN  35  -8.141   7.089  -1.493
  260   1HE2  GLN  35          1HE2      GLN  35  -7.599   8.276   0.161
  261   2HE2  GLN  35          2HE2      GLN  35  -6.468   9.572   0.132
  262    H    ASN  36           H        ASN  36  -7.805   3.896  -4.589
  263    HA   ASN  36           HA       ASN  36 -10.064   3.198  -2.840
  264   1HB   ASN  36          1HB       ASN  36 -10.116   4.303  -5.600
  265   2HB   ASN  36          2HB       ASN  36 -11.277   3.033  -5.223
  266   1HD2  ASN  36          2HD2      ASN  36 -10.546   6.308  -5.003
  267   2HD2  ASN  36          1HD2      ASN  36 -11.845   6.785  -3.973
  268    H    LEU  37           H        LEU  37  -7.469   1.871  -3.718
  269    HA   LEU  37           HA       LEU  37  -8.310  -0.355  -5.332
  270   1HB   LEU  37          2HB       LEU  37  -5.853   0.746  -4.483
  271   2HB   LEU  37          1HB       LEU  37  -5.906  -0.891  -3.858
  272    HG   LEU  37           HG       LEU  37  -6.223  -0.090  -6.753
  273   1HD1  LEU  37          1HD2      LEU  37  -4.034  -1.846  -5.848
  274   2HD1  LEU  37          2HD2      LEU  37  -3.919  -0.150  -5.379
  275   3HD1  LEU  37          3HD2      LEU  37  -4.047  -0.587  -7.082
  276   1HD2  LEU  37          1HD1      LEU  37  -5.811  -2.740  -6.804
  277   2HD2  LEU  37          2HD1      LEU  37  -7.415  -2.005  -6.798
  278   3HD2  LEU  37          3HD1      LEU  37  -6.714  -2.607  -5.295
  279    H    THR  38           H        THR  38  -8.647  -2.481  -4.670
  280    HA   THR  38           HA       THR  38  -8.968  -2.876  -1.770
  281    HB   THR  38           HB       THR  38 -10.817  -4.515  -3.236
  282    HG1  THR  38           HG1      THR  38 -10.990  -3.043  -4.826
  283   1HG2  THR  38          1HG2      THR  38 -11.463  -4.112  -1.083
  284   2HG2  THR  38          2HG2      THR  38 -12.460  -2.951  -1.959
  285   3HG2  THR  38          3HG2      THR  38 -10.994  -2.412  -1.139
  286    H    ILE  39           H        ILE  39  -9.311  -5.275  -1.271
  287    HA   ILE  39           HA       ILE  39  -7.042  -6.739  -2.040
  288    HB   ILE  39           HB       ILE  39  -8.327  -7.157   0.035
  289   1HG1  ILE  39          1HG1      ILE  39  -8.329  -9.708  -0.200
  290   2HG1  ILE  39          2HG1      ILE  39  -7.864  -9.444  -1.877
  291   1HG2  ILE  39          1HG2      ILE  39 -10.387  -8.382   0.010
  292   2HG2  ILE  39          2HG2      ILE  39 -10.331  -8.523  -1.747
  293   3HG2  ILE  39          3HG2      ILE  39 -10.567  -6.943  -0.996
  294   1HD1  ILE  39          1HD1      ILE  39  -5.769  -9.473  -1.165
  295   2HD1  ILE  39          2HD1      ILE  39  -6.263  -9.355   0.524
  296   3HD1  ILE  39          3HD1      ILE  39  -6.084  -7.893  -0.447
  297    H    GLU  40           H        GLU  40 -10.292  -6.539  -3.258
  298    HA   GLU  40           HA       GLU  40 -10.371  -8.759  -4.929
  299   1HB   GLU  40          1HB       GLU  40 -11.610  -6.047  -5.415
  300   2HB   GLU  40          2HB       GLU  40 -12.081  -7.546  -6.202
  301   1HG   GLU  40          1HG       GLU  40 -12.149  -7.812  -3.332
  302   2HG   GLU  40          2HG       GLU  40 -13.141  -6.460  -3.876
  303    H    ASP  41           H        ASP  41  -9.293  -5.450  -5.634
  304    HA   ASP  41           HA       ASP  41  -8.345  -6.204  -8.260
  305   1HB   ASP  41          2HB       ASP  41  -8.545  -3.669  -6.701
  306   2HB   ASP  41          1HB       ASP  41  -7.365  -3.743  -8.007
  307    H    LEU  42           H        LEU  42  -7.090  -6.256  -5.097
  308    HA   LEU  42           HA       LEU  42  -4.356  -5.740  -5.676
  309   1HB   LEU  42          2HB       LEU  42  -5.733  -7.178  -3.411
  310   2HB   LEU  42          1HB       LEU  42  -3.996  -7.002  -3.492
  311    HG   LEU  42           HG       LEU  42  -5.933  -5.190  -2.426
  312   1HD1  LEU  42          1HD2      LEU  42  -2.945  -5.293  -2.598
  313   2HD1  LEU  42          2HD2      LEU  42  -3.989  -5.652  -1.223
  314   3HD1  LEU  42          3HD2      LEU  42  -3.795  -3.987  -1.772
  315   1HD2  LEU  42          1HD1      LEU  42  -5.782  -4.244  -4.804
  316   2HD2  LEU  42          2HD1      LEU  42  -4.139  -3.778  -4.369
  317   3HD2  LEU  42          3HD1      LEU  42  -5.508  -3.143  -3.455
  318    H    GLY  43           H        GLY  43  -6.121  -8.775  -5.035
  319   1HA   GLY  43          1HA       GLY  43  -4.001 -10.495  -5.742
  320   2HA   GLY  43          2HA       GLY  43  -5.701 -10.935  -5.690
  321    H    ALA  44           H        ALA  44  -6.195  -8.662  -7.664
  322    HA   ALA  44           HA       ALA  44  -6.331 -10.166 -10.007
  323   1HB   ALA  44          1HB       ALA  44  -6.331  -7.198  -9.539
  324   2HB   ALA  44          2HB       ALA  44  -7.697  -8.256  -9.888
  325   3HB   ALA  44          3HB       ALA  44  -6.516  -7.897 -11.147
  326    H    LEU  45           H        LEU  45  -3.773  -8.238  -8.653
  327    HA   LEU  45           HA       LEU  45  -2.112  -8.160 -10.961
  328   1HB   LEU  45          2HB       LEU  45  -1.562  -7.796  -8.023
  329   2HB   LEU  45          1HB       LEU  45  -0.337  -7.592  -9.258
  330    HG   LEU  45           HG       LEU  45  -1.535  -5.733 -10.215
  331   1HD1  LEU  45          1HD2      LEU  45  -3.642  -6.356  -8.162
  332   2HD1  LEU  45          2HD2      LEU  45  -3.811  -6.382  -9.918
  333   3HD1  LEU  45          3HD2      LEU  45  -3.569  -4.850  -9.077
  334   1HD2  LEU  45          1HD1      LEU  45  -1.643  -4.277  -8.074
  335   2HD2  LEU  45          2HD1      LEU  45  -0.100  -4.968  -8.576
  336   3HD2  LEU  45          3HD1      LEU  45  -1.026  -5.726  -7.279
  337    H    LYS  46           H        LYS  46  -3.007 -10.739  -9.081
  338    HA   LYS  46           HA       LYS  46  -2.207 -12.804  -8.640
  339   1HB   LYS  46          1HB       LYS  46  -1.057 -13.929 -10.464
  340   2HB   LYS  46          2HB       LYS  46  -2.384 -12.951 -11.074
  341   1HG   LYS  46          1HG       LYS  46  -0.883 -11.279 -11.868
  342   2HG   LYS  46          2HG       LYS  46   0.488 -12.064 -11.080
  343   1HD   LYS  46          1HD       LYS  46   0.497 -12.553 -13.455
  344   2HD   LYS  46          2HD       LYS  46   0.180 -14.025 -12.533
  345   1HE   LYS  46          2HE       LYS  46  -2.028 -14.119 -13.188
  346   2HE   LYS  46          1HE       LYS  46  -2.112 -12.390 -13.520
  347   1HZ   LYS  46          1HZ       LYS  46  -1.037 -14.550 -15.197
  348   2HZ   LYS  46          2HZ       LYS  46  -0.414 -12.987 -15.368
  349   3HZ   LYS  46          3HZ       LYS  46  -2.062 -13.272 -15.620
  350    H    ILE  47           H        ILE  47  -0.777 -10.645  -7.437
  351    HA   ILE  47           HA       ILE  47   2.031 -11.380  -7.460
  352    HB   ILE  47           HB       ILE  47   0.619  -9.514  -5.552
  353   1HG1  ILE  47          2HG1      ILE  47   2.021  -8.801  -8.136
  354   2HG1  ILE  47          1HG1      ILE  47   0.272  -8.893  -7.950
  355   1HG2  ILE  47          1HG2      ILE  47   2.780  -8.575  -5.145
  356   2HG2  ILE  47          2HG2      ILE  47   3.507  -9.575  -6.403
  357   3HG2  ILE  47          3HG2      ILE  47   2.890 -10.322  -4.929
  358   1HD1  ILE  47          1HD1      ILE  47   1.181  -6.596  -7.837
  359   2HD1  ILE  47          2HD1      ILE  47   2.042  -7.051  -6.367
  360   3HD1  ILE  47          3HD1      ILE  47   0.279  -7.075  -6.399
  361    HA   PRO  48           HA       PRO  48   2.081 -14.724  -4.560
  362   1HB   PRO  48          1HB       PRO  48   4.026 -12.893  -3.190
  363   2HB   PRO  48          2HB       PRO  48   4.130 -14.638  -3.449
  364   1HG   PRO  48          2HG       PRO  48   5.439 -12.921  -5.034
  365   2HG   PRO  48          1HG       PRO  48   4.717 -14.406  -5.677
  366   1HD   PRO  48          2HD       PRO  48   3.890 -11.608  -6.060
  367   2HD   PRO  48          1HD       PRO  48   3.509 -13.038  -7.036
  368    H    GLU  49           H        GLU  49   0.433 -15.016  -3.210
  369    HA   GLU  49           HA       GLU  49  -0.808 -12.948  -1.747
  370   1HB   GLU  49          2HB       GLU  49  -1.729 -15.252  -2.565
  371   2HB   GLU  49          1HB       GLU  49  -1.132 -15.838  -1.017
  372   1HG   GLU  49          2HG       GLU  49  -2.490 -13.987   0.049
  373   2HG   GLU  49          1HG       GLU  49  -3.246 -13.771  -1.529
  374    H    GLN  50           H        GLN  50   1.313 -12.226  -0.766
  375    HA   GLN  50           HA       GLN  50   2.203 -13.737   1.538
  376   1HB   GLN  50          1HB       GLN  50   3.181 -11.499  -0.058
  377   2HB   GLN  50          2HB       GLN  50   3.368 -11.219   1.669
  378   1HG   GLN  50          2HG       GLN  50   5.343 -12.253   1.166
  379   2HG   GLN  50          1HG       GLN  50   4.349 -13.617   1.668
  380   1HE2  GLN  50          2HE2      GLN  50   6.693 -13.278  -0.190
  381   2HE2  GLN  50          1HE2      GLN  50   6.196 -14.065  -1.643
  382    H    TYR  51           H        TYR  51   1.143 -10.380   1.101
  383    HA   TYR  51           HA       TYR  51  -0.518 -10.609   3.500
  384   1HB   TYR  51          1HB       TYR  51   1.013  -8.077   3.233
  385   2HB   TYR  51          2HB       TYR  51   0.488  -8.926   4.679
  386    HD1  TYR  51           HD1      TYR  51   3.214  -8.306   2.428
  387    HD2  TYR  51           HD2      TYR  51   1.785 -10.972   5.419
  388    HE1  TYR  51           HE1      TYR  51   5.495  -9.167   2.741
  389    HE2  TYR  51           HE2      TYR  51   4.062 -11.842   5.741
  390    HH   TYR  51           HH       TYR  51   6.161 -11.996   4.540
  391    H    ARG  52           H        ARG  52  -1.246 -10.572   0.754
  392    HA   ARG  52           HA       ARG  52  -1.916  -8.183  -0.385
  393   1HB   ARG  52          2HB       ARG  52  -2.462 -10.834  -0.866
  394   2HB   ARG  52          1HB       ARG  52  -4.061 -10.172  -0.550
  395   1HG   ARG  52          1HG       ARG  52  -3.839  -9.939  -2.841
  396   2HG   ARG  52          2HG       ARG  52  -3.388  -8.345  -2.236
  397   1HD   ARG  52          2HD       ARG  52  -1.307 -10.445  -2.692
  398   2HD   ARG  52          1HD       ARG  52  -1.909  -9.473  -4.035
  399    HE   ARG  52           HE       ARG  52  -1.252  -7.603  -2.220
  400   1HH1  ARG  52          1HH2      ARG  52   0.473 -10.352  -3.480
  401   2HH1  ARG  52          2HH2      ARG  52   2.033  -9.622  -3.295
  402   1HH2  ARG  52          1HH1      ARG  52   0.796  -6.632  -1.970
  403   2HH2  ARG  52          2HH1      ARG  52   2.216  -7.506  -2.436
  404    H    MET  53           H        MET  53  -3.713  -9.947   2.113
  405    HA   MET  53           HA       MET  53  -5.953  -8.272   2.222
  406   1HB   MET  53          2HB       MET  53  -4.645 -10.140   4.166
  407   2HB   MET  53          1HB       MET  53  -5.944  -9.094   4.721
  408   1HG   MET  53          2HG       MET  53  -7.489 -10.066   3.207
  409   2HG   MET  53          1HG       MET  53  -6.209 -10.937   2.364
  410   1HE   MET  53          1HE       MET  53  -5.648 -13.649   3.150
  411   2HE   MET  53          2HE       MET  53  -7.060 -13.024   2.297
  412   3HE   MET  53          3HE       MET  53  -7.266 -14.175   3.617
  413    H    THR  54           H        THR  54  -2.958  -8.200   4.150
  414    HA   THR  54           HA       THR  54  -3.503  -6.039   5.771
  415    HB   THR  54           HB       THR  54  -0.885  -6.866   4.508
  416    HG1  THR  54           HG1      THR  54  -0.561  -7.856   6.498
  417   1HG2  THR  54          1HG2      THR  54   0.282  -5.614   6.175
  418   2HG2  THR  54          2HG2      THR  54  -1.234  -5.071   6.894
  419   3HG2  THR  54          3HG2      THR  54  -0.774  -4.517   5.281
  420    H    ILE  55           H        ILE  55  -2.098  -6.004   2.508
  421    HA   ILE  55           HA       ILE  55  -1.687  -3.268   2.266
  422    HB   ILE  55           HB       ILE  55  -2.591  -5.013  -0.013
  423   1HG1  ILE  55          1HG1      ILE  55  -0.875  -6.291   1.025
  424   2HG1  ILE  55          2HG1      ILE  55  -0.100  -5.443  -0.309
  425   1HG2  ILE  55          1HG2      ILE  55  -0.451  -3.000  -0.297
  426   2HG2  ILE  55          2HG2      ILE  55  -2.079  -2.381  -0.019
  427   3HG2  ILE  55          3HG2      ILE  55  -1.759  -3.433  -1.399
  428   1HD1  ILE  55          1HD1      ILE  55   1.297  -5.416   1.667
  429   2HD1  ILE  55          2HD1      ILE  55   0.006  -4.645   2.589
  430   3HD1  ILE  55          3HD1      ILE  55   0.773  -3.784   1.254
  431    H    TRP  56           H        TRP  56  -4.508  -5.145   1.145
  432    HA   TRP  56           HA       TRP  56  -6.094  -3.080   0.257
  433   1HB   TRP  56          1HB       TRP  56  -6.876  -5.241  -0.185
  434   2HB   TRP  56          2HB       TRP  56  -6.690  -5.756   1.486
  435    HD1  TRP  56           HD1      TRP  56  -8.778  -2.764   0.150
  436    HE1  TRP  56           HE1      TRP  56 -11.208  -3.100   0.946
  437    HE3  TRP  56           HE3      TRP  56  -8.279  -7.308   2.435
  438    HZ2  TRP  56           HZ2      TRP  56 -12.700  -5.006   2.342
  439    HZ3  TRP  56           HZ3      TRP  56 -10.266  -8.324   3.482
  440    HH2  TRP  56           HH2      TRP  56 -12.433  -7.195   3.436
  441    H    ARG  57           H        ARG  57  -6.367  -4.571   3.496
  442    HA   ARG  57           HA       ARG  57  -8.092  -2.706   4.600
  443   1HB   ARG  57          2HB       ARG  57  -7.347  -3.507   6.780
  444   2HB   ARG  57          1HB       ARG  57  -7.540  -4.851   5.664
  445   1HG   ARG  57          2HG       ARG  57  -5.274  -5.236   5.522
  446   2HG   ARG  57          1HG       ARG  57  -4.858  -3.592   6.008
  447   1HD   ARG  57          2HD       ARG  57  -6.351  -4.960   8.070
  448   2HD   ARG  57          1HD       ARG  57  -4.902  -5.858   7.622
  449    HE   ARG  57           HE       ARG  57  -4.098  -3.243   7.931
  450   1HH1  ARG  57          2HH2      ARG  57  -5.590  -5.683   9.918
  451   2HH1  ARG  57          1HH2      ARG  57  -4.905  -5.085  11.392
  452   1HH2  ARG  57          1HH1      ARG  57  -3.190  -2.447   9.866
  453   2HH2  ARG  57          2HH1      ARG  57  -3.541  -3.245  11.363
  454    H    GLY  58           H        GLY  58  -4.647  -2.517   4.101
  455   1HA   GLY  58          2HA       GLY  58  -4.284  -0.220   5.812
  456   2HA   GLY  58          1HA       GLY  58  -3.094  -0.903   4.711
  457    H    LEU  59           H        LEU  59  -5.052  -0.817   2.479
  458    HA   LEU  59           HA       LEU  59  -4.435   1.826   1.563
  459   1HB   LEU  59          1HB       LEU  59  -5.177  -0.662   0.409
  460   2HB   LEU  59          2HB       LEU  59  -6.349   0.531  -0.118
  461    HG   LEU  59           HG       LEU  59  -4.673   1.866  -1.143
  462   1HD1  LEU  59          1HD2      LEU  59  -2.923   0.507   0.725
  463   2HD1  LEU  59          2HD2      LEU  59  -2.711   2.048  -0.106
  464   3HD1  LEU  59          3HD2      LEU  59  -2.257   0.544  -0.907
  465   1HD2  LEU  59          1HD1      LEU  59  -4.775   0.474  -2.865
  466   2HD2  LEU  59          2HD1      LEU  59  -4.988  -0.907  -1.791
  467   3HD2  LEU  59          3HD1      LEU  59  -3.366  -0.367  -2.224
  468    H    GLN  60           H        GLN  60  -7.321   0.118   2.651
  469    HA   GLN  60           HA       GLN  60  -9.173   2.170   2.002
  470   1HB   GLN  60          1HB       GLN  60 -10.694   0.988   3.548
  471   2HB   GLN  60          2HB       GLN  60  -9.925  -0.106   2.405
  472   1HG   GLN  60          2HG       GLN  60  -8.316  -0.762   4.133
  473   2HG   GLN  60          1HG       GLN  60  -9.127   0.307   5.278
  474   1HE2  GLN  60          1HE2      GLN  60 -10.034  -2.213   2.944
  475   2HE2  GLN  60          2HE2      GLN  60 -11.102  -3.054   4.010
  476    H    ASP  61           H        ASP  61  -6.951   1.670   4.608
  477    HA   ASP  61           HA       ASP  61  -8.141   3.369   6.529
  478   1HB   ASP  61          2HB       ASP  61  -6.006   1.666   6.529
  479   2HB   ASP  61          1HB       ASP  61  -5.196   3.230   6.514
  480    H    LEU  62           H        LEU  62  -6.200   3.937   3.711
  481    HA   LEU  62           HA       LEU  62  -5.241   6.514   4.305
  482   1HB   LEU  62          1HB       LEU  62  -5.886   5.175   1.680
  483   2HB   LEU  62          2HB       LEU  62  -5.130   6.753   1.792
  484    HG   LEU  62           HG       LEU  62  -3.875   4.419   3.181
  485   1HD1  LEU  62          1HD2      LEU  62  -4.485   4.069   0.621
  486   2HD1  LEU  62          2HD2      LEU  62  -2.956   3.520   1.308
  487   3HD1  LEU  62          3HD2      LEU  62  -3.026   5.036   0.410
  488   1HD2  LEU  62          1HD1      LEU  62  -2.613   6.755   1.775
  489   2HD2  LEU  62          2HD1      LEU  62  -1.889   5.671   2.963
  490   3HD2  LEU  62          3HD1      LEU  62  -3.133   6.819   3.458
  491    H    LYS  63           H        LYS  63  -8.151   5.454   2.566
  492    HA   LYS  63           HA       LYS  63  -9.229   7.835   1.791
  493   1HB   LYS  63          2HB       LYS  63 -10.282   5.726   1.246
  494   2HB   LYS  63          1HB       LYS  63 -10.668   5.436   2.937
  495   1HG   LYS  63          2HG       LYS  63 -12.619   6.163   1.657
  496   2HG   LYS  63          1HG       LYS  63 -12.209   7.305   2.939
  497   1HD   LYS  63          2HD       LYS  63 -12.720   8.585   1.001
  498   2HD   LYS  63          1HD       LYS  63 -10.969   8.643   1.213
  499   1HE   LYS  63          2HE       LYS  63 -11.797   8.260  -1.146
  500   2HE   LYS  63          1HE       LYS  63 -10.604   7.111  -0.541
  501   1HZ   LYS  63          1HZ       LYS  63 -12.147   5.443  -0.396
  502   2HZ   LYS  63          2HZ       LYS  63 -12.723   6.273  -1.753
  503   3HZ   LYS  63          3HZ       LYS  63 -13.462   6.497  -0.247
  504    H    GLN  64           H        GLN  64  -9.714   6.308   4.977
  505    HA   GLN  64           HA       GLN  64 -10.280   8.982   6.060
  506   1HB   GLN  64          2HB       GLN  64 -11.801   6.432   6.623
  507   2HB   GLN  64          1HB       GLN  64 -11.940   7.883   7.606
  508   1HG   GLN  64          2HG       GLN  64 -12.335   8.313   4.735
  509   2HG   GLN  64          1HG       GLN  64 -13.534   7.272   5.501
  510   1HE2  GLN  64          2HE2      GLN  64 -14.925   8.119   7.017
  511   2HE2  GLN  64          1HE2      GLN  64 -15.102   9.817   7.278
  512    H    GLY  65           H        GLY  65 -10.258   5.804   7.630
  513   1HA   GLY  65          2HA       GLY  65  -7.836   5.382   8.588
  514   2HA   GLY  65          1HA       GLY  65  -8.258   6.818   9.508
  515    H    HIS  66           H        HIS  66  -8.853   3.426   9.038
  516    HA   HIS  66           HA       HIS  66 -10.557   3.409  11.440
  517   1HB   HIS  66          1HB       HIS  66 -10.345   1.170   9.429
  518   2HB   HIS  66          2HB       HIS  66 -11.590   1.421  10.647
  519    HD1  HIS  66           HD1      HIS  66 -13.689   1.921   9.446
  520    HD2  HIS  66           HD2      HIS  66 -10.432   3.855   7.736
  521    HE1  HIS  66           HE1      HIS  66 -14.641   3.334   7.596
  522    HE2  HIS  66           HE2      HIS  66 -12.652   4.496   6.575
  523    H    ASP  67           H        ASP  67  -9.249   3.081  13.141
  524    HA   ASP  67           HA       ASP  67  -8.197   0.658  13.806
  525   1HB   ASP  67          2HB       ASP  67  -5.678   1.253  13.602
  526   2HB   ASP  67          1HB       ASP  67  -6.518   0.634  12.181
  527    H    TYR  68           HN       TYR  68  -7.340   0.642  15.846
  528    HA   TYR  68           HA       TYR  68  -8.074   2.421  17.720
  529   1HB   TYR  68          2HB       TYR  68  -5.753   0.540  17.576
  530   2HB   TYR  68          1HB       TYR  68  -5.887   1.618  18.964
  531    HD1  TYR  68           HD1      TYR  68  -8.605   1.688  19.712
  532    HD2  TYR  68           HD2      TYR  68  -6.429  -1.594  18.104
  533    HE1  TYR  68           HE1      TYR  68 -10.181   0.129  20.777
  534    HE2  TYR  68           HE2      TYR  68  -7.998  -3.163  19.164
  535    HH   TYR  68           HH       TYR  68 -10.920  -2.425  20.196
  Start of MODEL   14
    1   1H    TYR   1          1H        TYR   1  14.249  19.011  -5.080
    2   2H    TYR   1          2H        TYR   1  14.389  20.246  -6.264
    3   3H    TYR   1          3H        TYR   1  13.205  19.017  -6.442
    4    HA   TYR   1           HA       TYR   1  13.222  20.754  -4.098
    5   1HB   TYR   1          2HB       TYR   1  12.988  21.635  -6.777
    6   2HB   TYR   1          1HB       TYR   1  11.359  21.631  -6.106
    7    HD1  TYR   1           HD1      TYR   1  14.546  23.305  -6.177
    8    HD2  TYR   1           HD2      TYR   1  10.906  22.940  -4.005
    9    HE1  TYR   1           HE1      TYR   1  15.011  25.440  -5.050
   10    HE2  TYR   1           HE2      TYR   1  11.360  25.074  -2.873
   11    HH   TYR   1           HH       TYR   1  14.281  26.508  -2.750
   12    H    HIS   2           H        HIS   2  11.035  19.557  -6.628
   13    HA   HIS   2           HA       HIS   2   9.066  18.843  -4.629
   14   1HB   HIS   2          1HB       HIS   2   9.093  19.328  -7.505
   15   2HB   HIS   2          2HB       HIS   2   8.134  17.916  -7.073
   16    HD1  HIS   2           HD1      HIS   2   7.127  20.824  -8.093
   17    HD2  HIS   2           HD2      HIS   2   6.910  19.265  -4.247
   18    HE1  HIS   2           HE1      HIS   2   5.258  22.073  -6.966
   19    HE2  HIS   2           HE2      HIS   2   5.144  21.114  -4.639
   20    H    ALA   3           H        ALA   3   8.032  16.715  -4.631
   21    HA   ALA   3           HA       ALA   3   9.210  14.447  -5.825
   22   1HB   ALA   3          1HB       ALA   3   9.844  14.615  -2.895
   23   2HB   ALA   3          2HB       ALA   3  10.984  15.149  -4.130
   24   3HB   ALA   3          3HB       ALA   3  10.448  13.469  -4.091
   25    H    ASP   4           H        ASP   4   8.385  12.381  -4.756
   26    HA   ASP   4           HA       ASP   4   5.892  12.818  -3.280
   27   1HB   ASP   4          1HB       ASP   4   4.802  11.098  -4.816
   28   2HB   ASP   4          2HB       ASP   4   5.070  12.699  -5.499
   29    HA   PRO   5           HA       PRO   5   8.415   9.143  -1.829
   30   1HB   PRO   5          1HB       PRO   5   9.040  10.032   0.632
   31   2HB   PRO   5          2HB       PRO   5  10.006  10.451  -0.787
   32   1HG   PRO   5          2HG       PRO   5   7.916  12.064   0.628
   33   2HG   PRO   5          1HG       PRO   5   9.495  12.580   0.005
   34   1HD   PRO   5          2HD       PRO   5   7.144  13.003  -1.318
   35   2HD   PRO   5          1HD       PRO   5   8.707  12.822  -2.138
   36    H    SER   6           H        SER   6   5.820  11.062  -0.535
   37    HA   SER   6           HA       SER   6   5.015   9.301   1.534
   38   1HB   SER   6          2HB       SER   6   3.288  11.264   0.008
   39   2HB   SER   6          1HB       SER   6   2.974  10.604   1.612
   40    HG   SER   6           HG       SER   6   3.966  12.784   1.456
   41    H    LEU   7           H        LEU   7   5.303   7.306   0.208
   42    HA   LEU   7           HA       LEU   7   2.804   6.201  -0.455
   43   1HB   LEU   7          1HB       LEU   7   2.885   7.447  -2.482
   44   2HB   LEU   7          2HB       LEU   7   4.560   7.016  -2.761
   45    HG   LEU   7           HG       LEU   7   2.765   5.866  -4.187
   46   1HD1  LEU   7          1HD1      LEU   7   4.259   4.241  -4.618
   47   2HD1  LEU   7          2HD1      LEU   7   4.358   3.736  -2.931
   48   3HD1  LEU   7          3HD1      LEU   7   5.266   5.143  -3.485
   49   1HD2  LEU   7          1HD2      LEU   7   1.892   3.768  -3.118
   50   2HD2  LEU   7          2HD2      LEU   7   1.160   5.268  -2.549
   51   3HD2  LEU   7          3HD2      LEU   7   2.372   4.449  -1.563
   52    H    VAL   8           H        VAL   8   6.188   5.895  -1.557
   53    HA   VAL   8           HA       VAL   8   6.202   3.071  -1.507
   54    HB   VAL   8           HB       VAL   8   8.625   3.221  -1.698
   55   1HG1  VAL   8          1HG1      VAL   8   8.722   4.246  -3.796
   56   2HG1  VAL   8          2HG1      VAL   8   7.517   5.458  -3.362
   57   3HG1  VAL   8          3HG1      VAL   8   7.030   3.784  -3.623
   58   1HG2  VAL   8          1HG2      VAL   8   9.357   5.814  -1.869
   59   2HG2  VAL   8          2HG2      VAL   8   9.543   4.832  -0.417
   60   3HG2  VAL   8          3HG2      VAL   8   8.153   5.905  -0.584
   61    H    SER   9           H        SER   9   6.849   5.505   0.916
   62    HA   SER   9           HA       SER   9   8.103   3.758   2.788
   63   1HB   SER   9          1HB       SER   9   8.647   5.945   3.252
   64   2HB   SER   9          2HB       SER   9   7.039   6.545   2.848
   65    HG   SER   9           HG       SER   9   6.508   6.355   4.865
   66    H    PHE  10           H        PHE  10   4.830   4.495   1.954
   67    HA   PHE  10           HA       PHE  10   3.753   3.365   4.404
   68   1HB   PHE  10          2HB       PHE  10   2.809   5.186   2.477
   69   2HB   PHE  10          1HB       PHE  10   1.790   3.760   2.321
   70    HD1  PHE  10           HD1      PHE  10   1.359   2.756   4.910
   71    HD2  PHE  10           HD2      PHE  10   1.781   6.816   3.707
   72    HE1  PHE  10           HE1      PHE  10   0.055   3.469   6.871
   73    HE2  PHE  10           HE2      PHE  10   0.480   7.537   5.666
   74    HZ   PHE  10           HZ       PHE  10  -0.386   5.863   7.251
   75    H    LEU  11           H        LEU  11   3.557   2.655   0.916
   76    HA   LEU  11           HA       LEU  11   2.226   0.235   1.032
   77   1HB   LEU  11          2HB       LEU  11   3.027   1.598  -1.005
   78   2HB   LEU  11          1HB       LEU  11   4.529   0.708  -0.837
   79    HG   LEU  11           HG       LEU  11   2.887  -1.378  -0.896
   80   1HD1  LEU  11          1HD2      LEU  11   1.116  -0.848  -2.645
   81   2HD1  LEU  11          2HD2      LEU  11   1.350   0.843  -2.204
   82   3HD1  LEU  11          3HD2      LEU  11   0.801  -0.316  -0.994
   83   1HD2  LEU  11          1HD1      LEU  11   4.513  -1.407  -2.501
   84   2HD2  LEU  11          2HD1      LEU  11   4.130   0.217  -3.076
   85   3HD2  LEU  11          3HD1      LEU  11   3.090  -1.140  -3.509
   86    H    THR  12           H        THR  12   5.727   0.770   1.023
   87    HA   THR  12           HA       THR  12   6.510  -1.885   1.420
   88    HB   THR  12           HB       THR  12   7.936   0.593   2.407
   89    HG1  THR  12           HG1      THR  12   7.684   0.974   0.297
   90   1HG2  THR  12          1HG2      THR  12   8.665  -2.100   2.590
   91   2HG2  THR  12          2HG2      THR  12   9.667  -0.679   2.892
   92   3HG2  THR  12          3HG2      THR  12   9.633  -1.409   1.287
   93    H    GLY  13           H        GLY  13   6.036   0.740   3.777
   94   1HA   GLY  13          2HA       GLY  13   6.657  -0.659   6.101
   95   2HA   GLY  13          1HA       GLY  13   5.526   0.685   6.018
   96    H    LEU  14           H        LEU  14   3.788  -0.745   4.139
   97    HA   LEU  14           HA       LEU  14   1.993  -1.917   5.940
   98   1HB   LEU  14          2HB       LEU  14   1.965  -1.102   3.312
   99   2HB   LEU  14          1HB       LEU  14   1.812  -2.839   3.165
  100    HG   LEU  14           HG       LEU  14  -0.217  -2.849   4.423
  101   1HD1  LEU  14          1HD2      LEU  14  -0.818  -0.158   4.904
  102   2HD1  LEU  14          2HD2      LEU  14   0.829  -0.398   5.489
  103   3HD1  LEU  14          3HD2      LEU  14  -0.479  -1.414   6.095
  104   1HD2  LEU  14          1HD1      LEU  14  -0.625  -0.402   2.789
  105   2HD2  LEU  14          2HD1      LEU  14  -1.591  -1.874   2.880
  106   3HD2  LEU  14          3HD1      LEU  14  -0.070  -1.871   1.986
  107    H    GLY  15           H        GLY  15   4.799  -3.173   4.429
  108   1HA   GLY  15          1HA       GLY  15   5.648  -5.270   5.397
  109   2HA   GLY  15          2HA       GLY  15   4.016  -5.903   5.227
  110    H    CYS  16           H        CYS  16   5.096  -3.892   2.667
  111    HA   CYS  16           HA       CYS  16   5.649  -6.281   1.029
  112   1HB   CYS  16          1HB       CYS  16   3.993  -3.854   0.491
  113   2HB   CYS  16          2HB       CYS  16   4.845  -4.598  -0.858
  114    HG   CYS  16           HG       CYS  16   2.863  -6.294   0.827
  115    HA   PRO  17           HA       PRO  17   9.286  -3.293   0.979
  116   1HB   PRO  17          2HB       PRO  17  11.164  -5.087   1.776
  117   2HB   PRO  17          1HB       PRO  17  10.236  -4.098   2.908
  118   1HG   PRO  17          2HG       PRO  17   9.814  -6.947   2.091
  119   2HG   PRO  17          1HG       PRO  17   9.710  -6.217   3.704
  120   1HD   PRO  17          2HD       PRO  17   7.521  -6.777   2.209
  121   2HD   PRO  17          1HD       PRO  17   7.583  -5.411   3.341
  122    H    ASN  18           H        ASN  18   8.542  -6.431  -0.275
  123    HA   ASN  18           HA       ASN  18  10.278  -5.880  -2.581
  124   1HB   ASN  18          2HB       ASN  18  10.648  -8.343  -2.789
  125   2HB   ASN  18          1HB       ASN  18  11.361  -7.647  -1.336
  126   1HD2  ASN  18          2HD2      ASN  18  10.094 -10.337  -2.268
  127   2HD2  ASN  18          1HD2      ASN  18   9.146 -10.794  -0.899
  128    H    CYS  19           H        CYS  19   7.369  -5.478  -1.957
  129    HA   CYS  19           HA       CYS  19   6.247  -7.156  -4.098
  130   1HB   CYS  19          1HB       CYS  19   5.258  -6.455  -1.456
  131   2HB   CYS  19          2HB       CYS  19   4.102  -6.032  -2.715
  132    HG   CYS  19           HG       CYS  19   3.686  -8.434  -3.188
  133    H    ILE  20           H        ILE  20   6.822  -3.930  -2.991
  134    HA   ILE  20           HA       ILE  20   4.964  -2.451  -4.393
  135    HB   ILE  20           HB       ILE  20   6.565  -1.412  -2.873
  136   1HG1  ILE  20          1HG1      ILE  20   7.067  -0.212  -5.593
  137   2HG1  ILE  20          2HG1      ILE  20   5.461  -0.183  -4.872
  138   1HG2  ILE  20          1HG2      ILE  20   8.848  -1.277  -3.250
  139   2HG2  ILE  20          2HG2      ILE  20   8.682  -1.595  -4.978
  140   3HG2  ILE  20          3HG2      ILE  20   8.460  -2.903  -3.815
  141   1HD1  ILE  20          1HD1      ILE  20   6.392   1.016  -2.932
  142   2HD1  ILE  20          2HD1      ILE  20   6.576   1.897  -4.451
  143   3HD1  ILE  20          3HD1      ILE  20   7.957   1.055  -3.744
  144    H    GLU  21           H        GLU  21   8.079  -3.701  -5.555
  145    HA   GLU  21           HA       GLU  21   8.107  -2.610  -8.093
  146   1HB   GLU  21          2HB       GLU  21   8.987  -5.390  -7.311
  147   2HB   GLU  21          1HB       GLU  21   9.507  -4.514  -8.742
  148   1HG   GLU  21          2HG       GLU  21   9.968  -2.992  -6.325
  149   2HG   GLU  21          1HG       GLU  21  10.760  -4.566  -6.275
  150    H    TYR  22           H        TYR  22   6.528  -5.577  -6.977
  151    HA   TYR  22           HA       TYR  22   5.519  -6.353  -9.510
  152   1HB   TYR  22          1HB       TYR  22   4.203  -7.006  -6.876
  153   2HB   TYR  22          2HB       TYR  22   4.244  -7.974  -8.346
  154    HD1  TYR  22           HD1      TYR  22   4.937  -8.981  -5.593
  155    HD2  TYR  22           HD2      TYR  22   7.361  -7.309  -8.664
  156    HE1  TYR  22           HE1      TYR  22   6.879 -10.215  -4.725
  157    HE2  TYR  22           HE2      TYR  22   9.308  -8.539  -7.805
  158    HH   TYR  22           HH       TYR  22  10.104  -9.661  -5.941
  159    H    PHE  23           H        PHE  23   4.431  -4.208  -6.997
  160    HA   PHE  23           HA       PHE  23   1.815  -3.806  -8.116
  161   1HB   PHE  23          1HB       PHE  23   3.338  -2.864  -5.773
  162   2HB   PHE  23          2HB       PHE  23   2.214  -1.688  -6.439
  163    HD1  PHE  23           HD1      PHE  23  -0.199  -2.593  -6.911
  164    HD2  PHE  23           HD2      PHE  23   2.575  -4.377  -4.223
  165    HE1  PHE  23           HE1      PHE  23  -2.057  -3.693  -5.729
  166    HE2  PHE  23           HE2      PHE  23   0.723  -5.480  -3.037
  167    HZ   PHE  23           HZ       PHE  23  -1.596  -5.138  -3.789
  168    H    THR  24           H        THR  24   4.979  -2.371  -8.416
  169    HA   THR  24           HA       THR  24   4.139   0.096  -9.560
  170    HB   THR  24           HB       THR  24   6.472   0.401 -10.169
  171    HG1  THR  24           HG1      THR  24   7.822  -1.213 -10.383
  172   1HG2  THR  24          1HG2      THR  24   7.039   0.819  -8.084
  173   2HG2  THR  24          2HG2      THR  24   7.192  -0.904  -7.735
  174   3HG2  THR  24          3HG2      THR  24   5.632  -0.102  -7.552
  175    H    SER  25           H        SER  25   4.566  -3.093 -10.818
  176    HA   SER  25           HA       SER  25   5.103  -2.669 -13.485
  177   1HB   SER  25          2HB       SER  25   3.942  -4.784 -13.923
  178   2HB   SER  25          1HB       SER  25   4.906  -4.904 -12.452
  179    HG   SER  25           HG       SER  25   2.736  -5.755 -12.280
  180    H    GLN  26           H        GLN  26   2.229  -1.909 -11.716
  181    HA   GLN  26           HA       GLN  26   0.779  -1.331 -14.204
  182   1HB   GLN  26          2HB       GLN  26  -0.597  -1.001 -11.602
  183   2HB   GLN  26          1HB       GLN  26  -1.187  -1.689 -13.106
  184   1HG   GLN  26          2HG       GLN  26   0.741  -3.100 -11.283
  185   2HG   GLN  26          1HG       GLN  26  -1.010  -3.279 -11.182
  186   1HE2  GLN  26          2HE2      GLN  26   0.761  -5.390 -11.660
  187   2HE2  GLN  26          1HE2      GLN  26   0.464  -6.003 -13.248
  188    H    GLY  27           H        GLY  27   1.475   0.120 -11.030
  189   1HA   GLY  27          1HA       GLY  27   2.409   2.537 -11.647
  190   2HA   GLY  27          2HA       GLY  27   0.704   2.748 -12.021
  191    H    LEU  28           H        LEU  28   2.538   1.186  -9.393
  192    HA   LEU  28           HA       LEU  28   0.701   2.423  -7.477
  193   1HB   LEU  28          1HB       LEU  28   2.007  -0.110  -7.658
  194   2HB   LEU  28          2HB       LEU  28   2.543   0.684  -6.190
  195    HG   LEU  28           HG       LEU  28   0.525  -0.843  -5.987
  196   1HD1  LEU  28          1HD2      LEU  28   0.625   0.359  -4.094
  197   2HD1  LEU  28          2HD2      LEU  28  -0.750   1.224  -4.780
  198   3HD1  LEU  28          3HD2      LEU  28   0.878   1.879  -4.949
  199   1HD2  LEU  28          1HD1      LEU  28  -1.384   1.175  -6.704
  200   2HD2  LEU  28          2HD1      LEU  28  -1.281  -0.504  -7.231
  201   3HD2  LEU  28          3HD1      LEU  28  -0.399   0.750  -8.103
  202    H    GLN  29           H        GLN  29   2.617   4.098  -8.691
  203    HA   GLN  29           HA       GLN  29   4.604   4.543  -6.580
  204   1HB   GLN  29          1HB       GLN  29   5.585   6.184  -8.194
  205   2HB   GLN  29          2HB       GLN  29   5.566   4.525  -8.776
  206   1HG   GLN  29          1HG       GLN  29   4.332   5.063 -10.537
  207   2HG   GLN  29          2HG       GLN  29   3.170   5.943  -9.544
  208   1HE2  GLN  29          2HE2      GLN  29   6.265   6.196 -11.195
  209   2HE2  GLN  29          1HE2      GLN  29   6.214   7.908 -11.420
  210    H    SER  30           H        SER  30   1.693   5.802  -7.955
  211    HA   SER  30           HA       SER  30   1.873   8.178  -6.225
  212   1HB   SER  30          2HB       SER  30  -0.375   8.317  -7.989
  213   2HB   SER  30          1HB       SER  30   1.050   9.357  -7.950
  214    HG   SER  30           HG       SER  30   1.124   8.467  -9.924
  215    H    ILE  31           H        ILE  31   1.020   7.619  -4.304
  216    HA   ILE  31           HA       ILE  31  -0.697   5.614  -3.691
  217    HB   ILE  31           HB       ILE  31   0.472   7.221  -2.099
  218   1HG1  ILE  31          2HG1      ILE  31  -2.005   6.930  -0.731
  219   2HG1  ILE  31          1HG1      ILE  31  -1.839   5.563  -1.832
  220   1HG2  ILE  31          1HG2      ILE  31  -0.473   9.310  -2.821
  221   2HG2  ILE  31          2HG2      ILE  31  -0.977   8.998  -1.159
  222   3HG2  ILE  31          3HG2      ILE  31  -2.105   8.730  -2.488
  223   1HD1  ILE  31          1HD1      ILE  31   0.610   6.116  -0.386
  224   2HD1  ILE  31          2HD1      ILE  31  -0.293   4.611  -0.561
  225   3HD1  ILE  31          3HD1      ILE  31  -0.752   5.775   0.682
  226    H    TYR  32           H        TYR  32  -1.532   8.623  -5.211
  227    HA   TYR  32           HA       TYR  32  -4.287   8.674  -4.725
  228   1HB   TYR  32          1HB       TYR  32  -2.421   9.974  -6.524
  229   2HB   TYR  32          2HB       TYR  32  -3.945   9.626  -7.334
  230    HD1  TYR  32           HD1      TYR  32  -2.676  11.069  -4.129
  231    HD2  TYR  32           HD2      TYR  32  -5.659  11.165  -7.161
  232    HE1  TYR  32           HE1      TYR  32  -3.690  13.037  -3.060
  233    HE2  TYR  32           HE2      TYR  32  -6.682  13.133  -6.101
  234    HH   TYR  32           HH       TYR  32  -5.618  15.089  -4.435
  235    H    HIS  33           H        HIS  33  -2.374   6.561  -6.668
  236    HA   HIS  33           HA       HIS  33  -4.577   5.702  -8.335
  237   1HB   HIS  33          2HB       HIS  33  -1.832   5.619  -8.594
  238   2HB   HIS  33          1HB       HIS  33  -2.235   3.945  -8.222
  239    HD1  HIS  33           HD1      HIS  33  -4.723   3.442  -9.782
  240    HD2  HIS  33           HD2      HIS  33  -1.592   5.726 -11.281
  241    HE1  HIS  33           HE1      HIS  33  -4.978   3.373 -12.283
  242    HE2  HIS  33           HE2      HIS  33  -3.073   4.763 -13.171
  243    H    LEU  34           H        LEU  34  -3.187   4.837  -5.293
  244    HA   LEU  34           HA       LEU  34  -4.714   2.325  -5.263
  245   1HB   LEU  34          1HB       LEU  34  -3.305   2.081  -3.050
  246   2HB   LEU  34          2HB       LEU  34  -2.641   1.676  -4.618
  247    HG   LEU  34           HG       LEU  34  -2.227   4.411  -3.467
  248   1HD1  LEU  34          1HD1      LEU  34  -1.522   2.903  -1.715
  249   2HD1  LEU  34          2HD1      LEU  34  -0.112   3.610  -2.504
  250   3HD1  LEU  34          3HD1      LEU  34  -0.589   1.953  -2.873
  251   1HD2  LEU  34          1HD2      LEU  34  -1.273   4.585  -5.480
  252   2HD2  LEU  34          2HD2      LEU  34  -1.257   2.841  -5.728
  253   3HD2  LEU  34          3HD2      LEU  34   0.028   3.613  -4.797
  254    H    GLN  35           H        GLN  35  -5.564   5.236  -4.725
  255    HA   GLN  35           HA       GLN  35  -6.304   5.307  -1.973
  256   1HB   GLN  35          1HB       GLN  35  -5.990   7.322  -3.431
  257   2HB   GLN  35          2HB       GLN  35  -7.488   6.901  -4.250
  258   1HG   GLN  35          2HG       GLN  35  -8.581   8.083  -2.736
  259   2HG   GLN  35          1HG       GLN  35  -8.093   6.904  -1.520
  260   1HE2  GLN  35          1HE2      GLN  35  -7.735   8.142   0.172
  261   2HE2  GLN  35          2HE2      GLN  35  -6.581   9.417   0.230
  262    H    ASN  36           H        ASN  36  -7.662   3.856  -4.781
  263    HA   ASN  36           HA       ASN  36 -10.068   3.170  -3.230
  264   1HB   ASN  36          1HB       ASN  36  -9.837   4.250  -5.995
  265   2HB   ASN  36          2HB       ASN  36 -11.064   3.019  -5.709
  266   1HD2  ASN  36          2HD2      ASN  36 -10.240   6.277  -5.431
  267   2HD2  ASN  36          1HD2      ASN  36 -11.621   6.805  -4.540
  268    H    LEU  37           H        LEU  37  -7.411   1.810  -3.886
  269    HA   LEU  37           HA       LEU  37  -8.226  -0.451  -5.489
  270   1HB   LEU  37          2HB       LEU  37  -5.759   0.718  -4.643
  271   2HB   LEU  37          1HB       LEU  37  -5.778  -0.964  -4.150
  272    HG   LEU  37           HG       LEU  37  -6.598  -0.390  -6.942
  273   1HD1  LEU  37          1HD2      LEU  37  -4.735   1.108  -6.777
  274   2HD1  LEU  37          2HD2      LEU  37  -4.223  -0.331  -7.659
  275   3HD1  LEU  37          3HD2      LEU  37  -3.759  -0.121  -5.970
  276   1HD2  LEU  37          1HD1      LEU  37  -6.475  -2.660  -5.873
  277   2HD2  LEU  37          2HD1      LEU  37  -4.723  -2.459  -5.827
  278   3HD2  LEU  37          3HD1      LEU  37  -5.567  -2.478  -7.374
  279    H    THR  38           H        THR  38  -9.254  -2.130  -4.713
  280    HA   THR  38           HA       THR  38  -9.269  -2.633  -1.817
  281    HB   THR  38           HB       THR  38 -10.987  -4.316  -3.510
  282    HG1  THR  38           HG1      THR  38 -11.563  -1.544  -3.429
  283   1HG2  THR  38          1HG2      THR  38 -12.749  -3.530  -2.010
  284   2HG2  THR  38          2HG2      THR  38 -11.596  -2.439  -1.245
  285   3HG2  THR  38          3HG2      THR  38 -11.362  -4.184  -1.140
  286    H    ILE  39           H        ILE  39  -9.651  -5.074  -1.361
  287    HA   ILE  39           HA       ILE  39  -7.274  -6.460  -2.015
  288    HB   ILE  39           HB       ILE  39  -8.621  -6.755   0.084
  289   1HG1  ILE  39          1HG1      ILE  39  -8.299  -9.307   0.076
  290   2HG1  ILE  39          2HG1      ILE  39  -7.729  -9.097  -1.579
  291   1HG2  ILE  39          1HG2      ILE  39 -10.763  -7.076  -1.406
  292   2HG2  ILE  39          2HG2      ILE  39 -10.608  -7.846   0.172
  293   3HG2  ILE  39          3HG2      ILE  39 -10.296  -8.773  -1.295
  294   1HD1  ILE  39          1HD1      ILE  39  -5.819  -8.041  -0.931
  295   2HD1  ILE  39          2HD1      ILE  39  -6.069  -9.112   0.448
  296   3HD1  ILE  39          3HD1      ILE  39  -6.536  -7.413   0.553
  297    H    GLU  40           H        GLU  40 -10.506  -6.382  -3.269
  298    HA   GLU  40           HA       GLU  40 -10.549  -8.679  -4.835
  299   1HB   GLU  40          1HB       GLU  40 -11.764  -5.971  -5.407
  300   2HB   GLU  40          2HB       GLU  40 -12.177  -7.455  -6.255
  301   1HG   GLU  40          1HG       GLU  40 -12.404  -7.623  -3.343
  302   2HG   GLU  40          2HG       GLU  40 -13.496  -6.464  -4.101
  303    H    ASP  41           H        ASP  41  -9.268  -5.464  -5.512
  304    HA   ASP  41           HA       ASP  41  -8.331  -6.244  -8.140
  305   1HB   ASP  41          2HB       ASP  41  -8.824  -3.770  -6.749
  306   2HB   ASP  41          1HB       ASP  41  -7.188  -3.771  -7.399
  307    H    LEU  42           H        LEU  42  -7.066  -5.783  -4.914
  308    HA   LEU  42           HA       LEU  42  -4.344  -5.627  -5.428
  309   1HB   LEU  42          2HB       LEU  42  -5.778  -6.975  -3.138
  310   2HB   LEU  42          1HB       LEU  42  -4.055  -6.684  -3.173
  311    HG   LEU  42           HG       LEU  42  -6.207  -4.909  -2.384
  312   1HD1  LEU  42          1HD2      LEU  42  -4.411  -5.399  -0.923
  313   2HD1  LEU  42          2HD2      LEU  42  -4.279  -3.700  -1.373
  314   3HD1  LEU  42          3HD2      LEU  42  -3.219  -4.895  -2.121
  315   1HD2  LEU  42          1HD1      LEU  42  -4.137  -3.602  -4.120
  316   2HD2  LEU  42          2HD1      LEU  42  -5.571  -2.884  -3.386
  317   3HD2  LEU  42          3HD1      LEU  42  -5.739  -4.027  -4.716
  318    H    GLY  43           H        GLY  43  -6.308  -8.540  -4.827
  319   1HA   GLY  43          1HA       GLY  43  -4.167 -10.343  -5.394
  320   2HA   GLY  43          2HA       GLY  43  -5.867 -10.762  -5.250
  321    H    ALA  44           H        ALA  44  -6.257  -8.518  -7.385
  322    HA   ALA  44           HA       ALA  44  -6.498 -10.237  -9.609
  323   1HB   ALA  44          1HB       ALA  44  -7.098  -8.277 -10.870
  324   2HB   ALA  44          2HB       ALA  44  -6.403  -7.224  -9.638
  325   3HB   ALA  44          3HB       ALA  44  -7.839  -8.178  -9.273
  326    H    LEU  45           H        LEU  45  -4.114  -7.755  -8.763
  327    HA   LEU  45           HA       LEU  45  -2.521  -7.638 -10.945
  328   1HB   LEU  45          2HB       LEU  45  -1.959  -7.619  -8.017
  329   2HB   LEU  45          1HB       LEU  45  -0.616  -7.564  -9.140
  330    HG   LEU  45           HG       LEU  45  -1.506  -5.516 -10.126
  331   1HD1  LEU  45          1HD2      LEU  45  -3.465  -4.419  -9.272
  332   2HD1  LEU  45          2HD2      LEU  45  -3.690  -5.685  -8.065
  333   3HD1  LEU  45          3HD2      LEU  45  -3.891  -6.054  -9.777
  334   1HD2  LEU  45          1HD1      LEU  45  -1.247  -5.528  -7.135
  335   2HD2  LEU  45          2HD1      LEU  45  -1.360  -4.047  -8.085
  336   3HD2  LEU  45          3HD1      LEU  45  -0.006  -5.149  -8.330
  337    H    LYS  46           H        LYS  46  -2.855 -10.295  -8.771
  338    HA   LYS  46           HA       LYS  46  -2.381 -12.517  -9.134
  339   1HB   LYS  46          2HB       LYS  46  -2.071 -12.134 -11.566
  340   2HB   LYS  46          1HB       LYS  46  -0.404 -11.664 -11.248
  341   1HG   LYS  46          2HG       LYS  46   0.284 -13.752 -10.979
  342   2HG   LYS  46          1HG       LYS  46  -1.159 -14.210 -10.073
  343   1HD   LYS  46          1HD       LYS  46  -2.341 -14.060 -12.385
  344   2HD   LYS  46          2HD       LYS  46  -0.706 -14.195 -13.035
  345   1HE   LYS  46          2HE       LYS  46  -0.455 -16.349 -12.338
  346   2HE   LYS  46          1HE       LYS  46  -1.515 -16.135 -10.945
  347   1HZ   LYS  46          1HZ       LYS  46  -2.969 -17.278 -12.174
  348   2HZ   LYS  46          2HZ       LYS  46  -2.150 -16.990 -13.625
  349   3HZ   LYS  46          3HZ       LYS  46  -3.212 -15.827 -13.008
  350    H    ILE  47           H        ILE  47  -0.939 -10.330  -7.606
  351    HA   ILE  47           HA       ILE  47   1.718 -11.351  -7.216
  352    HB   ILE  47           HB       ILE  47   0.324  -9.531  -5.279
  353   1HG1  ILE  47          1HG1      ILE  47   1.505  -8.776  -7.962
  354   2HG1  ILE  47          2HG1      ILE  47  -0.163  -8.555  -7.442
  355   1HG2  ILE  47          1HG2      ILE  47   3.170  -9.854  -6.201
  356   2HG2  ILE  47          2HG2      ILE  47   2.502 -10.265  -4.622
  357   3HG2  ILE  47          3HG2      ILE  47   2.616  -8.576  -5.119
  358   1HD1  ILE  47          1HD1      ILE  47   0.380  -6.524  -6.778
  359   2HD1  ILE  47          2HD1      ILE  47   2.085  -6.821  -7.117
  360   3HD1  ILE  47          3HD1      ILE  47   1.411  -7.240  -5.542
  361    HA   PRO  48           HA       PRO  48   0.996 -14.768  -4.495
  362   1HB   PRO  48          2HB       PRO  48   3.070 -13.347  -2.863
  363   2HB   PRO  48          1HB       PRO  48   2.945 -15.064  -3.265
  364   1HG   PRO  48          2HG       PRO  48   4.636 -13.467  -4.577
  365   2HG   PRO  48          1HG       PRO  48   3.752 -14.753  -5.416
  366   1HD   PRO  48          2HD       PRO  48   3.369 -11.822  -5.530
  367   2HD   PRO  48          1HD       PRO  48   2.961 -13.061  -6.730
  368    H    GLU  49           H        GLU  49  -0.231 -15.179  -2.700
  369    HA   GLU  49           HA       GLU  49  -1.511 -12.906  -1.451
  370   1HB   GLU  49          1HB       GLU  49  -2.655 -15.081  -2.216
  371   2HB   GLU  49          2HB       GLU  49  -1.988 -15.797  -0.755
  372   1HG   GLU  49          2HG       GLU  49  -3.132 -13.650   0.330
  373   2HG   GLU  49          1HG       GLU  49  -4.171 -13.833  -1.083
  374    H    GLN  50           H        GLN  50   0.986 -12.658  -0.679
  375    HA   GLN  50           HA       GLN  50   1.482 -14.062   1.805
  376   1HB   GLN  50          1HB       GLN  50   3.009 -11.817   0.468
  377   2HB   GLN  50          2HB       GLN  50   3.551 -12.716   1.879
  378   1HG   GLN  50          2HG       GLN  50   3.870 -14.681   0.645
  379   2HG   GLN  50          1HG       GLN  50   2.923 -14.081  -0.715
  380   1HE2  GLN  50          2HE2      GLN  50   5.744 -15.081  -0.360
  381   2HE2  GLN  50          1HE2      GLN  50   6.713 -13.878  -1.127
  382    H    TYR  51           H        TYR  51   0.734 -10.759   0.761
  383    HA   TYR  51           HA       TYR  51  -0.318 -10.221   3.438
  384   1HB   TYR  51          1HB       TYR  51   1.294  -8.096   2.064
  385   2HB   TYR  51          2HB       TYR  51   0.888  -8.251   3.769
  386    HD1  TYR  51           HD1      TYR  51   3.515  -8.395   1.565
  387    HD2  TYR  51           HD2      TYR  51   1.830 -10.622   4.775
  388    HE1  TYR  51           HE1      TYR  51   5.702  -9.438   1.982
  389    HE2  TYR  51           HE2      TYR  51   4.013 -11.672   5.200
  390    HH   TYR  51           HH       TYR  51   6.083 -12.058   4.272
  391    H    ARG  52           H        ARG  52  -1.512 -10.775   0.810
  392    HA   ARG  52           HA       ARG  52  -2.440  -8.637  -0.609
  393   1HB   ARG  52          2HB       ARG  52  -3.030 -11.299  -0.521
  394   2HB   ARG  52          1HB       ARG  52  -4.534 -10.599   0.059
  395   1HG   ARG  52          2HG       ARG  52  -4.712  -9.254  -1.957
  396   2HG   ARG  52          1HG       ARG  52  -3.170  -9.891  -2.533
  397   1HD   ARG  52          2HD       ARG  52  -4.908 -12.052  -1.817
  398   2HD   ARG  52          1HD       ARG  52  -5.742 -10.963  -2.925
  399    HE   ARG  52           HE       ARG  52  -3.182 -11.436  -3.935
  400   1HH1  ARG  52          2HH1      ARG  52  -6.144 -13.162  -3.327
  401   2HH1  ARG  52          1HH1      ARG  52  -5.898 -14.298  -4.611
  402   1HH2  ARG  52          2HH2      ARG  52  -2.848 -12.928  -5.629
  403   2HH2  ARG  52          1HH2      ARG  52  -4.025 -14.165  -5.920
  404    H    MET  53           H        MET  53  -4.219 -10.066   2.139
  405    HA   MET  53           HA       MET  53  -6.149  -8.082   2.368
  406   1HB   MET  53          2HB       MET  53  -5.149 -10.277   4.021
  407   2HB   MET  53          1HB       MET  53  -5.771  -8.934   4.970
  408   1HG   MET  53          2HG       MET  53  -7.570  -9.514   2.821
  409   2HG   MET  53          1HG       MET  53  -7.216 -10.987   3.724
  410   1HE   MET  53          1HE       MET  53  -9.881  -9.712   3.254
  411   2HE   MET  53          2HE       MET  53  -9.794  -8.018   3.738
  412   3HE   MET  53          3HE       MET  53 -10.708  -9.167   4.713
  413    H    THR  54           H        THR  54  -3.015  -8.348   4.022
  414    HA   THR  54           HA       THR  54  -3.206  -6.111   5.658
  415    HB   THR  54           HB       THR  54  -0.790  -7.322   4.304
  416    HG1  THR  54           HG1      THR  54  -2.133  -8.504   5.931
  417   1HG2  THR  54          1HG2      THR  54   0.613  -6.231   5.884
  418   2HG2  THR  54          2HG2      THR  54  -0.774  -5.497   6.688
  419   3HG2  THR  54          3HG2      THR  54  -0.338  -5.001   5.052
  420    H    ILE  55           H        ILE  55  -2.261  -6.356   2.265
  421    HA   ILE  55           HA       ILE  55  -1.374  -3.700   1.971
  422    HB   ILE  55           HB       ILE  55  -2.554  -5.501  -0.142
  423   1HG1  ILE  55          2HG1      ILE  55   0.368  -4.998   0.091
  424   2HG1  ILE  55          1HG1      ILE  55  -0.353  -6.057   1.299
  425   1HG2  ILE  55          1HG2      ILE  55  -2.529  -3.123  -0.766
  426   2HG2  ILE  55          2HG2      ILE  55  -1.402  -4.074  -1.734
  427   3HG2  ILE  55          3HG2      ILE  55  -0.801  -3.063  -0.420
  428   1HD1  ILE  55          1HD1      ILE  55   0.486  -6.713  -1.290
  429   2HD1  ILE  55          2HD1      ILE  55  -1.275  -6.805  -1.301
  430   3HD1  ILE  55          3HD1      ILE  55  -0.351  -7.743  -0.127
  431    H    TRP  56           H        TRP  56  -4.528  -5.153   1.038
  432    HA   TRP  56           HA       TRP  56  -5.749  -2.775   0.301
  433   1HB   TRP  56          1HB       TRP  56  -6.813  -4.870  -0.227
  434   2HB   TRP  56          2HB       TRP  56  -7.003  -5.252   1.481
  435    HD1  TRP  56           HD1      TRP  56  -9.656  -5.467   1.120
  436    HE1  TRP  56           HE1      TRP  56 -11.503  -3.685   0.970
  437    HE3  TRP  56           HE3      TRP  56  -6.794  -1.294   0.237
  438    HZ2  TRP  56           HZ2      TRP  56 -11.748  -0.948   0.556
  439    HZ3  TRP  56           HZ3      TRP  56  -7.935   0.864  -0.022
  440    HH2  TRP  56           HH2      TRP  56 -10.363   1.036   0.133
  441    H    ARG  57           H        ARG  57  -6.183  -4.483   3.419
  442    HA   ARG  57           HA       ARG  57  -7.640  -2.599   4.749
  443   1HB   ARG  57          2HB       ARG  57  -6.729  -3.489   6.845
  444   2HB   ARG  57          1HB       ARG  57  -7.125  -4.775   5.713
  445   1HG   ARG  57          1HG       ARG  57  -5.106  -5.526   6.387
  446   2HG   ARG  57          2HG       ARG  57  -4.570  -4.477   5.076
  447   1HD   ARG  57          2HD       ARG  57  -3.177  -3.934   6.884
  448   2HD   ARG  57          1HD       ARG  57  -4.377  -2.645   6.837
  449    HE   ARG  57           HE       ARG  57  -5.219  -3.374   8.850
  450   1HH1  ARG  57          1HH2      ARG  57  -2.962  -5.720   7.600
  451   2HH1  ARG  57          2HH2      ARG  57  -2.901  -6.632   9.070
  452   1HH2  ARG  57          1HH1      ARG  57  -5.143  -4.572  10.786
  453   2HH2  ARG  57          2HH1      ARG  57  -4.140  -5.981  10.880
  454    H    GLY  58           H        GLY  58  -4.201  -2.502   4.069
  455   1HA   GLY  58          2HA       GLY  58  -3.699  -0.235   5.783
  456   2HA   GLY  58          1HA       GLY  58  -2.590  -0.916   4.601
  457    H    LEU  59           H        LEU  59  -4.661  -0.770   2.500
  458    HA   LEU  59           HA       LEU  59  -4.114   1.907   1.597
  459   1HB   LEU  59          1HB       LEU  59  -4.860  -0.605   0.446
  460   2HB   LEU  59          2HB       LEU  59  -6.017   0.605  -0.070
  461    HG   LEU  59           HG       LEU  59  -4.285   1.942  -1.057
  462   1HD1  LEU  59          1HD2      LEU  59  -2.554   0.281   0.618
  463   2HD1  LEU  59          2HD2      LEU  59  -2.322   1.925   0.021
  464   3HD1  LEU  59          3HD2      LEU  59  -1.946   0.549  -1.016
  465   1HD2  LEU  59          1HD1      LEU  59  -3.180  -0.298  -2.307
  466   2HD2  LEU  59          2HD1      LEU  59  -4.584   0.633  -2.826
  467   3HD2  LEU  59          3HD1      LEU  59  -4.798  -0.788  -1.804
  468    H    GLN  60           H        GLN  60  -6.968   0.046   2.557
  469    HA   GLN  60           HA       GLN  60  -8.905   1.998   2.009
  470   1HB   GLN  60          1HB       GLN  60 -10.400   0.666   3.284
  471   2HB   GLN  60          2HB       GLN  60  -9.275  -0.458   2.539
  472   1HG   GLN  60          2HG       GLN  60  -8.061  -0.698   4.594
  473   2HG   GLN  60          1HG       GLN  60  -9.049   0.542   5.363
  474   1HE2  GLN  60          1HE2      GLN  60  -9.635  -2.385   3.438
  475   2HE2  GLN  60          2HE2      GLN  60 -10.809  -3.062   4.510
  476    H    ASP  61           H        ASP  61  -6.636   1.609   4.593
  477    HA   ASP  61           HA       ASP  61  -7.822   3.203   6.568
  478   1HB   ASP  61          1HB       ASP  61  -5.503   1.765   6.368
  479   2HB   ASP  61          2HB       ASP  61  -4.891   3.417   6.316
  480    H    LEU  62           H        LEU  62  -6.078   3.990   3.649
  481    HA   LEU  62           HA       LEU  62  -5.610   6.733   4.253
  482   1HB   LEU  62          1HB       LEU  62  -5.747   5.274   1.612
  483   2HB   LEU  62          2HB       LEU  62  -5.221   6.936   1.797
  484    HG   LEU  62           HG       LEU  62  -3.826   4.792   3.343
  485   1HD1  LEU  62          1HD2      LEU  62  -2.224   4.684   1.361
  486   2HD1  LEU  62          2HD2      LEU  62  -3.556   5.334   0.405
  487   3HD1  LEU  62          3HD2      LEU  62  -3.738   3.787   1.231
  488   1HD2  LEU  62          1HD1      LEU  62  -3.541   7.512   3.156
  489   2HD2  LEU  62          2HD1      LEU  62  -2.307   6.914   2.047
  490   3HD2  LEU  62          3HD1      LEU  62  -2.312   6.384   3.730
  491    H    LYS  63           H        LYS  63  -8.038   5.066   2.261
  492    HA   LYS  63           HA       LYS  63  -9.508   7.442   1.686
  493   1HB   LYS  63          1HB       LYS  63  -9.453   4.904   0.651
  494   2HB   LYS  63          2HB       LYS  63 -10.972   4.896   1.535
  495   1HG   LYS  63          2HG       LYS  63 -10.209   6.971  -0.508
  496   2HG   LYS  63          1HG       LYS  63 -11.191   5.543  -0.845
  497   1HD   LYS  63          2HD       LYS  63 -13.003   6.633  -0.173
  498   2HD   LYS  63          1HD       LYS  63 -12.290   6.829   1.429
  499   1HE   LYS  63          2HE       LYS  63 -11.229   8.887   0.756
  500   2HE   LYS  63          1HE       LYS  63 -11.782   8.669  -0.904
  501   1HZ   LYS  63          1HZ       LYS  63 -13.244   9.597   1.430
  502   2HZ   LYS  63          2HZ       LYS  63 -14.097   8.575   0.385
  503   3HZ   LYS  63          3HZ       LYS  63 -13.426  10.014  -0.200
  504    H    GLN  64           H        GLN  64 -10.412   4.580   3.621
  505    HA   GLN  64           HA       GLN  64 -12.627   5.811   4.852
  506   1HB   GLN  64          2HB       GLN  64 -11.199   3.281   5.049
  507   2HB   GLN  64          1HB       GLN  64 -11.772   3.836   6.617
  508   1HG   GLN  64          2HG       GLN  64 -14.026   3.922   5.843
  509   2HG   GLN  64          1HG       GLN  64 -13.523   3.610   4.184
  510   1HE2  GLN  64          2HE2      GLN  64 -15.238   2.195   6.295
  511   2HE2  GLN  64          1HE2      GLN  64 -14.697   0.556   6.218
  512    H    GLY  65           H        GLY  65  -9.930   4.591   6.782
  513   1HA   GLY  65          1HA       GLY  65  -8.601   6.601   7.808
  514   2HA   GLY  65          2HA       GLY  65 -10.178   6.955   8.496
  515    H    HIS  66           H        HIS  66  -8.770   6.732  10.482
  516    HA   HIS  66           HA       HIS  66  -8.694   3.909  11.326
  517   1HB   HIS  66          2HB       HIS  66  -6.897   4.541  12.891
  518   2HB   HIS  66          1HB       HIS  66  -6.448   4.872  11.221
  519    HD1  HIS  66           HD1      HIS  66  -6.589   7.447  10.487
  520    HD2  HIS  66           HD2      HIS  66  -6.772   6.697  14.569
  521    HE1  HIS  66           HE1      HIS  66  -6.103   9.651  11.597
  522    HE2  HIS  66           HE2      HIS  66  -6.219   9.174  14.069
  523    H    ASP  67           H        ASP  67  -8.596   3.931  13.916
  524    HA   ASP  67           HA       ASP  67 -10.104   5.886  15.280
  525   1HB   ASP  67          2HB       ASP  67 -12.095   4.251  15.705
  526   2HB   ASP  67          1HB       ASP  67 -12.082   5.238  14.247
  527    H    TYR  68           HN       TYR  68  -9.572   5.721  17.349
  528    HA   TYR  68           HA       TYR  68  -8.631   4.924  19.266
  529   1HB   TYR  68          1HB       TYR  68 -10.753   3.913  19.598
  530   2HB   TYR  68          2HB       TYR  68 -10.425   2.659  18.410
  531    HD1  TYR  68           HD1      TYR  68 -10.221   0.571  19.348
  532    HD2  TYR  68           HD2      TYR  68  -8.702   3.922  21.485
  533    HE1  TYR  68           HE1      TYR  68  -9.452  -0.928  21.140
  534    HE2  TYR  68           HE2      TYR  68  -7.929   2.432  23.283
  535    HH   TYR  68           HH       TYR  68  -7.294   0.018  23.528
  Start of MODEL   15
    1   1H    TYR   1          1H        TYR   1   1.382  14.700  -7.226
    2   2H    TYR   1          2H        TYR   1   2.982  15.186  -6.845
    3   3H    TYR   1          3H        TYR   1   2.364  15.430  -8.427
    4    HA   TYR   1           HA       TYR   1   2.364  17.470  -7.285
    5   1HB   TYR   1          1HB       TYR   1   0.482  16.828  -8.814
    6   2HB   TYR   1          2HB       TYR   1  -0.438  16.334  -7.397
    7    HD1  TYR   1           HD1      TYR   1   0.439  19.055  -9.537
    8    HD2  TYR   1           HD2      TYR   1  -0.917  18.111  -5.617
    9    HE1  TYR   1           HE1      TYR   1  -0.383  21.358  -9.274
   10    HE2  TYR   1           HE2      TYR   1  -1.743  20.412  -5.342
   11    HH   TYR   1           HH       TYR   1  -2.527  22.301  -7.026
   12    H    HIS   2           H        HIS   2   0.415  15.062  -5.559
   13    HA   HIS   2           HA       HIS   2   0.565  16.713  -3.138
   14   1HB   HIS   2          1HB       HIS   2  -1.146  14.275  -3.675
   15   2HB   HIS   2          2HB       HIS   2  -1.245  15.328  -2.268
   16    HD1  HIS   2           HD1      HIS   2  -2.603  14.857  -5.604
   17    HD2  HIS   2           HD2      HIS   2  -2.151  18.033  -2.962
   18    HE1  HIS   2           HE1      HIS   2  -4.172  16.642  -6.425
   19    HE2  HIS   2           HE2      HIS   2  -3.883  18.557  -4.811
   20    H    ALA   3           H        ALA   3   2.894  16.032  -3.079
   21    HA   ALA   3           HA       ALA   3   4.562  14.880  -2.042
   22   1HB   ALA   3          1HB       ALA   3   3.364  14.919  -0.028
   23   2HB   ALA   3          2HB       ALA   3   3.833  13.232  -0.240
   24   3HB   ALA   3          3HB       ALA   3   2.185  13.741  -0.606
   25    H    ASP   4           H        ASP   4   5.721  13.575  -3.283
   26    HA   ASP   4           HA       ASP   4   4.485  11.305  -4.607
   27   1HB   ASP   4          1HB       ASP   4   6.534  13.071  -5.290
   28   2HB   ASP   4          2HB       ASP   4   7.358  11.547  -4.976
   29    HA   PRO   5           HA       PRO   5   8.118   9.180  -2.027
   30   1HB   PRO   5          2HB       PRO   5   8.139  11.135   0.216
   31   2HB   PRO   5          1HB       PRO   5   9.478  10.236  -0.507
   32   1HG   PRO   5          1HG       PRO   5   9.152  12.833  -1.007
   33   2HG   PRO   5          2HG       PRO   5   9.689  11.718  -2.277
   34   1HD   PRO   5          1HD       PRO   5   7.002  12.949  -1.842
   35   2HD   PRO   5          2HD       PRO   5   7.851  12.599  -3.361
   36    H    SER   6           H        SER   6   5.315  10.863  -0.849
   37    HA   SER   6           HA       SER   6   4.843   9.181   1.413
   38   1HB   SER   6          2HB       SER   6   3.872  11.360   1.475
   39   2HB   SER   6          1HB       SER   6   3.103  11.136  -0.098
   40    HG   SER   6           HG       SER   6   1.541  10.800   1.427
   41    H    LEU   7           H        LEU   7   5.329   7.271  -0.186
   42    HA   LEU   7           HA       LEU   7   2.840   5.901  -0.539
   43   1HB   LEU   7          1HB       LEU   7   2.870   7.151  -2.626
   44   2HB   LEU   7          2HB       LEU   7   4.491   6.582  -2.974
   45    HG   LEU   7           HG       LEU   7   2.542   5.466  -4.207
   46   1HD1  LEU   7          1HD1      LEU   7   3.811   3.601  -4.521
   47   2HD1  LEU   7          2HD1      LEU   7   4.138   3.396  -2.800
   48   3HD1  LEU   7          3HD1      LEU   7   5.000   4.628  -3.719
   49   1HD2  LEU   7          1HD2      LEU   7   2.251   3.612  -1.940
   50   2HD2  LEU   7          2HD2      LEU   7   1.072   4.139  -3.139
   51   3HD2  LEU   7          3HD2      LEU   7   1.454   5.174  -1.765
   52    H    VAL   8           H        VAL   8   5.984   5.563  -2.177
   53    HA   VAL   8           HA       VAL   8   6.258   2.842  -1.884
   54    HB   VAL   8           HB       VAL   8   8.776   3.289  -1.937
   55   1HG1  VAL   8          1HG2      VAL   8   8.258   2.882  -4.068
   56   2HG1  VAL   8          2HG2      VAL   8   8.219   4.631  -4.288
   57   3HG1  VAL   8          3HG2      VAL   8   6.729   3.753  -3.942
   58   1HG2  VAL   8          1HG1      VAL   8   8.779   5.891  -2.895
   59   2HG2  VAL   8          2HG1      VAL   8   9.421   5.336  -1.348
   60   3HG2  VAL   8          3HG1      VAL   8   7.776   5.962  -1.447
   61    H    SER   9           H        SER   9   7.257   5.385   0.369
   62    HA   SER   9           HA       SER   9   8.509   3.667   2.234
   63   1HB   SER   9          1HB       SER   9   7.356   6.064   3.425
   64   2HB   SER   9          2HB       SER   9   9.048   5.597   3.257
   65    HG   SER   9           HG       SER   9   9.183   6.667   1.408
   66    H    PHE  10           H        PHE  10   5.195   4.578   1.695
   67    HA   PHE  10           HA       PHE  10   4.287   3.640   4.268
   68   1HB   PHE  10          1HB       PHE  10   3.244   5.436   2.578
   69   2HB   PHE  10          2HB       PHE  10   2.377   4.012   2.014
   70    HD1  PHE  10           HD1      PHE  10   2.267   2.657   4.774
   71    HD2  PHE  10           HD2      PHE  10   1.338   6.585   3.426
   72    HE1  PHE  10           HE1      PHE  10   0.654   2.902   6.615
   73    HE2  PHE  10           HE2      PHE  10  -0.277   6.838   5.265
   74    HZ   PHE  10           HZ       PHE  10  -0.621   4.996   6.863
   75    H    LEU  11           H        LEU  11   3.756   2.580   0.901
   76    HA   LEU  11           HA       LEU  11   2.398   0.243   1.339
   77   1HB   LEU  11          2HB       LEU  11   3.294   1.388  -0.853
   78   2HB   LEU  11          1HB       LEU  11   4.619   0.257  -0.656
   79    HG   LEU  11           HG       LEU  11   2.808  -1.567  -0.556
   80   1HD1  LEU  11          1HD2      LEU  11   0.753  -0.643  -0.364
   81   2HD1  LEU  11          2HD2      LEU  11   0.856  -0.630  -2.126
   82   3HD1  LEU  11          3HD2      LEU  11   1.216   0.834  -1.209
   83   1HD2  LEU  11          1HD1      LEU  11   2.546  -1.420  -3.118
   84   2HD2  LEU  11          2HD1      LEU  11   4.164  -1.587  -2.434
   85   3HD2  LEU  11          3HD1      LEU  11   3.597  -0.010  -2.983
   86    H    THR  12           H        THR  12   5.926   0.552   1.085
   87    HA   THR  12           HA       THR  12   6.616  -2.059   1.714
   88    HB   THR  12           HB       THR  12   8.104   0.470   2.465
   89    HG1  THR  12           HG1      THR  12   8.012   0.591   0.336
   90   1HG2  THR  12          1HG2      THR  12   9.822  -1.652   1.704
   91   2HG2  THR  12          2HG2      THR  12   8.765  -2.216   2.998
   92   3HG2  THR  12          3HG2      THR  12   9.751  -0.772   3.231
   93    H    GLY  13           H        GLY  13   6.281   0.727   3.909
   94   1HA   GLY  13          2HA       GLY  13   6.843  -0.567   6.311
   95   2HA   GLY  13          1HA       GLY  13   5.789   0.831   6.153
   96    H    LEU  14           H        LEU  14   3.942  -0.574   4.385
   97    HA   LEU  14           HA       LEU  14   2.092  -1.522   6.233
   98   1HB   LEU  14          2HB       LEU  14   2.122  -0.909   3.561
   99   2HB   LEU  14          1HB       LEU  14   1.912  -2.645   3.523
  100    HG   LEU  14           HG       LEU  14  -0.158  -2.527   4.657
  101   1HD1  LEU  14          1HD2      LEU  14  -0.207  -1.102   6.390
  102   2HD1  LEU  14          2HD2      LEU  14  -0.819   0.054   5.207
  103   3HD1  LEU  14          3HD2      LEU  14   0.897   0.034   5.614
  104   1HD2  LEU  14          1HD1      LEU  14  -1.465  -1.348   3.135
  105   2HD2  LEU  14          2HD1      LEU  14   0.025  -1.663   2.242
  106   3HD2  LEU  14          3HD1      LEU  14  -0.262  -0.072   2.946
  107    H    GLY  15           H        GLY  15   4.810  -3.078   4.824
  108   1HA   GLY  15          1HA       GLY  15   5.534  -5.119   5.999
  109   2HA   GLY  15          2HA       GLY  15   3.866  -5.661   5.894
  110    H    CYS  16           H        CYS  16   5.105  -3.992   3.152
  111    HA   CYS  16           HA       CYS  16   5.723  -6.538   1.815
  112   1HB   CYS  16          2HB       CYS  16   4.527  -5.435  -0.231
  113   2HB   CYS  16          1HB       CYS  16   3.570  -6.245   1.005
  114    HG   CYS  16           HG       CYS  16   3.724  -3.329   1.647
  115    HA   PRO  17           HA       PRO  17   8.864  -3.173   0.956
  116   1HB   PRO  17          2HB       PRO  17  10.822  -5.142   1.873
  117   2HB   PRO  17          1HB       PRO  17  10.554  -3.492   2.435
  118   1HG   PRO  17          2HG       PRO  17   9.945  -5.649   3.942
  119   2HG   PRO  17          1HG       PRO  17   9.018  -4.139   4.020
  120   1HD   PRO  17          2HD       PRO  17   8.366  -6.690   2.588
  121   2HD   PRO  17          1HD       PRO  17   7.305  -5.625   3.532
  122    H    ASN  18           H        ASN  18   8.241  -6.374  -0.033
  123    HA   ASN  18           HA       ASN  18  10.012  -6.002  -2.351
  124   1HB   ASN  18          2HB       ASN  18   9.521  -8.480  -0.715
  125   2HB   ASN  18          1HB       ASN  18  10.063  -8.587  -2.387
  126   1HD2  ASN  18          2HD2      ASN  18  10.886  -7.554   0.834
  127   2HD2  ASN  18          1HD2      ASN  18  12.587  -7.410   0.567
  128    H    CYS  19           H        CYS  19   7.014  -5.616  -1.660
  129    HA   CYS  19           HA       CYS  19   5.960  -7.223  -3.884
  130   1HB   CYS  19          1HB       CYS  19   5.032  -7.106  -1.293
  131   2HB   CYS  19          2HB       CYS  19   3.980  -5.968  -2.128
  132    HG   CYS  19           HG       CYS  19   2.708  -7.971  -2.731
  133    H    ILE  20           H        ILE  20   6.500  -4.045  -2.676
  134    HA   ILE  20           HA       ILE  20   4.618  -2.555  -4.052
  135    HB   ILE  20           HB       ILE  20   6.135  -1.537  -2.435
  136   1HG1  ILE  20          1HG1      ILE  20   6.548  -0.307  -5.173
  137   2HG1  ILE  20          2HG1      ILE  20   5.061  -0.159  -4.243
  138   1HG2  ILE  20          1HG2      ILE  20   8.406  -1.452  -2.630
  139   2HG2  ILE  20          2HG2      ILE  20   8.363  -1.456  -4.395
  140   3HG2  ILE  20          3HG2      ILE  20   8.097  -2.955  -3.504
  141   1HD1  ILE  20          1HD1      ILE  20   6.397   1.827  -4.011
  142   2HD1  ILE  20          2HD1      ILE  20   7.773   0.873  -3.452
  143   3HD1  ILE  20          3HD1      ILE  20   6.314   0.979  -2.465
  144    H    GLU  21           H        GLU  21   7.602  -4.019  -5.214
  145    HA   GLU  21           HA       GLU  21   7.672  -2.678  -7.684
  146   1HB   GLU  21          2HB       GLU  21   9.676  -3.604  -7.494
  147   2HB   GLU  21          1HB       GLU  21   9.124  -4.737  -6.283
  148   1HG   GLU  21          2HG       GLU  21   9.937  -6.127  -7.890
  149   2HG   GLU  21          1HG       GLU  21   8.231  -6.091  -8.307
  150    H    TYR  22           H        TYR  22   6.214  -5.703  -6.612
  151    HA   TYR  22           HA       TYR  22   5.323  -6.567  -9.160
  152   1HB   TYR  22          1HB       TYR  22   4.245  -7.157  -6.391
  153   2HB   TYR  22          2HB       TYR  22   3.738  -7.991  -7.857
  154    HD1  TYR  22           HD1      TYR  22   4.971  -9.810  -8.695
  155    HD2  TYR  22           HD2      TYR  22   6.677  -7.328  -5.691
  156    HE1  TYR  22           HE1      TYR  22   6.826 -11.404  -8.437
  157    HE2  TYR  22           HE2      TYR  22   8.532  -8.909  -5.428
  158    HH   TYR  22           HH       TYR  22   8.488 -11.994  -6.482
  159    H    PHE  23           H        PHE  23   4.171  -4.267  -6.842
  160    HA   PHE  23           HA       PHE  23   1.596  -3.988  -8.156
  161   1HB   PHE  23          1HB       PHE  23   2.786  -3.170  -5.598
  162   2HB   PHE  23          2HB       PHE  23   1.743  -1.950  -6.321
  163    HD1  PHE  23           HD1      PHE  23   1.894  -5.168  -4.676
  164    HD2  PHE  23           HD2      PHE  23  -0.627  -2.451  -6.763
  165    HE1  PHE  23           HE1      PHE  23  -0.085  -6.358  -3.826
  166    HE2  PHE  23           HE2      PHE  23  -2.611  -3.634  -5.918
  167    HZ   PHE  23           HZ       PHE  23  -2.342  -5.592  -4.448
  168    H    THR  24           H        THR  24   4.648  -2.211  -7.846
  169    HA   THR  24           HA       THR  24   3.669   0.163  -9.066
  170    HB   THR  24           HB       THR  24   5.728  -0.076  -7.588
  171    HG1  THR  24           HG1      THR  24   6.648   1.685  -8.551
  172   1HG2  THR  24          1HG2      THR  24   7.309  -0.484 -10.063
  173   2HG2  THR  24          2HG2      THR  24   6.699  -1.893  -9.193
  174   3HG2  THR  24          3HG2      THR  24   7.753  -0.738  -8.374
  175    H    SER  25           H        SER  25   4.529  -2.871 -10.353
  176    HA   SER  25           HA       SER  25   5.518  -2.134 -12.877
  177   1HB   SER  25          2HB       SER  25   5.694  -4.427 -12.139
  178   2HB   SER  25          1HB       SER  25   3.942  -4.568 -12.006
  179    HG   SER  25           HG       SER  25   5.538  -4.867 -14.181
  180    H    GLN  26           H        GLN  26   2.350  -1.987 -11.518
  181    HA   GLN  26           HA       GLN  26   1.128  -1.605 -14.154
  182   1HB   GLN  26          1HB       GLN  26  -0.451  -1.528 -11.618
  183   2HB   GLN  26          2HB       GLN  26  -0.926  -2.095 -13.211
  184   1HG   GLN  26          2HG       GLN  26   1.118  -3.563 -11.590
  185   2HG   GLN  26          1HG       GLN  26  -0.609  -3.815 -11.344
  186   1HE2  GLN  26          2HE2      GLN  26   0.847  -5.928 -12.061
  187   2HE2  GLN  26          1HE2      GLN  26   0.540  -6.368 -13.701
  188    H    GLY  27           H        GLY  27   1.062  -0.053 -10.936
  189   1HA   GLY  27          1HA       GLY  27   1.719   2.507 -11.710
  190   2HA   GLY  27          2HA       GLY  27  -0.018   2.392 -11.947
  191    H    LEU  28           H        LEU  28   1.892   0.844  -9.411
  192    HA   LEU  28           HA       LEU  28   0.235   2.201  -7.422
  193   1HB   LEU  28          1HB       LEU  28   1.106  -0.428  -7.718
  194   2HB   LEU  28          2HB       LEU  28   2.082   0.201  -6.407
  195    HG   LEU  28           HG       LEU  28  -0.001  -0.958  -5.687
  196   1HD1  LEU  28          1HD2      LEU  28  -0.771   1.226  -4.335
  197   2HD1  LEU  28          2HD2      LEU  28   0.793   1.777  -4.935
  198   3HD1  LEU  28          3HD2      LEU  28   0.689   0.314  -3.958
  199   1HD2  LEU  28          1HD1      LEU  28  -1.173   0.902  -7.562
  200   2HD2  LEU  28          2HD1      LEU  28  -1.929   1.005  -5.974
  201   3HD2  LEU  28          3HD1      LEU  28  -1.861  -0.539  -6.819
  202    H    GLN  29           H        GLN  29   2.289   3.728  -8.655
  203    HA   GLN  29           HA       GLN  29   4.334   3.933  -6.561
  204   1HB   GLN  29          2HB       GLN  29   5.572   5.339  -8.106
  205   2HB   GLN  29          1HB       GLN  29   5.122   3.833  -8.894
  206   1HG   GLN  29          2HG       GLN  29   4.190   4.978 -10.535
  207   2HG   GLN  29          1HG       GLN  29   3.051   5.687  -9.390
  208   1HE2  GLN  29          2HE2      GLN  29   3.181   7.500 -10.913
  209   2HE2  GLN  29          1HE2      GLN  29   4.441   8.665 -10.700
  210    H    SER  30           H        SER  30   1.629   5.575  -7.990
  211    HA   SER  30           HA       SER  30   2.026   7.877  -6.204
  212   1HB   SER  30          2HB       SER  30  -0.043   7.727  -8.386
  213   2HB   SER  30          1HB       SER  30   0.657   9.158  -7.630
  214    HG   SER  30           HG       SER  30   1.644   8.956  -9.585
  215    H    ILE  31           H        ILE  31   1.107   7.494  -4.286
  216    HA   ILE  31           HA       ILE  31  -0.693   5.610  -3.596
  217    HB   ILE  31           HB       ILE  31   0.506   7.222  -2.059
  218   1HG1  ILE  31          2HG1      ILE  31  -2.068   7.138  -0.795
  219   2HG1  ILE  31          1HG1      ILE  31  -1.854   5.679  -1.760
  220   1HG2  ILE  31          1HG2      ILE  31  -0.815   9.141  -1.263
  221   2HG2  ILE  31          2HG2      ILE  31  -1.977   8.853  -2.558
  222   3HG2  ILE  31          3HG2      ILE  31  -0.319   9.313  -2.946
  223   1HD1  ILE  31          1HD1      ILE  31  -0.794   6.281   0.787
  224   2HD1  ILE  31          2HD1      ILE  31   0.551   6.146  -0.345
  225   3HD1  ILE  31          3HD1      ILE  31  -0.596   4.817  -0.176
  226    H    TYR  32           H        TYR  32  -1.427   8.605  -5.209
  227    HA   TYR  32           HA       TYR  32  -4.176   8.776  -4.758
  228   1HB   TYR  32          2HB       TYR  32  -2.831  10.530  -5.876
  229   2HB   TYR  32          1HB       TYR  32  -2.672   9.490  -7.287
  230    HD1  TYR  32           HD1      TYR  32  -5.659  10.184  -5.174
  231    HD2  TYR  32           HD2      TYR  32  -3.820  10.585  -8.989
  232    HE1  TYR  32           HE1      TYR  32  -7.752  11.108  -6.079
  233    HE2  TYR  32           HE2      TYR  32  -5.907  11.509  -9.905
  234    HH   TYR  32           HH       TYR  32  -8.647  11.174  -8.944
  235    H    HIS  33           H        HIS  33  -2.346   6.514  -6.593
  236    HA   HIS  33           HA       HIS  33  -4.573   5.658  -8.230
  237   1HB   HIS  33          2HB       HIS  33  -2.111   5.637  -8.929
  238   2HB   HIS  33          1HB       HIS  33  -1.943   4.220  -7.896
  239    HD1  HIS  33           HD1      HIS  33  -2.873   5.221 -11.262
  240    HD2  HIS  33           HD2      HIS  33  -3.667   2.005  -8.752
  241    HE1  HIS  33           HE1      HIS  33  -3.739   3.397 -12.760
  242    HE2  HIS  33           HE2      HIS  33  -4.214   1.459 -11.221
  243    H    LEU  34           H        LEU  34  -3.123   4.775  -5.196
  244    HA   LEU  34           HA       LEU  34  -4.636   2.269  -5.142
  245   1HB   LEU  34          2HB       LEU  34  -3.369   2.217  -2.797
  246   2HB   LEU  34          1HB       LEU  34  -2.660   1.638  -4.288
  247    HG   LEU  34           HG       LEU  34  -2.228   4.459  -3.353
  248   1HD1  LEU  34          1HD1      LEU  34  -0.618   3.891  -1.887
  249   2HD1  LEU  34          2HD1      LEU  34  -0.124   2.473  -2.813
  250   3HD1  LEU  34          3HD1      LEU  34  -1.543   2.394  -1.770
  251   1HD2  LEU  34          1HD2      LEU  34  -1.305   2.781  -5.539
  252   2HD2  LEU  34          2HD2      LEU  34   0.019   3.510  -4.635
  253   3HD2  LEU  34          3HD2      LEU  34  -1.227   4.529  -5.343
  254    H    GLN  35           H        GLN  35  -5.542   5.185  -4.758
  255    HA   GLN  35           HA       GLN  35  -6.444   5.545  -2.130
  256   1HB   GLN  35          1HB       GLN  35  -7.104   6.628  -4.825
  257   2HB   GLN  35          2HB       GLN  35  -8.251   6.937  -3.524
  258   1HG   GLN  35          2HG       GLN  35  -5.408   7.470  -2.966
  259   2HG   GLN  35          1HG       GLN  35  -6.209   8.537  -4.116
  260   1HE2  GLN  35          2HE2      GLN  35  -6.543   7.158  -0.878
  261   2HE2  GLN  35          1HE2      GLN  35  -7.357   8.516  -0.188
  262    H    ASN  36           H        ASN  36  -7.827   3.991  -4.916
  263    HA   ASN  36           HA       ASN  36 -10.210   3.257  -3.365
  264   1HB   ASN  36          2HB       ASN  36 -11.091   2.733  -5.753
  265   2HB   ASN  36          1HB       ASN  36 -10.930   4.402  -5.231
  266   1HD2  ASN  36          2HD2      ASN  36  -9.110   5.588  -5.878
  267   2HD2  ASN  36          1HD2      ASN  36  -8.336   5.240  -7.374
  268    H    LEU  37           H        LEU  37  -7.401   1.971  -4.743
  269    HA   LEU  37           HA       LEU  37  -7.964  -0.516  -5.643
  270   1HB   LEU  37          2HB       LEU  37  -5.698   0.772  -4.665
  271   2HB   LEU  37          1HB       LEU  37  -5.816  -0.668  -3.685
  272    HG   LEU  37           HG       LEU  37  -4.481  -1.433  -5.366
  273   1HD1  LEU  37          1HD1      LEU  37  -6.566  -2.785  -5.304
  274   2HD1  LEU  37          2HD1      LEU  37  -5.677  -2.876  -6.818
  275   3HD1  LEU  37          3HD1      LEU  37  -7.129  -1.885  -6.710
  276   1HD2  LEU  37          1HD2      LEU  37  -5.338   0.871  -6.696
  277   2HD2  LEU  37          2HD2      LEU  37  -5.661  -0.472  -7.792
  278   3HD2  LEU  37          3HD2      LEU  37  -4.033  -0.222  -7.160
  279    H    THR  38           H        THR  38  -8.366  -2.553  -4.812
  280    HA   THR  38           HA       THR  38  -8.948  -2.744  -1.939
  281    HB   THR  38           HB       THR  38 -10.733  -4.405  -3.503
  282    HG1  THR  38           HG1      THR  38 -10.873  -2.910  -5.058
  283   1HG2  THR  38          1HG2      THR  38 -11.818  -2.145  -1.970
  284   2HG2  THR  38          2HG2      THR  38 -10.822  -3.287  -1.067
  285   3HG2  THR  38          3HG2      THR  38 -12.242  -3.857  -1.944
  286    H    ILE  39           H        ILE  39  -9.408  -5.137  -1.376
  287    HA   ILE  39           HA       ILE  39  -7.115  -6.669  -1.995
  288    HB   ILE  39           HB       ILE  39  -8.399  -6.962   0.086
  289   1HG1  ILE  39          1HG1      ILE  39  -8.444  -9.488   0.033
  290   2HG1  ILE  39          2HG1      ILE  39  -8.124  -9.388  -1.696
  291   1HG2  ILE  39          1HG2      ILE  39 -10.631  -6.718  -1.032
  292   2HG2  ILE  39          2HG2      ILE  39 -10.517  -8.017   0.155
  293   3HG2  ILE  39          3HG2      ILE  39 -10.460  -8.390  -1.568
  294   1HD1  ILE  39          1HD1      ILE  39  -6.232  -7.815  -0.201
  295   2HD1  ILE  39          2HD1      ILE  39  -5.957  -9.122  -1.352
  296   3HD1  ILE  39          3HD1      ILE  39  -6.257  -9.491   0.347
  297    H    GLU  40           H        GLU  40 -10.370  -6.521  -3.242
  298    HA   GLU  40           HA       GLU  40 -10.338  -8.844  -4.805
  299   1HB   GLU  40          2HB       GLU  40 -12.066  -7.541  -6.212
  300   2HB   GLU  40          1HB       GLU  40 -12.457  -7.921  -4.540
  301   1HG   GLU  40          1HG       GLU  40 -12.119  -5.724  -3.837
  302   2HG   GLU  40          2HG       GLU  40 -11.231  -5.298  -5.300
  303    H    ASP  41           H        ASP  41  -9.232  -5.572  -5.443
  304    HA   ASP  41           HA       ASP  41  -8.472  -6.213  -8.169
  305   1HB   ASP  41          2HB       ASP  41  -8.319  -3.739  -6.464
  306   2HB   ASP  41          1HB       ASP  41  -7.430  -3.839  -7.981
  307    H    LEU  42           H        LEU  42  -7.060  -6.051  -5.011
  308    HA   LEU  42           HA       LEU  42  -4.352  -5.795  -5.609
  309   1HB   LEU  42          2HB       LEU  42  -5.825  -7.218  -3.404
  310   2HB   LEU  42          1HB       LEU  42  -4.078  -7.226  -3.480
  311    HG   LEU  42           HG       LEU  42  -5.781  -5.295  -2.288
  312   1HD1  LEU  42          1HD2      LEU  42  -2.834  -4.980  -2.663
  313   2HD1  LEU  42          2HD2      LEU  42  -3.496  -6.266  -1.653
  314   3HD1  LEU  42          3HD2      LEU  42  -3.835  -4.579  -1.267
  315   1HD2  LEU  42          1HD1      LEU  42  -5.614  -4.304  -4.689
  316   2HD2  LEU  42          2HD1      LEU  42  -3.980  -3.872  -4.193
  317   3HD2  LEU  42          3HD1      LEU  42  -5.367  -3.267  -3.287
  318    H    GLY  43           H        GLY  43  -6.168  -8.806  -5.007
  319   1HA   GLY  43          1HA       GLY  43  -4.121 -10.542  -5.876
  320   2HA   GLY  43          2HA       GLY  43  -5.826 -10.951  -5.748
  321    H    ALA  44           H        ALA  44  -6.320  -8.567  -7.629
  322    HA   ALA  44           HA       ALA  44  -6.629 -10.005 -10.002
  323   1HB   ALA  44          1HB       ALA  44  -7.348  -8.019 -10.976
  324   2HB   ALA  44          2HB       ALA  44  -6.274  -7.029  -9.986
  325   3HB   ALA  44          3HB       ALA  44  -7.698  -7.778  -9.264
  326    H    LEU  45           H        LEU  45  -4.001  -8.008  -8.812
  327    HA   LEU  45           HA       LEU  45  -2.483  -7.816 -11.152
  328   1HB   LEU  45          2HB       LEU  45  -1.783  -7.783  -8.232
  329   2HB   LEU  45          1HB       LEU  45  -0.553  -7.599  -9.467
  330    HG   LEU  45           HG       LEU  45  -1.619  -5.583 -10.282
  331   1HD1  LEU  45          1HD2      LEU  45  -3.561  -4.623  -9.107
  332   2HD1  LEU  45          2HD2      LEU  45  -3.704  -6.114  -8.178
  333   3HD1  LEU  45          3HD2      LEU  45  -3.937  -6.139  -9.925
  334   1HD2  LEU  45          1HD1      LEU  45  -1.440  -4.186  -8.197
  335   2HD2  LEU  45          2HD1      LEU  45  -0.045  -5.205  -8.551
  336   3HD2  LEU  45          3HD1      LEU  45  -1.199  -5.692  -7.310
  337    H    LYS  46           H        LYS  46  -3.147 -10.543  -9.207
  338    HA   LYS  46           HA       LYS  46  -2.556 -12.731  -9.457
  339   1HB   LYS  46          2HB       LYS  46  -0.483 -12.147 -11.520
  340   2HB   LYS  46          1HB       LYS  46  -1.610 -13.492 -11.415
  341   1HG   LYS  46          1HG       LYS  46  -3.371 -11.567 -11.833
  342   2HG   LYS  46          2HG       LYS  46  -1.971 -10.795 -12.577
  343   1HD   LYS  46          2HD       LYS  46  -2.166 -12.077 -14.388
  344   2HD   LYS  46          1HD       LYS  46  -2.125 -13.540 -13.402
  345   1HE   LYS  46          2HE       LYS  46  -4.174 -13.575 -14.597
  346   2HE   LYS  46          1HE       LYS  46  -4.563 -13.166 -12.927
  347   1HZ   LYS  46          1HZ       LYS  46  -4.127 -11.027 -14.903
  348   2HZ   LYS  46          2HZ       LYS  46  -5.032 -10.993 -13.475
  349   3HZ   LYS  46          3HZ       LYS  46  -5.621 -11.817 -14.829
  350    H    ILE  47           H        ILE  47  -1.005 -10.551  -7.981
  351    HA   ILE  47           HA       ILE  47   1.663 -11.618  -7.775
  352    HB   ILE  47           HB       ILE  47   0.387  -9.722  -5.819
  353   1HG1  ILE  47          2HG1      ILE  47   1.714  -9.040  -8.454
  354   2HG1  ILE  47          1HG1      ILE  47  -0.002  -8.872  -8.098
  355   1HG2  ILE  47          1HG2      ILE  47   2.538 -10.610  -5.165
  356   2HG2  ILE  47          2HG2      ILE  47   2.699  -8.906  -5.594
  357   3HG2  ILE  47          3HG2      ILE  47   3.229 -10.153  -6.722
  358   1HD1  ILE  47          1HD1      ILE  47   1.904  -6.921  -7.834
  359   2HD1  ILE  47          2HD1      ILE  47   1.680  -7.488  -6.180
  360   3HD1  ILE  47          3HD1      ILE  47   0.298  -6.908  -7.107
  361    HA   PRO  48           HA       PRO  48   1.012 -14.977  -4.968
  362   1HB   PRO  48          2HB       PRO  48   3.368 -13.748  -3.589
  363   2HB   PRO  48          1HB       PRO  48   3.072 -15.438  -4.013
  364   1HG   PRO  48          2HG       PRO  48   4.714 -13.945  -5.482
  365   2HG   PRO  48          1HG       PRO  48   3.616 -15.109  -6.246
  366   1HD   PRO  48          2HD       PRO  48   3.459 -12.141  -6.148
  367   2HD   PRO  48          1HD       PRO  48   2.889 -13.263  -7.399
  368    H    GLU  49           H        GLU  49  -0.235 -15.208  -3.208
  369    HA   GLU  49           HA       GLU  49  -1.228 -12.940  -1.833
  370   1HB   GLU  49          1HB       GLU  49  -2.400 -15.176  -2.280
  371   2HB   GLU  49          2HB       GLU  49  -1.513 -15.786  -0.889
  372   1HG   GLU  49          1HG       GLU  49  -2.545 -14.065   0.514
  373   2HG   GLU  49          2HG       GLU  49  -3.446 -13.476  -0.882
  374    H    GLN  50           H        GLN  50   1.169 -12.352  -1.297
  375    HA   GLN  50           HA       GLN  50   2.179 -13.647   1.094
  376   1HB   GLN  50          2HB       GLN  50   3.259 -11.113  -0.120
  377   2HB   GLN  50          1HB       GLN  50   4.112 -12.317   0.838
  378   1HG   GLN  50          1HG       GLN  50   2.973 -12.949  -1.863
  379   2HG   GLN  50          2HG       GLN  50   4.580 -12.254  -1.658
  380   1HE2  GLN  50          2HE2      GLN  50   5.786 -13.928  -2.313
  381   2HE2  GLN  50          1HE2      GLN  50   5.829 -15.462  -1.528
  382    H    TYR  51           H        TYR  51   1.263 -10.315   0.215
  383    HA   TYR  51           HA       TYR  51   0.150  -9.966   2.900
  384   1HB   TYR  51          1HB       TYR  51   1.718  -7.697   1.748
  385   2HB   TYR  51          2HB       TYR  51   1.387  -8.087   3.432
  386    HD1  TYR  51           HD1      TYR  51   3.634  -8.601   0.618
  387    HD2  TYR  51           HD2      TYR  51   2.733  -9.786   4.603
  388    HE1  TYR  51           HE1      TYR  51   5.865  -9.611   0.814
  389    HE2  TYR  51           HE2      TYR  51   4.964 -10.801   4.811
  390    HH   TYR  51           HH       TYR  51   7.084 -11.156   2.078
  391    H    ARG  52           H        ARG  52  -1.165 -10.412   0.430
  392    HA   ARG  52           HA       ARG  52  -2.006  -8.127  -0.917
  393   1HB   ARG  52          2HB       ARG  52  -2.573 -10.830  -1.028
  394   2HB   ARG  52          1HB       ARG  52  -4.113 -10.121  -0.565
  395   1HG   ARG  52          2HG       ARG  52  -4.466  -9.305  -2.606
  396   2HG   ARG  52          1HG       ARG  52  -2.823  -8.668  -2.726
  397   1HD   ARG  52          2HD       ARG  52  -2.867 -10.250  -4.414
  398   2HD   ARG  52          1HD       ARG  52  -2.153 -11.144  -3.072
  399    HE   ARG  52           HE       ARG  52  -5.020 -11.385  -3.288
  400   1HH1  ARG  52          2HH1      ARG  52  -1.928 -12.688  -4.225
  401   2HH1  ARG  52          1HH1      ARG  52  -2.554 -14.266  -4.570
  402   1HH2  ARG  52          2HH2      ARG  52  -5.852 -13.460  -3.741
  403   2HH2  ARG  52          1HH2      ARG  52  -4.783 -14.704  -4.295
  404    H    MET  53           H        MET  53  -3.893  -9.872   1.562
  405    HA   MET  53           HA       MET  53  -5.853  -7.967   1.949
  406   1HB   MET  53          2HB       MET  53  -6.122  -8.970   4.227
  407   2HB   MET  53          1HB       MET  53  -6.091 -10.146   2.920
  408   1HG   MET  53          1HG       MET  53  -4.675 -11.207   4.304
  409   2HG   MET  53          2HG       MET  53  -3.494 -10.137   3.549
  410   1HE   MET  53          1HE       MET  53  -5.991  -8.557   6.653
  411   2HE   MET  53          2HE       MET  53  -5.458  -9.955   7.587
  412   3HE   MET  53          3HE       MET  53  -6.238 -10.185   6.022
  413    H    THR  54           H        THR  54  -2.693  -8.233   3.532
  414    HA   THR  54           HA       THR  54  -2.946  -6.248   5.443
  415    HB   THR  54           HB       THR  54  -0.523  -7.033   3.812
  416    HG1  THR  54           HG1      THR  54  -0.115  -8.402   5.453
  417   1HG2  THR  54          1HG2      THR  54   0.887  -5.986   5.357
  418   2HG2  THR  54          2HG2      THR  54  -0.441  -5.652   6.468
  419   3HG2  THR  54          3HG2      THR  54  -0.329  -4.776   4.940
  420    H    ILE  55           H        ILE  55  -1.871  -5.925   2.070
  421    HA   ILE  55           HA       ILE  55  -1.430  -3.153   2.144
  422    HB   ILE  55           HB       ILE  55  -2.184  -4.857  -0.225
  423   1HG1  ILE  55          2HG1      ILE  55   0.586  -3.930   0.480
  424   2HG1  ILE  55          1HG1      ILE  55  -0.074  -5.401   1.189
  425   1HG2  ILE  55          1HG2      ILE  55  -1.641  -2.015   0.066
  426   2HG2  ILE  55          2HG2      ILE  55  -2.346  -2.901  -1.287
  427   3HG2  ILE  55          3HG2      ILE  55  -0.593  -2.797  -1.117
  428   1HD1  ILE  55          1HD1      ILE  55  -0.594  -5.924  -1.361
  429   2HD1  ILE  55          2HD1      ILE  55   0.952  -6.310  -0.605
  430   3HD1  ILE  55          3HD1      ILE  55   0.788  -4.850  -1.581
  431    H    TRP  56           H        TRP  56  -4.289  -5.049   1.230
  432    HA   TRP  56           HA       TRP  56  -5.909  -2.957   0.358
  433   1HB   TRP  56          1HB       TRP  56  -6.674  -5.143  -0.074
  434   2HB   TRP  56          2HB       TRP  56  -6.490  -5.636   1.603
  435    HD1  TRP  56           HD1      TRP  56  -8.528  -2.629   0.234
  436    HE1  TRP  56           HE1      TRP  56 -10.962  -2.910   1.042
  437    HE3  TRP  56           HE3      TRP  56  -8.099  -7.150   2.570
  438    HZ2  TRP  56           HZ2      TRP  56 -12.481  -4.776   2.465
  439    HZ3  TRP  56           HZ3      TRP  56 -10.098  -8.120   3.636
  440    HH2  TRP  56           HH2      TRP  56 -12.246  -6.955   3.584
  441    H    ARG  57           H        ARG  57  -5.778  -4.431   3.610
  442    HA   ARG  57           HA       ARG  57  -7.540  -2.644   4.839
  443   1HB   ARG  57          1HB       ARG  57  -6.662  -3.443   6.948
  444   2HB   ARG  57          2HB       ARG  57  -6.809  -4.792   5.831
  445   1HG   ARG  57          2HG       ARG  57  -4.581  -5.144   5.740
  446   2HG   ARG  57          1HG       ARG  57  -4.191  -3.432   5.908
  447   1HD   ARG  57          1HD       ARG  57  -5.412  -4.817   8.233
  448   2HD   ARG  57          2HD       ARG  57  -3.728  -5.173   7.851
  449    HE   ARG  57           HE       ARG  57  -3.999  -2.411   7.851
  450   1HH1  ARG  57          2HH1      ARG  57  -4.296  -5.046  10.109
  451   2HH1  ARG  57          1HH1      ARG  57  -3.843  -4.091  11.481
  452   1HH2  ARG  57          1HH2      ARG  57  -3.400  -1.145   9.651
  453   2HH2  ARG  57          2HH2      ARG  57  -3.333  -1.873  11.221
  454    H    GLY  58           H        GLY  58  -4.142  -2.356   4.091
  455   1HA   GLY  58          1HA       GLY  58  -3.736  -0.035   5.756
  456   2HA   GLY  58          2HA       GLY  58  -2.604  -0.688   4.579
  457    H    LEU  59           H        LEU  59  -4.748  -0.681   2.503
  458    HA   LEU  59           HA       LEU  59  -4.303   2.018   1.581
  459   1HB   LEU  59          1HB       LEU  59  -5.035  -0.529   0.418
  460   2HB   LEU  59          2HB       LEU  59  -6.103   0.741  -0.149
  461    HG   LEU  59           HG       LEU  59  -4.298   1.974  -1.085
  462   1HD1  LEU  59          1HD2      LEU  59  -2.386   2.016   0.056
  463   2HD1  LEU  59          2HD2      LEU  59  -1.985   0.504  -0.759
  464   3HD1  LEU  59          3HD2      LEU  59  -2.727   0.474   0.840
  465   1HD2  LEU  59          1HD1      LEU  59  -4.528   0.565  -2.797
  466   2HD2  LEU  59          2HD1      LEU  59  -4.666  -0.832  -1.729
  467   3HD2  LEU  59          3HD1      LEU  59  -3.075  -0.238  -2.202
  468    H    GLN  60           H        GLN  60  -7.036   0.034   2.627
  469    HA   GLN  60           HA       GLN  60  -9.067   1.914   2.083
  470   1HB   GLN  60          1HB       GLN  60 -10.480   0.569   3.479
  471   2HB   GLN  60          2HB       GLN  60  -9.422  -0.515   2.586
  472   1HG   GLN  60          2HG       GLN  60  -7.997  -0.754   4.547
  473   2HG   GLN  60          1HG       GLN  60  -9.040   0.349   5.443
  474   1HE2  GLN  60          1HE2      GLN  60  -9.796  -2.317   3.240
  475   2HE2  GLN  60          2HE2      GLN  60 -10.734  -3.221   4.375
  476    H    ASP  61           H        ASP  61  -6.765   1.597   4.658
  477    HA   ASP  61           HA       ASP  61  -8.029   3.188   6.608
  478   1HB   ASP  61          2HB       ASP  61  -5.743   1.720   6.540
  479   2HB   ASP  61          1HB       ASP  61  -5.081   3.348   6.434
  480    H    LEU  62           H        LEU  62  -6.195   3.954   3.747
  481    HA   LEU  62           HA       LEU  62  -5.632   6.665   4.340
  482   1HB   LEU  62          1HB       LEU  62  -5.863   5.139   1.749
  483   2HB   LEU  62          2HB       LEU  62  -5.456   6.844   1.799
  484    HG   LEU  62           HG       LEU  62  -3.816   4.958   3.424
  485   1HD1  LEU  62          1HD2      LEU  62  -4.165   4.749   0.565
  486   2HD1  LEU  62          2HD2      LEU  62  -3.256   3.716   1.669
  487   3HD1  LEU  62          3HD2      LEU  62  -2.501   5.156   0.986
  488   1HD2  LEU  62          1HD1      LEU  62  -2.891   7.249   1.732
  489   2HD2  LEU  62          2HD1      LEU  62  -2.152   6.562   3.178
  490   3HD2  LEU  62          3HD1      LEU  62  -3.624   7.523   3.313
  491    H    LYS  63           H        LYS  63  -8.192   5.143   2.398
  492    HA   LYS  63           HA       LYS  63  -9.571   7.440   1.668
  493   1HB   LYS  63          2HB       LYS  63 -10.084   5.309   0.659
  494   2HB   LYS  63          1HB       LYS  63 -10.592   4.648   2.206
  495   1HG   LYS  63          1HG       LYS  63 -12.520   6.057   2.256
  496   2HG   LYS  63          2HG       LYS  63 -11.966   6.947   0.836
  497   1HD   LYS  63          2HD       LYS  63 -12.698   4.021   0.893
  498   2HD   LYS  63          1HD       LYS  63 -13.725   5.321   0.284
  499   1HE   LYS  63          2HE       LYS  63 -11.483   5.795  -1.126
  500   2HE   LYS  63          1HE       LYS  63 -11.353   4.048  -0.924
  501   1HZ   LYS  63          1HZ       LYS  63 -13.613   3.852  -1.835
  502   2HZ   LYS  63          2HZ       LYS  63 -12.531   4.539  -2.938
  503   3HZ   LYS  63          3HZ       LYS  63 -13.639   5.519  -2.118
  504    H    GLN  64           H        GLN  64  -9.985   5.392   4.537
  505    HA   GLN  64           HA       GLN  64 -12.194   6.504   5.694
  506   1HB   GLN  64          2HB       GLN  64  -9.703   5.296   6.805
  507   2HB   GLN  64          1HB       GLN  64 -10.803   6.094   7.920
  508   1HG   GLN  64          1HG       GLN  64 -12.560   4.581   6.590
  509   2HG   GLN  64          2HG       GLN  64 -11.120   3.579   6.413
  510   1HE2  GLN  64          1HE2      GLN  64 -12.773   2.242   7.714
  511   2HE2  GLN  64          2HE2      GLN  64 -12.588   2.310   9.430
  512    H    GLY  65           H        GLY  65  -8.868   7.736   5.899
  513   1HA   GLY  65          2HA       GLY  65  -8.677  10.201   5.755
  514   2HA   GLY  65          1HA       GLY  65  -9.996  10.274   6.912
  515    H    HIS  66           H        HIS  66  -8.695   7.874   8.293
  516    HA   HIS  66           HA       HIS  66  -6.840   9.486   9.891
  517   1HB   HIS  66          1HB       HIS  66  -8.888   7.591  10.535
  518   2HB   HIS  66          2HB       HIS  66  -7.348   6.985  11.136
  519    HD1  HIS  66           HD1      HIS  66  -9.312  10.246  11.266
  520    HD2  HIS  66           HD2      HIS  66  -6.721   7.960  13.575
  521    HE1  HIS  66           HE1      HIS  66  -9.143  11.443  13.472
  522    HE2  HIS  66           HE2      HIS  66  -7.570  10.042  14.854
  523    H    ASP  67           H        ASP  67  -4.749   8.921  10.214
  524    HA   ASP  67           HA       ASP  67  -3.572   6.442   9.920
  525   1HB   ASP  67          2HB       ASP  67  -2.398   6.838   7.672
  526   2HB   ASP  67          1HB       ASP  67  -4.080   6.319   7.622
  527    H    TYR  68           HN       TYR  68  -1.574   6.539  10.740
  528    HA   TYR  68           HA       TYR  68   0.266   7.420  11.749
  529   1HB   TYR  68          1HB       TYR  68   1.140   7.592   9.556
  530   2HB   TYR  68          2HB       TYR  68   0.112   8.966   9.171
  531    HD1  TYR  68           HD1      TYR  68   3.219   7.876  10.735
  532    HD2  TYR  68           HD2      TYR  68   0.686  11.212   9.988
  533    HE1  TYR  68           HE1      TYR  68   5.054   9.398  11.340
  534    HE2  TYR  68           HE2      TYR  68   2.513  12.743  10.591
  535    HH   TYR  68           HH       TYR  68   5.571  12.030  10.635
  Start of MODEL   16
    1   1H    TYR   1          1H        TYR   1   8.846  22.029   1.947
    2   2H    TYR   1          2H        TYR   1   8.985  21.488   0.325
    3   3H    TYR   1          3H        TYR   1   8.967  20.352   1.610
    4    HA   TYR   1           HA       TYR   1   6.716  21.349   2.155
    5   1HB   TYR   1          2HB       TYR   1   6.781  21.944  -0.796
    6   2HB   TYR   1          1HB       TYR   1   5.598  22.458   0.403
    7    HD1  TYR   1           HD1      TYR   1   8.041  23.664  -1.647
    8    HD2  TYR   1           HD2      TYR   1   6.884  23.818   2.445
    9    HE1  TYR   1           HE1      TYR   1   9.234  25.801  -1.396
   10    HE2  TYR   1           HE2      TYR   1   8.073  25.954   2.707
   11    HH   TYR   1           HH       TYR   1   9.257  27.741   0.032
   12    H    HIS   2           H        HIS   2   5.883  19.385   2.445
   13    HA   HIS   2           HA       HIS   2   4.953  17.357   1.988
   14   1HB   HIS   2          2HB       HIS   2   5.421  17.809  -0.952
   15   2HB   HIS   2          1HB       HIS   2   4.142  16.883  -0.172
   16    HD1  HIS   2           HD1      HIS   2   3.377  19.234   1.857
   17    HD2  HIS   2           HD2      HIS   2   3.680  19.517  -2.278
   18    HE1  HIS   2           HE1      HIS   2   1.944  21.196   1.212
   19    HE2  HIS   2           HE2      HIS   2   2.141  21.350  -1.295
   20    H    ALA   3           H        ALA   3   5.506  15.307   0.399
   21    HA   ALA   3           HA       ALA   3   8.422  15.019   0.288
   22   1HB   ALA   3          1HB       ALA   3   8.416  13.776   2.133
   23   2HB   ALA   3          2HB       ALA   3   7.556  12.551   1.201
   24   3HB   ALA   3          3HB       ALA   3   6.653  13.714   2.172
   25    H    ASP   4           H        ASP   4   9.155  13.837  -1.397
   26    HA   ASP   4           HA       ASP   4   7.412  13.251  -3.540
   27   1HB   ASP   4          2HB       ASP   4  10.300  13.015  -2.992
   28   2HB   ASP   4          1HB       ASP   4   9.674  11.855  -4.160
   29    HA   PRO   5           HA       PRO   5   7.932   8.659  -2.345
   30   1HB   PRO   5          2HB       PRO   5   9.336   7.947  -0.185
   31   2HB   PRO   5          1HB       PRO   5  10.140   8.375  -1.700
   32   1HG   PRO   5          1HG       PRO   5   9.774  10.002   0.782
   33   2HG   PRO   5          2HG       PRO   5  11.187   9.880  -0.280
   34   1HD   PRO   5          2HD       PRO   5   9.319  11.925  -0.350
   35   2HD   PRO   5          1HD       PRO   5  10.403  11.494  -1.686
   36    H    SER   6           H        SER   6   5.799  10.062  -1.619
   37    HA   SER   6           HA       SER   6   5.133   9.716   1.162
   38   1HB   SER   6          2HB       SER   6   4.242  11.623  -0.122
   39   2HB   SER   6          1HB       SER   6   3.380  10.506  -1.181
   40    HG   SER   6           HG       SER   6   2.350  11.545   0.861
   41    H    LEU   7           H        LEU   7   4.653   7.955  -1.805
   42    HA   LEU   7           HA       LEU   7   2.711   6.177  -0.567
   43   1HB   LEU   7          1HB       LEU   7   2.735   6.991  -3.046
   44   2HB   LEU   7          2HB       LEU   7   3.926   5.728  -3.271
   45    HG   LEU   7           HG       LEU   7   1.000   5.516  -2.840
   46   1HD1  LEU   7          1HD2      LEU   7   3.110   4.218  -4.485
   47   2HD1  LEU   7          2HD2      LEU   7   1.598   4.977  -4.981
   48   3HD1  LEU   7          3HD2      LEU   7   1.575   3.388  -4.213
   49   1HD2  LEU   7          1HD1      LEU   7   2.943   3.504  -1.714
   50   2HD2  LEU   7          2HD1      LEU   7   1.239   3.179  -2.012
   51   3HD2  LEU   7          3HD1      LEU   7   1.707   4.402  -0.833
   52    H    VAL   8           H        VAL   8   5.803   5.723  -2.293
   53    HA   VAL   8           HA       VAL   8   6.320   3.119  -1.778
   54    HB   VAL   8           HB       VAL   8   8.701   3.592  -1.884
   55   1HG1  VAL   8          1HG1      VAL   8   7.292   3.744  -3.930
   56   2HG1  VAL   8          2HG1      VAL   8   8.764   4.712  -4.005
   57   3HG1  VAL   8          3HG1      VAL   8   7.212   5.490  -3.692
   58   1HG2  VAL   8          1HG2      VAL   8   7.874   6.449  -1.400
   59   2HG2  VAL   8          2HG2      VAL   8   9.474   5.965  -1.962
   60   3HG2  VAL   8          3HG2      VAL   8   8.899   5.440  -0.380
   61    H    SER   9           H        SER   9   6.688   5.773   0.510
   62    HA   SER   9           HA       SER   9   8.101   4.453   2.512
   63   1HB   SER   9          2HB       SER   9   7.941   6.716   2.916
   64   2HB   SER   9          1HB       SER   9   6.238   6.784   2.466
   65    HG   SER   9           HG       SER   9   7.076   5.380   4.761
   66    H    PHE  10           H        PHE  10   4.586   4.810   2.147
   67    HA   PHE  10           HA       PHE  10   4.042   3.057   4.354
   68   1HB   PHE  10          1HB       PHE  10   2.585   4.938   2.837
   69   2HB   PHE  10          2HB       PHE  10   1.775   3.392   2.606
   70    HD1  PHE  10           HD1      PHE  10   1.860   2.025   5.056
   71    HD2  PHE  10           HD2      PHE  10   1.524   6.216   4.404
   72    HE1  PHE  10           HE1      PHE  10   0.757   2.272   7.242
   73    HE2  PHE  10           HE2      PHE  10   0.420   6.472   6.589
   74    HZ   PHE  10           HZ       PHE  10   0.036   4.498   8.010
   75    H    LEU  11           H        LEU  11   4.040   2.766   0.842
   76    HA   LEU  11           HA       LEU  11   2.775   0.381   0.434
   77   1HB   LEU  11          2HB       LEU  11   4.140   2.018  -1.156
   78   2HB   LEU  11          1HB       LEU  11   5.374   0.789  -0.956
   79    HG   LEU  11           HG       LEU  11   4.112   0.382  -2.986
   80   1HD1  LEU  11          1HD1      LEU  11   3.065  -1.724  -1.167
   81   2HD1  LEU  11          2HD1      LEU  11   4.810  -1.490  -1.271
   82   3HD1  LEU  11          3HD1      LEU  11   3.884  -1.874  -2.722
   83   1HD2  LEU  11          1HD2      LEU  11   1.848   0.949  -1.230
   84   2HD2  LEU  11          2HD2      LEU  11   1.613  -0.460  -2.265
   85   3HD2  LEU  11          3HD2      LEU  11   1.997   1.106  -2.980
   86    H    THR  12           H        THR  12   6.255   0.730   1.056
   87    HA   THR  12           HA       THR  12   6.661  -2.069   1.402
   88    HB   THR  12           HB       THR  12   8.443   0.192   2.324
   89    HG1  THR  12           HG1      THR  12   8.349   0.590   0.232
   90   1HG2  THR  12          1HG2      THR  12   8.751  -2.639   2.412
   91   2HG2  THR  12          2HG2      THR  12   9.855  -1.374   2.954
   92   3HG2  THR  12          3HG2      THR  12   9.923  -1.950   1.287
   93    H    GLY  13           H        GLY  13   6.556   0.674   3.671
   94   1HA   GLY  13          2HA       GLY  13   7.006  -0.651   6.047
   95   2HA   GLY  13          1HA       GLY  13   5.965   0.757   5.892
   96    H    LEU  14           H        LEU  14   4.126  -0.657   4.079
   97    HA   LEU  14           HA       LEU  14   2.260  -1.583   5.933
   98   1HB   LEU  14          2HB       LEU  14   2.301  -0.987   3.248
   99   2HB   LEU  14          1HB       LEU  14   2.031  -2.716   3.243
  100    HG   LEU  14           HG       LEU  14   0.001  -2.485   4.478
  101   1HD1  LEU  14          1HD2      LEU  14   1.166   0.084   5.224
  102   2HD1  LEU  14          2HD2      LEU  14  -0.006  -0.922   6.078
  103   3HD1  LEU  14          3HD2      LEU  14  -0.547   0.176   4.808
  104   1HD2  LEU  14          1HD1      LEU  14  -0.129  -0.172   2.589
  105   2HD2  LEU  14          2HD1      LEU  14  -1.323  -1.434   2.893
  106   3HD2  LEU  14          3HD1      LEU  14   0.145  -1.808   1.988
  107    H    GLY  15           H        GLY  15   4.978  -3.157   4.553
  108   1HA   GLY  15          1HA       GLY  15   5.671  -5.207   5.732
  109   2HA   GLY  15          2HA       GLY  15   4.002  -5.741   5.592
  110    H    CYS  16           H        CYS  16   5.188  -4.068   2.856
  111    HA   CYS  16           HA       CYS  16   5.711  -6.631   1.493
  112   1HB   CYS  16          2HB       CYS  16   4.476  -4.217   0.168
  113   2HB   CYS  16          1HB       CYS  16   4.569  -5.864  -0.449
  114    HG   CYS  16           HG       CYS  16   2.805  -6.501   1.458
  115    HA   PRO  17           HA       PRO  17   9.314  -3.797   0.835
  116   1HB   PRO  17          2HB       PRO  17  11.238  -5.292   1.935
  117   2HB   PRO  17          1HB       PRO  17  10.159  -4.307   2.930
  118   1HG   PRO  17          2HG       PRO  17  10.083  -7.248   2.386
  119   2HG   PRO  17          1HG       PRO  17   9.799  -6.382   3.907
  120   1HD   PRO  17          2HD       PRO  17   7.808  -7.317   2.234
  121   2HD   PRO  17          1HD       PRO  17   7.604  -6.004   3.409
  122    H    ASN  18           H        ASN  18   8.206  -6.605  -0.455
  123    HA   ASN  18           HA       ASN  18  10.304  -6.604  -2.480
  124   1HB   ASN  18          2HB       ASN  18   9.360  -9.241  -1.383
  125   2HB   ASN  18          1HB       ASN  18  10.781  -8.902  -2.367
  126   1HD2  ASN  18          1HD2      ASN  18   9.853  -9.763   0.606
  127   2HD2  ASN  18          2HD2      ASN  18  11.161  -9.128   1.540
  128    H    CYS  19           H        CYS  19   7.296  -6.002  -2.085
  129    HA   CYS  19           HA       CYS  19   6.365  -7.593  -4.383
  130   1HB   CYS  19          1HB       CYS  19   4.556  -6.299  -2.348
  131   2HB   CYS  19          2HB       CYS  19   4.154  -7.545  -3.526
  132    HG   CYS  19           HG       CYS  19   4.720  -8.223  -0.828
  133    H    ILE  20           H        ILE  20   6.921  -4.435  -3.130
  134    HA   ILE  20           HA       ILE  20   5.176  -2.842  -4.533
  135    HB   ILE  20           HB       ILE  20   6.787  -1.952  -2.918
  136   1HG1  ILE  20          2HG1      ILE  20   7.456  -0.535  -5.464
  137   2HG1  ILE  20          1HG1      ILE  20   5.766  -0.640  -4.981
  138   1HG2  ILE  20          1HG2      ILE  20   8.656  -3.427  -4.091
  139   2HG2  ILE  20          2HG2      ILE  20   9.047  -1.977  -3.166
  140   3HG2  ILE  20          3HG2      ILE  20   8.965  -1.905  -4.927
  141   1HD1  ILE  20          1HD1      ILE  20   8.009   0.573  -3.388
  142   2HD1  ILE  20          2HD1      ILE  20   6.341   0.409  -2.836
  143   3HD1  ILE  20          3HD1      ILE  20   6.716   1.434  -4.223
  144    H    GLU  21           H        GLU  21   8.120  -4.405  -5.688
  145    HA   GLU  21           HA       GLU  21   8.416  -3.175  -8.147
  146   1HB   GLU  21          1HB       GLU  21   9.248  -5.545  -8.864
  147   2HB   GLU  21          2HB       GLU  21  10.133  -4.644  -7.640
  148   1HG   GLU  21          1HG       GLU  21   8.094  -6.220  -6.394
  149   2HG   GLU  21          2HG       GLU  21   9.076  -7.232  -7.452
  150    H    TYR  22           H        TYR  22   6.369  -5.946  -7.291
  151    HA   TYR  22           HA       TYR  22   5.297  -6.270  -9.913
  152   1HB   TYR  22          1HB       TYR  22   4.205  -7.196  -7.245
  153   2HB   TYR  22          2HB       TYR  22   3.652  -7.748  -8.824
  154    HD1  TYR  22           HD1      TYR  22   6.554  -7.725  -6.527
  155    HD2  TYR  22           HD2      TYR  22   4.792  -9.465  -9.985
  156    HE1  TYR  22           HE1      TYR  22   8.269  -9.483  -6.506
  157    HE2  TYR  22           HE2      TYR  22   6.502 -11.231  -9.976
  158    HH   TYR  22           HH       TYR  22   8.154 -12.197  -8.758
  159    H    PHE  23           H        PHE  23   4.280  -4.560  -7.005
  160    HA   PHE  23           HA       PHE  23   1.730  -3.766  -7.908
  161   1HB   PHE  23          1HB       PHE  23   3.631  -2.762  -5.816
  162   2HB   PHE  23          2HB       PHE  23   2.206  -1.812  -6.221
  163    HD1  PHE  23           HD1      PHE  23  -0.063  -2.861  -5.972
  164    HD2  PHE  23           HD2      PHE  23   3.479  -4.632  -4.417
  165    HE1  PHE  23           HE1      PHE  23  -1.425  -4.250  -4.465
  166    HE2  PHE  23           HE2      PHE  23   2.125  -6.025  -2.906
  167    HZ   PHE  23           HZ       PHE  23  -0.331  -5.835  -2.929
  168    H    THR  24           H        THR  24   4.816  -1.971  -7.845
  169    HA   THR  24           HA       THR  24   4.002   0.333  -9.125
  170    HB   THR  24           HB       THR  24   6.349   0.615  -9.813
  171    HG1  THR  24           HG1      THR  24   7.520  -1.069 -10.164
  172   1HG2  THR  24          1HG2      THR  24   7.451   0.085  -7.568
  173   2HG2  THR  24          2HG2      THR  24   5.840  -0.417  -7.059
  174   3HG2  THR  24          3HG2      THR  24   6.118   1.238  -7.597
  175    H    SER  25           H        SER  25   4.658  -2.814 -10.478
  176    HA   SER  25           HA       SER  25   5.068  -2.254 -13.140
  177   1HB   SER  25          2HB       SER  25   4.594  -4.480 -13.553
  178   2HB   SER  25          1HB       SER  25   4.873  -4.534 -11.813
  179    HG   SER  25           HG       SER  25   2.958  -5.612 -12.324
  180    H    GLN  26           H        GLN  26   2.167  -1.899 -11.287
  181    HA   GLN  26           HA       GLN  26   0.583  -1.456 -13.716
  182   1HB   GLN  26          1HB       GLN  26  -0.630  -1.328 -10.993
  183   2HB   GLN  26          2HB       GLN  26  -1.322  -1.915 -12.499
  184   1HG   GLN  26          2HG       GLN  26   0.858  -3.374 -11.038
  185   2HG   GLN  26          1HG       GLN  26  -0.855  -3.641 -10.720
  186   1HE2  GLN  26          2HE2      GLN  26   0.763  -5.687 -11.554
  187   2HE2  GLN  26          1HE2      GLN  26   0.326  -6.155 -13.157
  188    H    GLY  27           H        GLY  27   1.426   0.092 -10.637
  189   1HA   GLY  27          1HA       GLY  27   2.014   2.581 -11.302
  190   2HA   GLY  27          2HA       GLY  27   0.275   2.614 -11.561
  191    H    LEU  28           H        LEU  28   2.196   1.013  -9.047
  192    HA   LEU  28           HA       LEU  28   0.523   2.337  -7.047
  193   1HB   LEU  28          1HB       LEU  28   1.664  -0.281  -7.303
  194   2HB   LEU  28          2HB       LEU  28   2.236   0.455  -5.819
  195    HG   LEU  28           HG       LEU  28   0.128  -0.946  -5.649
  196   1HD1  LEU  28          1HD2      LEU  28  -1.009   1.277  -4.491
  197   2HD1  LEU  28          2HD2      LEU  28   0.708   1.674  -4.529
  198   3HD1  LEU  28          3HD2      LEU  28   0.163   0.198  -3.735
  199   1HD2  LEU  28          1HD1      LEU  28  -1.905  -0.162  -6.465
  200   2HD2  LEU  28          2HD1      LEU  28  -0.790   0.125  -7.802
  201   3HD2  LEU  28          3HD1      LEU  28  -1.274   1.460  -6.755
  202    H    GLN  29           H        GLN  29   2.336   3.999  -8.196
  203    HA   GLN  29           HA       GLN  29   4.451   4.299  -6.172
  204   1HB   GLN  29          1HB       GLN  29   5.312   6.015  -7.947
  205   2HB   GLN  29          2HB       GLN  29   5.590   4.296  -8.187
  206   1HG   GLN  29          2HG       GLN  29   3.697   4.179  -9.702
  207   2HG   GLN  29          1HG       GLN  29   3.360   5.889  -9.432
  208   1HE2  GLN  29          2HE2      GLN  29   5.989   3.743 -10.454
  209   2HE2  GLN  29          1HE2      GLN  29   6.611   4.801 -11.670
  210    H    SER  30           H        SER  30   1.530   5.584  -7.395
  211    HA   SER  30           HA       SER  30   1.839   7.982  -5.723
  212   1HB   SER  30          2HB       SER  30  -0.130   8.715  -7.440
  213   2HB   SER  30          1HB       SER  30   1.573   9.092  -7.697
  214    HG   SER  30           HG       SER  30   0.657   8.128  -9.541
  215    H    ILE  31           H        ILE  31   0.808   7.390  -3.906
  216    HA   ILE  31           HA       ILE  31  -1.051   5.520  -3.468
  217    HB   ILE  31           HB       ILE  31   0.013   7.066  -1.763
  218   1HG1  ILE  31          1HG1      ILE  31  -2.612   6.906  -0.663
  219   2HG1  ILE  31          2HG1      ILE  31  -2.384   5.520  -1.727
  220   1HG2  ILE  31          1HG2      ILE  31  -0.911   9.079  -1.194
  221   2HG2  ILE  31          2HG2      ILE  31  -2.501   8.653  -1.831
  222   3HG2  ILE  31          3HG2      ILE  31  -1.195   9.083  -2.934
  223   1HD1  ILE  31          1HD1      ILE  31  -0.033   5.787  -0.198
  224   2HD1  ILE  31          2HD1      ILE  31  -1.250   4.511  -0.134
  225   3HD1  ILE  31          3HD1      ILE  31  -1.403   5.929   0.903
  226    H    TYR  32           H        TYR  32  -1.697   8.625  -4.935
  227    HA   TYR  32           HA       TYR  32  -4.472   8.733  -4.694
  228   1HB   TYR  32          1HB       TYR  32  -3.012  10.553  -5.600
  229   2HB   TYR  32          2HB       TYR  32  -2.856   9.626  -7.090
  230    HD1  TYR  32           HD1      TYR  32  -4.187  10.323  -8.825
  231    HD2  TYR  32           HD2      TYR  32  -5.629  10.765  -4.847
  232    HE1  TYR  32           HE1      TYR  32  -6.246  11.353  -9.692
  233    HE2  TYR  32           HE2      TYR  32  -7.692  11.796  -5.703
  234    HH   TYR  32           HH       TYR  32  -9.007  11.814  -7.804
  235    H    HIS  33           H        HIS  33  -2.488   6.610  -6.533
  236    HA   HIS  33           HA       HIS  33  -4.579   5.866  -8.395
  237   1HB   HIS  33          2HB       HIS  33  -1.879   5.817  -8.593
  238   2HB   HIS  33          1HB       HIS  33  -2.183   4.149  -8.119
  239    HD1  HIS  33           HD1      HIS  33  -2.250   2.712 -10.118
  240    HD2  HIS  33           HD2      HIS  33  -3.938   6.440 -10.851
  241    HE1  HIS  33           HE1      HIS  33  -3.035   2.638 -12.506
  242    HE2  HIS  33           HE2      HIS  33  -4.053   4.903 -12.929
  243    H    LEU  34           H        LEU  34  -3.394   4.858  -5.308
  244    HA   LEU  34           HA       LEU  34  -4.939   2.371  -5.485
  245   1HB   LEU  34          2HB       LEU  34  -3.745   2.080  -3.135
  246   2HB   LEU  34          1HB       LEU  34  -2.976   1.640  -4.644
  247    HG   LEU  34           HG       LEU  34  -2.565   4.346  -3.399
  248   1HD1  LEU  34          1HD1      LEU  34  -1.728   1.851  -2.331
  249   2HD1  LEU  34          2HD1      LEU  34  -1.330   3.479  -1.781
  250   3HD1  LEU  34          3HD1      LEU  34  -0.316   2.683  -2.984
  251   1HD2  LEU  34          1HD2      LEU  34  -1.759   3.095  -5.813
  252   2HD2  LEU  34          2HD2      LEU  34  -0.328   3.296  -4.802
  253   3HD2  LEU  34          3HD2      LEU  34  -1.326   4.690  -5.204
  254    H    GLN  35           H        GLN  35  -5.765   5.272  -4.974
  255    HA   GLN  35           HA       GLN  35  -6.674   5.617  -2.370
  256   1HB   GLN  35          1HB       GLN  35  -7.345   6.692  -5.059
  257   2HB   GLN  35          2HB       GLN  35  -8.512   6.982  -3.773
  258   1HG   GLN  35          1HG       GLN  35  -5.649   7.578  -3.291
  259   2HG   GLN  35          2HG       GLN  35  -6.589   8.669  -4.304
  260   1HE2  GLN  35          2HE2      GLN  35  -5.498   8.313  -1.302
  261   2HE2  GLN  35          1HE2      GLN  35  -6.748   9.097  -0.403
  262    H    ASN  36           H        ASN  36  -8.137   4.079  -5.126
  263    HA   ASN  36           HA       ASN  36 -10.498   3.382  -3.527
  264   1HB   ASN  36          2HB       ASN  36 -11.404   2.810  -5.905
  265   2HB   ASN  36          1HB       ASN  36 -11.257   4.486  -5.408
  266   1HD2  ASN  36          2HD2      ASN  36  -9.443   5.676  -6.077
  267   2HD2  ASN  36          1HD2      ASN  36  -8.677   5.317  -7.577
  268    H    LEU  37           H        LEU  37  -7.750   2.083  -5.067
  269    HA   LEU  37           HA       LEU  37  -8.406  -0.460  -5.799
  270   1HB   LEU  37          2HB       LEU  37  -6.043   0.922  -5.003
  271   2HB   LEU  37          1HB       LEU  37  -6.017  -0.668  -4.282
  272    HG   LEU  37           HG       LEU  37  -6.714  -0.572  -7.153
  273   1HD1  LEU  37          1HD2      LEU  37  -4.058   0.301  -6.080
  274   2HD1  LEU  37          2HD2      LEU  37  -5.023   1.005  -7.378
  275   3HD1  LEU  37          3HD2      LEU  37  -4.185  -0.525  -7.633
  276   1HD2  LEU  37          1HD1      LEU  37  -5.515  -2.603  -7.226
  277   2HD2  LEU  37          2HD1      LEU  37  -6.431  -2.632  -5.719
  278   3HD2  LEU  37          3HD1      LEU  37  -4.705  -2.267  -5.697
  279    H    THR  38           H        THR  38  -8.466  -2.500  -4.775
  280    HA   THR  38           HA       THR  38  -8.709  -2.514  -1.855
  281    HB   THR  38           HB       THR  38 -10.708  -4.248  -3.025
  282    HG1  THR  38           HG1      THR  38 -11.372  -2.971  -4.546
  283   1HG2  THR  38          1HG2      THR  38 -12.177  -2.523  -1.674
  284   2HG2  THR  38          2HG2      THR  38 -10.609  -2.105  -0.984
  285   3HG2  THR  38          3HG2      THR  38 -11.209  -3.759  -0.872
  286    H    ILE  39           H        ILE  39  -9.172  -4.920  -1.168
  287    HA   ILE  39           HA       ILE  39  -6.955  -6.493  -1.902
  288    HB   ILE  39           HB       ILE  39  -8.184  -6.766   0.225
  289   1HG1  ILE  39          1HG1      ILE  39  -8.192  -9.269   0.219
  290   2HG1  ILE  39          2HG1      ILE  39  -8.012  -9.223  -1.532
  291   1HG2  ILE  39          1HG2      ILE  39 -10.447  -6.534  -0.868
  292   2HG2  ILE  39          2HG2      ILE  39 -10.303  -7.786   0.365
  293   3HG2  ILE  39          3HG2      ILE  39 -10.287  -8.225  -1.343
  294   1HD1  ILE  39          1HD1      ILE  39  -5.971  -7.605  -0.546
  295   2HD1  ILE  39          2HD1      ILE  39  -5.826  -9.226  -1.224
  296   3HD1  ILE  39          3HD1      ILE  39  -6.017  -9.013   0.516
  297    H    GLU  40           H        GLU  40 -10.244  -6.274  -3.032
  298    HA   GLU  40           HA       GLU  40 -10.364  -8.589  -4.586
  299   1HB   GLU  40          2HB       GLU  40 -12.032  -7.207  -5.982
  300   2HB   GLU  40          1HB       GLU  40 -12.416  -7.520  -4.296
  301   1HG   GLU  40          2HG       GLU  40 -12.235  -5.354  -3.707
  302   2HG   GLU  40          1HG       GLU  40 -10.935  -5.034  -4.853
  303    H    ASP  41           H        ASP  41  -9.084  -5.391  -5.272
  304    HA   ASP  41           HA       ASP  41  -8.379  -6.106  -7.995
  305   1HB   ASP  41          2HB       ASP  41  -8.537  -3.641  -6.419
  306   2HB   ASP  41          1HB       ASP  41  -7.115  -3.713  -7.456
  307    H    LEU  42           H        LEU  42  -6.875  -5.751  -4.857
  308    HA   LEU  42           HA       LEU  42  -4.192  -5.681  -5.540
  309   1HB   LEU  42          1HB       LEU  42  -5.539  -7.047  -3.206
  310   2HB   LEU  42          2HB       LEU  42  -3.809  -6.825  -3.338
  311    HG   LEU  42           HG       LEU  42  -5.829  -4.995  -2.359
  312   1HD1  LEU  42          1HD2      LEU  42  -2.861  -4.612  -2.358
  313   2HD1  LEU  42          2HD2      LEU  42  -3.645  -5.817  -1.336
  314   3HD1  LEU  42          3HD2      LEU  42  -4.048  -4.110  -1.153
  315   1HD2  LEU  42          1HD1      LEU  42  -3.886  -3.803  -4.328
  316   2HD2  LEU  42          2HD1      LEU  42  -5.064  -2.945  -3.336
  317   3HD2  LEU  42          3HD1      LEU  42  -5.611  -4.014  -4.627
  318    H    GLY  43           H        GLY  43  -6.256  -8.524  -4.975
  319   1HA   GLY  43          1HA       GLY  43  -4.264 -10.444  -5.586
  320   2HA   GLY  43          2HA       GLY  43  -6.000 -10.725  -5.585
  321    H    ALA  44           H        ALA  44  -6.244  -8.431  -7.568
  322    HA   ALA  44           HA       ALA  44  -6.317  -9.987  -9.914
  323   1HB   ALA  44          1HB       ALA  44  -7.257  -8.173 -10.915
  324   2HB   ALA  44          2HB       ALA  44  -6.145  -7.035 -10.152
  325   3HB   ALA  44          3HB       ALA  44  -7.491  -7.705  -9.231
  326    H    LEU  45           H        LEU  45  -3.838  -8.042  -8.459
  327    HA   LEU  45           HA       LEU  45  -2.209  -7.593 -10.697
  328   1HB   LEU  45          2HB       LEU  45  -1.622  -7.825  -7.755
  329   2HB   LEU  45          1HB       LEU  45  -0.371  -7.459  -8.929
  330    HG   LEU  45           HG       LEU  45  -1.484  -5.406  -9.549
  331   1HD1  LEU  45          1HD2      LEU  45  -3.499  -4.644  -8.362
  332   2HD1  LEU  45          2HD2      LEU  45  -3.624  -6.228  -7.599
  333   3HD1  LEU  45          3HD2      LEU  45  -3.790  -6.075  -9.347
  334   1HD2  LEU  45          1HD1      LEU  45  -1.659  -4.475  -7.038
  335   2HD2  LEU  45          2HD1      LEU  45  -0.128  -4.781  -7.857
  336   3HD2  LEU  45          3HD1      LEU  45  -0.789  -5.980  -6.746
  337    H    LYS  46           H        LYS  46  -2.940 -10.493  -9.064
  338    HA   LYS  46           HA       LYS  46  -2.288 -12.639  -9.454
  339   1HB   LYS  46          2HB       LYS  46  -0.140 -11.858 -11.367
  340   2HB   LYS  46          1HB       LYS  46  -1.260 -13.212 -11.434
  341   1HG   LYS  46          1HG       LYS  46  -2.917 -11.046 -11.662
  342   2HG   LYS  46          2HG       LYS  46  -1.484 -10.540 -12.557
  343   1HD   LYS  46          2HD       LYS  46  -1.897 -11.969 -14.234
  344   2HD   LYS  46          1HD       LYS  46  -2.278 -13.288 -13.125
  345   1HE   LYS  46          1HE       LYS  46  -4.278 -11.136 -13.256
  346   2HE   LYS  46          2HE       LYS  46  -4.085 -12.072 -14.738
  347   1HZ   LYS  46          1HZ       LYS  46  -5.293 -13.670 -13.829
  348   2HZ   LYS  46          2HZ       LYS  46  -5.443 -12.789 -12.393
  349   3HZ   LYS  46          3HZ       LYS  46  -4.151 -13.860 -12.596
  350    H    ILE  47           H        ILE  47  -0.814 -10.569  -7.742
  351    HA   ILE  47           HA       ILE  47   1.831 -11.730  -7.500
  352    HB   ILE  47           HB       ILE  47   0.621  -9.775  -5.565
  353   1HG1  ILE  47          2HG1      ILE  47   2.032  -9.063  -8.146
  354   2HG1  ILE  47          1HG1      ILE  47   0.288  -8.978  -7.920
  355   1HG2  ILE  47          1HG2      ILE  47   2.708 -10.639  -4.846
  356   2HG2  ILE  47          2HG2      ILE  47   3.021  -9.021  -5.475
  357   3HG2  ILE  47          3HG2      ILE  47   3.419 -10.438  -6.447
  358   1HD1  ILE  47          1HD1      ILE  47   0.559  -7.293  -6.214
  359   2HD1  ILE  47          2HD1      ILE  47   1.385  -6.799  -7.692
  360   3HD1  ILE  47          3HD1      ILE  47   2.313  -7.425  -6.329
  361    HA   PRO  48           HA       PRO  48   0.934 -15.019  -4.674
  362   1HB   PRO  48          1HB       PRO  48   3.293 -13.894  -3.220
  363   2HB   PRO  48          2HB       PRO  48   2.937 -15.570  -3.655
  364   1HG   PRO  48          2HG       PRO  48   4.699 -14.141  -5.056
  365   2HG   PRO  48          1HG       PRO  48   3.599 -15.276  -5.858
  366   1HD   PRO  48          2HD       PRO  48   3.547 -12.308  -5.804
  367   2HD   PRO  48          1HD       PRO  48   2.974 -13.426  -7.057
  368    H    GLU  49           H        GLU  49  -0.498 -15.079  -3.064
  369    HA   GLU  49           HA       GLU  49  -1.295 -12.740  -1.681
  370   1HB   GLU  49          2HB       GLU  49  -2.807 -14.639  -2.229
  371   2HB   GLU  49          1HB       GLU  49  -1.966 -15.617  -1.034
  372   1HG   GLU  49          1HG       GLU  49  -2.879 -14.497   0.736
  373   2HG   GLU  49          2HG       GLU  49  -3.113 -13.010  -0.185
  374    H    GLN  50           H        GLN  50   1.079 -12.415  -0.963
  375    HA   GLN  50           HA       GLN  50   1.816 -13.907   1.411
  376   1HB   GLN  50          1HB       GLN  50   3.169 -11.450   0.296
  377   2HB   GLN  50          2HB       GLN  50   3.854 -12.652   1.383
  378   1HG   GLN  50          1HG       GLN  50   2.924 -13.387  -1.368
  379   2HG   GLN  50          2HG       GLN  50   4.528 -12.716  -1.084
  380   1HE2  GLN  50          2HE2      GLN  50   5.651 -14.513  -1.651
  381   2HE2  GLN  50          1HE2      GLN  50   5.633 -15.973  -0.732
  382    H    TYR  51           H        TYR  51   1.061 -10.517   0.618
  383    HA   TYR  51           HA       TYR  51  -0.063 -10.202   3.301
  384   1HB   TYR  51          1HB       TYR  51   1.603  -7.968   2.207
  385   2HB   TYR  51          2HB       TYR  51   1.195  -8.340   3.879
  386    HD1  TYR  51           HD1      TYR  51   3.552  -8.876   1.179
  387    HD2  TYR  51           HD2      TYR  51   2.398 -10.162   5.066
  388    HE1  TYR  51           HE1      TYR  51   5.734  -9.974   1.456
  389    HE2  TYR  51           HE2      TYR  51   4.578 -11.264   5.355
  390    HH   TYR  51           HH       TYR  51   6.688 -11.858   2.819
  391    H    ARG  52           H        ARG  52  -1.102 -10.442   0.519
  392    HA   ARG  52           HA       ARG  52  -1.952  -8.107  -0.624
  393   1HB   ARG  52          2HB       ARG  52  -2.498 -10.807  -0.917
  394   2HB   ARG  52          1HB       ARG  52  -4.061 -10.123  -0.510
  395   1HG   ARG  52          2HG       ARG  52  -3.539 -10.299  -2.956
  396   2HG   ARG  52          1HG       ARG  52  -4.048  -8.708  -2.394
  397   1HD   ARG  52          2HD       ARG  52  -2.037  -8.879  -4.003
  398   2HD   ARG  52          1HD       ARG  52  -1.923  -7.810  -2.607
  399    HE   ARG  52           HE       ARG  52  -0.909 -10.331  -1.908
  400   1HH1  ARG  52          2HH1      ARG  52  -0.146  -7.599  -3.926
  401   2HH1  ARG  52          1HH1      ARG  52   1.566  -7.849  -3.839
  402   1HH2  ARG  52          1HH2      ARG  52   1.342 -10.671  -1.785
  403   2HH2  ARG  52          2HH2      ARG  52   2.413  -9.596  -2.621
  404    H    MET  53           H        MET  53  -3.552  -9.896   2.002
  405    HA   MET  53           HA       MET  53  -5.768  -8.232   2.303
  406   1HB   MET  53          2HB       MET  53  -4.343  -9.684   4.538
  407   2HB   MET  53          1HB       MET  53  -6.034  -9.206   4.493
  408   1HG   MET  53          2HG       MET  53  -6.273 -10.732   2.491
  409   2HG   MET  53          1HG       MET  53  -4.671 -11.348   2.896
  410   1HE   MET  53          1HE       MET  53  -4.500 -13.570   4.392
  411   2HE   MET  53          2HE       MET  53  -5.082 -13.352   6.043
  412   3HE   MET  53          3HE       MET  53  -4.063 -12.120   5.297
  413    H    THR  54           H        THR  54  -2.732  -8.182   4.187
  414    HA   THR  54           HA       THR  54  -3.217  -5.966   5.745
  415    HB   THR  54           HB       THR  54  -0.616  -6.880   4.504
  416    HG1  THR  54           HG1      THR  54  -0.534  -8.203   6.132
  417   1HG2  THR  54          1HG2      THR  54  -1.033  -4.928   6.752
  418   2HG2  THR  54          2HG2      THR  54  -0.288  -4.601   5.187
  419   3HG2  THR  54          3HG2      THR  54   0.506  -5.682   6.334
  420    H    ILE  55           H        ILE  55  -1.921  -6.067   2.450
  421    HA   ILE  55           HA       ILE  55  -1.369  -3.356   2.130
  422    HB   ILE  55           HB       ILE  55  -2.333  -5.300   0.034
  423   1HG1  ILE  55          2HG1      ILE  55   0.525  -4.509   0.347
  424   2HG1  ILE  55          1HG1      ILE  55  -0.140  -5.655   1.509
  425   1HG2  ILE  55          1HG2      ILE  55  -2.536  -2.969  -0.684
  426   2HG2  ILE  55          2HG2      ILE  55  -1.268  -3.811  -1.577
  427   3HG2  ILE  55          3HG2      ILE  55  -0.840  -2.697  -0.278
  428   1HD1  ILE  55          1HD1      ILE  55  -0.905  -6.471  -1.103
  429   2HD1  ILE  55          2HD1      ILE  55   0.131  -7.296   0.061
  430   3HD1  ILE  55          3HD1      ILE  55   0.829  -6.153  -1.088
  431    H    TRP  56           H        TRP  56  -4.324  -5.121   1.169
  432    HA   TRP  56           HA       TRP  56  -5.815  -2.968   0.286
  433   1HB   TRP  56          1HB       TRP  56  -6.703  -5.097  -0.138
  434   2HB   TRP  56          2HB       TRP  56  -6.543  -5.602   1.539
  435    HD1  TRP  56           HD1      TRP  56  -8.434  -2.496   0.191
  436    HE1  TRP  56           HE1      TRP  56 -10.883  -2.669   0.987
  437    HE3  TRP  56           HE3      TRP  56  -8.230  -7.056   2.478
  438    HZ2  TRP  56           HZ2      TRP  56 -12.495  -4.477   2.383
  439    HZ3  TRP  56           HZ3      TRP  56 -10.278  -7.943   3.525
  440    HH2  TRP  56           HH2      TRP  56 -12.369  -6.678   3.479
  441    H    ARG  57           H        ARG  57  -5.678  -4.328   3.576
  442    HA   ARG  57           HA       ARG  57  -7.452  -2.676   4.863
  443   1HB   ARG  57          1HB       ARG  57  -4.806  -3.478   6.068
  444   2HB   ARG  57          2HB       ARG  57  -6.326  -3.190   6.904
  445   1HG   ARG  57          1HG       ARG  57  -6.815  -5.225   5.020
  446   2HG   ARG  57          2HG       ARG  57  -5.296  -5.621   5.825
  447   1HD   ARG  57          2HD       ARG  57  -6.291  -5.695   7.932
  448   2HD   ARG  57          1HD       ARG  57  -7.700  -4.778   7.401
  449    HE   ARG  57           HE       ARG  57  -7.292  -7.618   7.181
  450   1HH1  ARG  57          2HH2      ARG  57  -8.998  -4.853   5.928
  451   2HH1  ARG  57          1HH2      ARG  57 -10.316  -5.787   5.300
  452   1HH2  ARG  57          2HH1      ARG  57  -9.022  -8.859   6.358
  453   2HH2  ARG  57          1HH1      ARG  57 -10.329  -8.065   5.544
  454    H    GLY  58           H        GLY  58  -3.976  -2.077   4.431
  455   1HA   GLY  58          2HA       GLY  58  -3.857   0.437   5.630
  456   2HA   GLY  58          1HA       GLY  58  -2.776  -0.121   4.361
  457    H    LEU  59           H        LEU  59  -4.690  -0.457   2.315
  458    HA   LEU  59           HA       LEU  59  -4.838   2.185   1.311
  459   1HB   LEU  59          1HB       LEU  59  -5.438  -0.500   0.380
  460   2HB   LEU  59          2HB       LEU  59  -6.634   0.655  -0.174
  461    HG   LEU  59           HG       LEU  59  -4.874   2.013  -1.197
  462   1HD1  LEU  59          1HD2      LEU  59  -3.180   0.361   0.450
  463   2HD1  LEU  59          2HD2      LEU  59  -2.812   1.870  -0.387
  464   3HD1  LEU  59          3HD2      LEU  59  -2.657   0.332  -1.235
  465   1HD2  LEU  59          1HD1      LEU  59  -5.232   0.782  -3.005
  466   2HD2  LEU  59          2HD1      LEU  59  -5.665  -0.599  -1.996
  467   3HD2  LEU  59          3HD1      LEU  59  -3.987  -0.349  -2.476
  468    H    GLN  60           H        GLN  60  -7.032   0.165   3.097
  469    HA   GLN  60           HA       GLN  60  -9.376   1.731   2.570
  470   1HB   GLN  60          2HB       GLN  60  -8.697  -0.431   4.550
  471   2HB   GLN  60          1HB       GLN  60 -10.218   0.446   4.650
  472   1HG   GLN  60          1HG       GLN  60 -10.691  -0.243   2.305
  473   2HG   GLN  60          2HG       GLN  60  -9.245  -1.250   2.366
  474   1HE2  GLN  60          1HE2      GLN  60  -9.177  -2.929   3.999
  475   2HE2  GLN  60          2HE2      GLN  60 -10.648  -3.691   4.490
  476    H    ASP  61           H        ASP  61  -6.758   1.809   4.841
  477    HA   ASP  61           HA       ASP  61  -7.967   3.443   6.813
  478   1HB   ASP  61          2HB       ASP  61  -5.701   2.050   6.789
  479   2HB   ASP  61          1HB       ASP  61  -5.031   3.603   6.298
  480    H    LEU  62           H        LEU  62  -6.526   4.077   3.729
  481    HA   LEU  62           HA       LEU  62  -6.123   6.888   4.172
  482   1HB   LEU  62          1HB       LEU  62  -6.183   5.298   1.604
  483   2HB   LEU  62          2HB       LEU  62  -5.639   6.957   1.759
  484    HG   LEU  62           HG       LEU  62  -4.315   4.792   3.353
  485   1HD1  LEU  62          1HD2      LEU  62  -3.537   5.560   0.547
  486   2HD1  LEU  62          2HD2      LEU  62  -4.397   4.079   0.967
  487   3HD1  LEU  62          3HD2      LEU  62  -2.767   4.357   1.582
  488   1HD2  LEU  62          1HD1      LEU  62  -2.577   6.291   3.573
  489   2HD2  LEU  62          2HD1      LEU  62  -3.982   7.358   3.586
  490   3HD2  LEU  62          3HD1      LEU  62  -3.021   7.182   2.117
  491    H    LYS  63           H        LYS  63  -8.468   4.923   2.372
  492    HA   LYS  63           HA       LYS  63  -9.998   7.061   1.379
  493   1HB   LYS  63          2HB       LYS  63 -10.144   4.770   0.496
  494   2HB   LYS  63          1HB       LYS  63 -10.869   4.232   2.005
  495   1HG   LYS  63          2HG       LYS  63 -12.473   4.603   0.126
  496   2HG   LYS  63          1HG       LYS  63 -12.841   5.491   1.607
  497   1HD   LYS  63          1HD       LYS  63 -13.125   6.874  -0.411
  498   2HD   LYS  63          2HD       LYS  63 -11.885   7.511   0.670
  499   1HE   LYS  63          1HE       LYS  63 -10.264   7.243  -0.848
  500   2HE   LYS  63          2HE       LYS  63 -10.841   5.640  -1.306
  501   1HZ   LYS  63          1HZ       LYS  63 -12.721   7.096  -2.420
  502   2HZ   LYS  63          2HZ       LYS  63 -11.271   6.747  -3.218
  503   3HZ   LYS  63          3HZ       LYS  63 -11.479   8.244  -2.459
  504    H    GLN  64           H        GLN  64 -10.314   5.132   4.335
  505    HA   GLN  64           HA       GLN  64 -12.732   6.298   5.210
  506   1HB   GLN  64          1HB       GLN  64 -12.294   5.255   7.327
  507   2HB   GLN  64          2HB       GLN  64 -11.771   4.153   6.061
  508   1HG   GLN  64          2HG       GLN  64  -9.447   4.950   6.402
  509   2HG   GLN  64          1HG       GLN  64 -10.023   5.910   7.765
  510   1HE2  GLN  64          2HE2      GLN  64  -8.921   4.871   9.350
  511   2HE2  GLN  64          1HE2      GLN  64  -9.203   3.227   9.800
  512    H    GLY  65           H        GLY  65  -9.336   7.094   5.833
  513   1HA   GLY  65          2HA       GLY  65 -10.082   9.818   6.449
  514   2HA   GLY  65          1HA       GLY  65  -9.459   8.922   7.826
  515    H    HIS  66           H        HIS  66  -8.162  11.164   7.027
  516    HA   HIS  66           HA       HIS  66  -5.779  10.150   5.623
  517   1HB   HIS  66          1HB       HIS  66  -7.256  12.670   5.449
  518   2HB   HIS  66          2HB       HIS  66  -5.527  12.905   5.684
  519    HD1  HIS  66           HD1      HIS  66  -6.884  13.705   3.042
  520    HD2  HIS  66           HD2      HIS  66  -5.053  10.035   3.711
  521    HE1  HIS  66           HE1      HIS  66  -6.276  12.831   0.763
  522    HE2  HIS  66           HE2      HIS  66  -5.169  10.609   1.191
  523    H    ASP  67           H        ASP  67  -3.698  10.996   6.369
  524    HA   ASP  67           HA       ASP  67  -3.250  12.414   8.698
  525   1HB   ASP  67          2HB       ASP  67  -2.626  10.415  10.209
  526   2HB   ASP  67          1HB       ASP  67  -4.328  10.844  10.064
  527    H    TYR  68           HN       TYR  68  -1.165  12.928   8.739
  528    HA   TYR  68           HA       TYR  68   1.019  13.028   8.098
  529   1HB   TYR  68          1HB       TYR  68   1.303  11.379   9.791
  530   2HB   TYR  68          2HB       TYR  68   0.652  10.111   8.761
  531    HD1  TYR  68           HD1      TYR  68   2.049   8.960   7.188
  532    HD2  TYR  68           HD2      TYR  68   3.582  12.253   9.404
  533    HE1  TYR  68           HE1      TYR  68   4.328   8.367   6.482
  534    HE2  TYR  68           HE2      TYR  68   5.866  11.668   8.704
  535    HH   TYR  68           HH       TYR  68   6.997   9.302   7.907
  Start of MODEL   17
    1   1H    TYR   1          1H        TYR   1  11.550  16.263 -10.967
    2   2H    TYR   1          2H        TYR   1  11.848  17.610  -9.947
    3   3H    TYR   1          3H        TYR   1  11.053  17.832 -11.451
    4    HA   TYR   1           HA       TYR   1   9.355  17.917  -9.977
    5   1HB   TYR   1          2HB       TYR   1   9.734  15.535 -11.558
    6   2HB   TYR   1          1HB       TYR   1   8.767  15.162 -10.135
    7    HD1  TYR   1           HD1      TYR   1   6.833  16.922  -9.653
    8    HD2  TYR   1           HD2      TYR   1   8.637  16.270 -13.451
    9    HE1  TYR   1           HE1      TYR   1   4.845  17.864 -10.752
   10    HE2  TYR   1           HE2      TYR   1   6.655  17.210 -14.560
   11    HH   TYR   1           HH       TYR   1   4.449  19.055 -13.132
   12    H    HIS   2           H        HIS   2   8.708  17.814  -7.906
   13    HA   HIS   2           HA       HIS   2  10.422  16.873  -5.900
   14   1HB   HIS   2          2HB       HIS   2   7.679  17.996  -6.006
   15   2HB   HIS   2          1HB       HIS   2   8.089  17.078  -4.560
   16    HD1  HIS   2           HD1      HIS   2   9.438  20.012  -6.561
   17    HD2  HIS   2           HD2      HIS   2   9.445  18.504  -2.689
   18    HE1  HIS   2           HE1      HIS   2  10.583  21.760  -5.161
   19    HE2  HIS   2           HE2      HIS   2  10.576  20.827  -2.821
   20    H    ALA   3           H        ALA   3  10.519  15.031  -4.724
   21    HA   ALA   3           HA       ALA   3   9.324  12.675  -5.807
   22   1HB   ALA   3          1HB       ALA   3  10.365  11.843  -3.450
   23   2HB   ALA   3          2HB       ALA   3  11.298  13.313  -3.728
   24   3HB   ALA   3          3HB       ALA   3  11.293  12.029  -4.938
   25    H    ASP   4           H        ASP   4   8.166  11.079  -4.407
   26    HA   ASP   4           HA       ASP   4   6.399  12.373  -2.451
   27   1HB   ASP   4          2HB       ASP   4   5.338  10.359  -4.420
   28   2HB   ASP   4          1HB       ASP   4   4.440  11.490  -3.411
   29    HA   PRO   5           HA       PRO   5   8.434   8.356  -0.989
   30   1HB   PRO   5          2HB       PRO   5   8.589  10.054   1.443
   31   2HB   PRO   5          1HB       PRO   5   9.797   8.969   0.748
   32   1HG   PRO   5          2HG       PRO   5  10.044  11.615   0.522
   33   2HG   PRO   5          1HG       PRO   5  10.499  10.535  -0.810
   34   1HD   PRO   5          2HD       PRO   5   8.064  12.240  -0.493
   35   2HD   PRO   5          1HD       PRO   5   9.007  11.878  -1.954
   36    H    SER   6           H        SER   6   5.910  10.493   0.071
   37    HA   SER   6           HA       SER   6   4.808   9.225   2.228
   38   1HB   SER   6          2HB       SER   6   3.915  11.104   0.253
   39   2HB   SER   6          1HB       SER   6   2.622   9.949   0.575
   40    HG   SER   6           HG       SER   6   3.158  10.410   2.885
   41    H    LEU   7           H        LEU   7   4.458   8.334  -1.174
   42    HA   LEU   7           HA       LEU   7   2.574   6.248  -0.656
   43   1HB   LEU   7          1HB       LEU   7   2.539   7.267  -2.810
   44   2HB   LEU   7          2HB       LEU   7   4.246   6.958  -3.058
   45    HG   LEU   7           HG       LEU   7   2.554   5.495  -4.320
   46   1HD1  LEU   7          1HD1      LEU   7   4.186   3.967  -4.583
   47   2HD1  LEU   7          2HD1      LEU   7   4.351   3.686  -2.850
   48   3HD1  LEU   7          3HD1      LEU   7   5.114   5.092  -3.592
   49   1HD2  LEU   7          1HD2      LEU   7   1.636   3.617  -3.171
   50   2HD2  LEU   7          2HD2      LEU   7   1.139   5.074  -2.312
   51   3HD2  LEU   7          3HD2      LEU   7   2.441   4.072  -1.670
   52    H    VAL   8           H        VAL   8   5.903   6.047  -1.939
   53    HA   VAL   8           HA       VAL   8   6.240   3.324  -1.625
   54    HB   VAL   8           HB       VAL   8   8.733   3.895  -1.387
   55   1HG1  VAL   8          1HG2      VAL   8   8.876   4.577  -3.755
   56   2HG1  VAL   8          2HG2      VAL   8   7.141   4.892  -3.747
   57   3HG1  VAL   8          3HG2      VAL   8   7.741   3.252  -3.496
   58   1HG2  VAL   8          1HG1      VAL   8   9.418   6.015  -1.209
   59   2HG2  VAL   8          2HG1      VAL   8   7.761   6.374  -0.722
   60   3HG2  VAL   8          3HG1      VAL   8   8.251   6.585  -2.402
   61    H    SER   9           H        SER   9   6.604   5.881   0.760
   62    HA   SER   9           HA       SER   9   7.935   4.390   2.738
   63   1HB   SER   9          2HB       SER   9   7.963   6.689   3.104
   64   2HB   SER   9          1HB       SER   9   6.236   6.862   2.792
   65    HG   SER   9           HG       SER   9   7.389   5.571   5.042
   66    H    PHE  10           H        PHE  10   4.551   4.657   1.883
   67    HA   PHE  10           HA       PHE  10   3.716   3.151   4.225
   68   1HB   PHE  10          2HB       PHE  10   2.478   5.021   2.518
   69   2HB   PHE  10          1HB       PHE  10   1.636   3.497   2.254
   70    HD1  PHE  10           HD1      PHE  10   0.916   6.275   3.700
   71    HD2  PHE  10           HD2      PHE  10   1.836   2.322   4.976
   72    HE1  PHE  10           HE1      PHE  10  -0.385   6.642   5.757
   73    HE2  PHE  10           HE2      PHE  10   0.539   2.680   7.036
   74    HZ   PHE  10           HZ       PHE  10  -0.574   4.842   7.428
   75    H    LEU  11           H        LEU  11   3.676   2.770   0.693
   76    HA   LEU  11           HA       LEU  11   2.498   0.315   0.440
   77   1HB   LEU  11          2HB       LEU  11   3.678   1.980  -1.278
   78   2HB   LEU  11          1HB       LEU  11   4.959   0.787  -1.155
   79    HG   LEU  11           HG       LEU  11   2.235  -0.261  -1.669
   80   1HD1  LEU  11          1HD2      LEU  11   3.801   1.287  -3.726
   81   2HD1  LEU  11          2HD2      LEU  11   2.187   1.658  -3.117
   82   3HD1  LEU  11          3HD2      LEU  11   2.452   0.210  -4.089
   83   1HD2  LEU  11          1HD1      LEU  11   4.079  -1.276  -3.474
   84   2HD2  LEU  11          2HD1      LEU  11   3.536  -2.035  -1.978
   85   3HD2  LEU  11          3HD1      LEU  11   4.997  -1.047  -1.985
   86    H    THR  12           H        THR  12   5.968   0.900   0.921
   87    HA   THR  12           HA       THR  12   6.561  -1.878   1.259
   88    HB   THR  12           HB       THR  12   8.235   0.541   1.966
   89    HG1  THR  12           HG1      THR  12   8.385   0.749  -0.102
   90   1HG2  THR  12          1HG2      THR  12   9.746  -0.870   2.729
   91   2HG2  THR  12          2HG2      THR  12   9.846  -1.576   1.116
   92   3HG2  THR  12          3HG2      THR  12   8.735  -2.251   2.306
   93    H    GLY  13           H        GLY  13   6.333   0.906   3.464
   94   1HA   GLY  13          2HA       GLY  13   7.015  -0.337   5.847
   95   2HA   GLY  13          1HA       GLY  13   5.879   0.999   5.716
   96    H    LEU  14           H        LEU  14   4.071  -0.560   4.008
   97    HA   LEU  14           HA       LEU  14   2.343  -1.579   5.949
   98   1HB   LEU  14          2HB       LEU  14   2.201  -0.955   3.288
   99   2HB   LEU  14          1HB       LEU  14   2.104  -2.701   3.236
  100    HG   LEU  14           HG       LEU  14   0.086  -2.736   4.454
  101   1HD1  LEU  14          1HD2      LEU  14   0.006  -1.354   6.217
  102   2HD1  LEU  14          2HD2      LEU  14  -0.707  -0.205   5.086
  103   3HD1  LEU  14          3HD2      LEU  14   1.020  -0.143   5.434
  104   1HD2  LEU  14          1HD1      LEU  14  -0.325  -0.258   2.844
  105   2HD2  LEU  14          2HD1      LEU  14  -1.346  -1.689   2.985
  106   3HD2  LEU  14          3HD1      LEU  14   0.147  -1.758   2.046
  107    H    GLY  15           H        GLY  15   5.089  -2.993   4.473
  108   1HA   GLY  15          1HA       GLY  15   5.938  -5.015   5.580
  109   2HA   GLY  15          2HA       GLY  15   4.291  -5.628   5.539
  110    H    CYS  16           H        CYS  16   5.350  -3.879   2.774
  111    HA   CYS  16           HA       CYS  16   5.885  -6.403   1.353
  112   1HB   CYS  16          2HB       CYS  16   4.208  -4.059   0.438
  113   2HB   CYS  16          1HB       CYS  16   4.748  -5.346  -0.634
  114    HG   CYS  16           HG       CYS  16   2.662  -5.713   1.634
  115    HA   PRO  17           HA       PRO  17   9.294  -3.418   0.473
  116   1HB   PRO  17          2HB       PRO  17  11.266  -5.155   1.462
  117   2HB   PRO  17          1HB       PRO  17  10.605  -3.740   2.281
  118   1HG   PRO  17          1HG       PRO  17  10.289  -6.447   3.032
  119   2HG   PRO  17          2HG       PRO  17   9.473  -5.041   3.732
  120   1HD   PRO  17          2HD       PRO  17   8.470  -7.021   1.777
  121   2HD   PRO  17          1HD       PRO  17   7.578  -6.017   2.935
  122    H    ASN  18           H        ASN  18   8.342  -6.433  -0.607
  123    HA   ASN  18           HA       ASN  18  10.322  -6.333  -2.768
  124   1HB   ASN  18          1HB       ASN  18  10.375  -8.850  -2.744
  125   2HB   ASN  18          2HB       ASN  18  11.136  -8.085  -1.351
  126   1HD2  ASN  18          1HD2      ASN  18   9.837 -10.753  -1.826
  127   2HD2  ASN  18          2HD2      ASN  18   8.710 -10.919  -0.526
  128    H    CYS  19           H        CYS  19   7.269  -5.829  -2.212
  129    HA   CYS  19           HA       CYS  19   6.329  -7.354  -4.547
  130   1HB   CYS  19          1HB       CYS  19   5.070  -6.751  -1.940
  131   2HB   CYS  19          2HB       CYS  19   4.020  -6.615  -3.346
  132    HG   CYS  19           HG       CYS  19   3.737  -9.029  -2.904
  133    H    ILE  20           H        ILE  20   6.827  -4.233  -3.200
  134    HA   ILE  20           HA       ILE  20   4.967  -2.662  -4.489
  135    HB   ILE  20           HB       ILE  20   6.599  -1.766  -2.883
  136   1HG1  ILE  20          2HG1      ILE  20   6.745  -0.416  -5.592
  137   2HG1  ILE  20          1HG1      ILE  20   5.421  -0.245  -4.444
  138   1HG2  ILE  20          1HG2      ILE  20   8.494  -3.120  -3.977
  139   2HG2  ILE  20          2HG2      ILE  20   8.871  -1.519  -3.337
  140   3HG2  ILE  20          3HG2      ILE  20   8.645  -1.745  -5.072
  141   1HD1  ILE  20          1HD1      ILE  20   6.847   0.866  -2.878
  142   2HD1  ILE  20          2HD1      ILE  20   7.001   1.653  -4.449
  143   3HD1  ILE  20          3HD1      ILE  20   8.263   0.557  -3.883
  144    H    GLU  21           H        GLU  21   7.716  -4.321  -5.800
  145    HA   GLU  21           HA       GLU  21   7.886  -2.895  -8.259
  146   1HB   GLU  21          2HB       GLU  21   8.696  -5.733  -7.641
  147   2HB   GLU  21          1HB       GLU  21   9.245  -4.780  -9.008
  148   1HG   GLU  21          1HG       GLU  21   9.734  -3.491  -6.445
  149   2HG   GLU  21          2HG       GLU  21  10.537  -5.052  -6.606
  150    H    TYR  22           H        TYR  22   6.250  -5.828  -7.204
  151    HA   TYR  22           HA       TYR  22   5.173  -6.482  -9.758
  152   1HB   TYR  22          1HB       TYR  22   3.965  -7.302  -7.123
  153   2HB   TYR  22          2HB       TYR  22   3.956  -8.177  -8.651
  154    HD1  TYR  22           HD1      TYR  22   7.062  -7.449  -9.021
  155    HD2  TYR  22           HD2      TYR  22   4.745  -9.373  -6.013
  156    HE1  TYR  22           HE1      TYR  22   9.045  -8.718  -8.313
  157    HE2  TYR  22           HE2      TYR  22   6.723 -10.647  -5.299
  158    HH   TYR  22           HH       TYR  22   9.664  -9.919  -5.806
  159    H    PHE  23           H        PHE  23   4.294  -4.315  -7.216
  160    HA   PHE  23           HA       PHE  23   1.607  -3.928  -8.267
  161   1HB   PHE  23          1HB       PHE  23   2.962  -3.394  -5.749
  162   2HB   PHE  23          2HB       PHE  23   2.049  -1.998  -6.311
  163    HD1  PHE  23           HD1      PHE  23  -0.369  -2.705  -7.289
  164    HD2  PHE  23           HD2      PHE  23   1.859  -4.822  -4.344
  165    HE1  PHE  23           HE1      PHE  23  -2.447  -3.726  -6.457
  166    HE2  PHE  23           HE2      PHE  23  -0.216  -5.846  -3.507
  167    HZ   PHE  23           HZ       PHE  23  -2.371  -5.299  -4.563
  168    H    THR  24           H        THR  24   4.741  -2.333  -8.205
  169    HA   THR  24           HA       THR  24   3.788   0.172  -9.169
  170    HB   THR  24           HB       THR  24   6.031  -0.322  -8.024
  171    HG1  THR  24           HG1      THR  24   5.823   1.709  -8.680
  172   1HG2  THR  24          1HG2      THR  24   7.796  -1.159  -9.109
  173   2HG2  THR  24          2HG2      THR  24   7.303  -0.480 -10.660
  174   3HG2  THR  24          3HG2      THR  24   6.564  -1.970 -10.076
  175    H    SER  25           H        SER  25   4.040  -2.835 -10.657
  176    HA   SER  25           HA       SER  25   4.792  -2.050 -13.266
  177   1HB   SER  25          2HB       SER  25   4.608  -4.432 -12.099
  178   2HB   SER  25          1HB       SER  25   3.015  -4.413 -12.859
  179    HG   SER  25           HG       SER  25   5.108  -5.178 -14.030
  180    H    GLN  26           H        GLN  26   1.827  -1.707 -11.536
  181    HA   GLN  26           HA       GLN  26   0.462  -1.158 -14.080
  182   1HB   GLN  26          2HB       GLN  26  -1.641  -1.273 -12.427
  183   2HB   GLN  26          1HB       GLN  26  -1.026  -2.656 -13.312
  184   1HG   GLN  26          2HG       GLN  26  -0.460  -2.026 -10.426
  185   2HG   GLN  26          1HG       GLN  26  -1.558  -3.235 -11.035
  186   1HE2  GLN  26          2HE2      GLN  26  -0.382  -4.685 -12.718
  187   2HE2  GLN  26          1HE2      GLN  26   1.059  -5.366 -12.090
  188    H    GLY  27           H        GLY  27   1.554   0.214 -11.131
  189   1HA   GLY  27          1HA       GLY  27   1.759   2.718 -11.510
  190   2HA   GLY  27          2HA       GLY  27   0.020   2.667 -11.737
  191    H    LEU  28           H        LEU  28   2.192   1.212  -9.312
  192    HA   LEU  28           HA       LEU  28   0.504   2.440  -7.249
  193   1HB   LEU  28          1HB       LEU  28   1.547  -0.202  -7.577
  194   2HB   LEU  28          2HB       LEU  28   2.194   0.487  -6.103
  195    HG   LEU  28           HG       LEU  28   0.077  -0.820  -5.822
  196   1HD1  LEU  28          1HD2      LEU  28  -1.072   1.295  -4.644
  197   2HD1  LEU  28          2HD2      LEU  28   0.534   1.964  -4.931
  198   3HD1  LEU  28          3HD2      LEU  28   0.349   0.485  -3.987
  199   1HD2  LEU  28          1HD1      LEU  28  -1.775   1.190  -6.543
  200   2HD2  LEU  28          2HD1      LEU  28  -1.635  -0.449  -7.179
  201   3HD2  LEU  28          3HD1      LEU  28  -0.761   0.874  -7.950
  202    H    GLN  29           H        GLN  29   2.521   3.943  -8.526
  203    HA   GLN  29           HA       GLN  29   4.646   4.127  -6.510
  204   1HB   GLN  29          1HB       GLN  29   5.803   5.574  -8.091
  205   2HB   GLN  29          2HB       GLN  29   5.340   4.071  -8.878
  206   1HG   GLN  29          1HG       GLN  29   3.451   5.180  -9.927
  207   2HG   GLN  29          2HG       GLN  29   3.865   6.685  -9.109
  208   1HE2  GLN  29          2HE2      GLN  29   5.333   8.006  -9.996
  209   2HE2  GLN  29          1HE2      GLN  29   6.223   7.664 -11.437
  210    H    SER  30           H        SER  30   1.890   5.764  -7.839
  211    HA   SER  30           HA       SER  30   2.256   7.965  -5.919
  212   1HB   SER  30          2HB       SER  30   0.298   8.178  -8.164
  213   2HB   SER  30          1HB       SER  30   1.238   9.443  -7.375
  214    HG   SER  30           HG       SER  30   2.104   9.113  -9.394
  215    H    ILE  31           H        ILE  31   1.132   7.516  -4.133
  216    HA   ILE  31           HA       ILE  31  -0.780   5.642  -3.742
  217    HB   ILE  31           HB       ILE  31   0.307   7.072  -1.979
  218   1HG1  ILE  31          1HG1      ILE  31  -2.347   7.152  -0.955
  219   2HG1  ILE  31          2HG1      ILE  31  -2.236   5.767  -2.038
  220   1HG2  ILE  31          1HG2      ILE  31  -0.239   9.261  -2.818
  221   2HG2  ILE  31          2HG2      ILE  31  -0.971   9.048  -1.227
  222   3HG2  ILE  31          3HG2      ILE  31  -1.964   8.919  -2.681
  223   1HD1  ILE  31          1HD1      ILE  31  -0.061   5.246  -0.731
  224   2HD1  ILE  31          2HD1      ILE  31  -1.628   4.862  -0.019
  225   3HD1  ILE  31          3HD1      ILE  31  -0.759   6.309   0.491
  226    H    TYR  32           H        TYR  32  -1.246   8.736  -5.264
  227    HA   TYR  32           HA       TYR  32  -4.031   8.952  -5.031
  228   1HB   TYR  32          1HB       TYR  32  -2.021  10.427  -6.241
  229   2HB   TYR  32          2HB       TYR  32  -3.007   9.885  -7.597
  230    HD1  TYR  32           HD1      TYR  32  -3.668  11.127  -4.131
  231    HD2  TYR  32           HD2      TYR  32  -4.573  11.422  -8.276
  232    HE1  TYR  32           HE1      TYR  32  -5.310  12.891  -3.640
  233    HE2  TYR  32           HE2      TYR  32  -6.219  13.188  -7.798
  234    HH   TYR  32           HH       TYR  32  -7.476  13.777  -4.855
  235    H    HIS  33           H        HIS  33  -2.075   6.795  -6.864
  236    HA   HIS  33           HA       HIS  33  -4.169   6.157  -8.766
  237   1HB   HIS  33          2HB       HIS  33  -1.802   6.067  -9.452
  238   2HB   HIS  33          1HB       HIS  33  -1.509   4.803  -8.262
  239    HD1  HIS  33           HD1      HIS  33  -3.047   2.555  -8.684
  240    HD2  HIS  33           HD2      HIS  33  -2.451   5.113 -11.905
  241    HE1  HIS  33           HE1      HIS  33  -3.579   1.195 -10.731
  242    HE2  HIS  33           HE2      HIS  33  -3.211   2.762 -12.670
  243    H    LEU  34           H        LEU  34  -3.207   5.164  -5.625
  244    HA   LEU  34           HA       LEU  34  -4.831   2.724  -5.865
  245   1HB   LEU  34          1HB       LEU  34  -3.634   2.265  -3.572
  246   2HB   LEU  34          2HB       LEU  34  -2.856   1.911  -5.098
  247    HG   LEU  34           HG       LEU  34  -2.385   4.552  -3.758
  248   1HD1  LEU  34          1HD1      LEU  34  -0.231   3.115  -2.996
  249   2HD1  LEU  34          2HD1      LEU  34  -1.500   1.901  -2.839
  250   3HD1  LEU  34          3HD1      LEU  34  -1.625   3.429  -1.965
  251   1HD2  LEU  34          1HD2      LEU  34  -0.068   3.843  -4.880
  252   2HD2  LEU  34          2HD2      LEU  34  -1.347   4.668  -5.769
  253   3HD2  LEU  34          3HD2      LEU  34  -1.166   2.921  -5.907
  254    H    GLN  35           H        GLN  35  -5.462   5.698  -5.191
  255    HA   GLN  35           HA       GLN  35  -6.372   5.812  -2.539
  256   1HB   GLN  35          1HB       GLN  35  -6.074   7.749  -4.142
  257   2HB   GLN  35          2HB       GLN  35  -7.594   7.269  -4.884
  258   1HG   GLN  35          2HG       GLN  35  -8.601   8.589  -3.424
  259   2HG   GLN  35          1HG       GLN  35  -8.180   7.406  -2.186
  260   1HE2  GLN  35          2HE2      GLN  35  -5.739   7.675  -1.527
  261   2HE2  GLN  35          1HE2      GLN  35  -5.299   9.289  -1.097
  262    H    ASN  36           H        ASN  36  -7.665   4.269  -5.338
  263    HA   ASN  36           HA       ASN  36 -10.094   3.598  -3.816
  264   1HB   ASN  36          1HB       ASN  36  -9.774   4.427  -6.672
  265   2HB   ASN  36          2HB       ASN  36 -11.054   3.291  -6.256
  266   1HD2  ASN  36          2HD2      ASN  36 -10.130   6.513  -6.410
  267   2HD2  ASN  36          1HD2      ASN  36 -11.470   7.201  -5.568
  268    H    LEU  37           H        LEU  37  -7.358   2.274  -4.379
  269    HA   LEU  37           HA       LEU  37  -8.143  -0.126  -5.799
  270   1HB   LEU  37          2HB       LEU  37  -5.685   1.158  -5.107
  271   2HB   LEU  37          1HB       LEU  37  -5.658  -0.474  -4.470
  272    HG   LEU  37           HG       LEU  37  -6.593  -0.348  -7.235
  273   1HD1  LEU  37          1HD2      LEU  37  -4.248   0.018  -8.098
  274   2HD1  LEU  37          2HD2      LEU  37  -3.867   0.696  -6.515
  275   3HD1  LEU  37          3HD2      LEU  37  -5.096   1.455  -7.528
  276   1HD2  LEU  37          1HD1      LEU  37  -4.402  -1.862  -5.819
  277   2HD2  LEU  37          2HD1      LEU  37  -4.937  -2.154  -7.473
  278   3HD2  LEU  37          3HD1      LEU  37  -6.042  -2.429  -6.128
  279    H    THR  38           H        THR  38  -8.517  -2.107  -4.910
  280    HA   THR  38           HA       THR  38  -8.497  -2.293  -1.969
  281    HB   THR  38           HB       THR  38 -10.550  -3.884  -3.347
  282    HG1  THR  38           HG1      THR  38 -11.731  -2.282  -4.099
  283   1HG2  THR  38          1HG2      THR  38 -10.722  -3.866  -1.035
  284   2HG2  THR  38          2HG2      THR  38 -11.975  -2.745  -1.570
  285   3HG2  THR  38          3HG2      THR  38 -10.451  -2.126  -0.931
  286    H    ILE  39           H        ILE  39  -9.037  -4.759  -1.430
  287    HA   ILE  39           HA       ILE  39  -6.835  -6.292  -2.258
  288    HB   ILE  39           HB       ILE  39  -8.104  -6.730  -0.179
  289   1HG1  ILE  39          1HG1      ILE  39  -8.295  -9.312  -0.643
  290   2HG1  ILE  39          2HG1      ILE  39  -7.597  -8.882  -2.202
  291   1HG2  ILE  39          1HG2      ILE  39 -10.243  -7.584  -0.115
  292   2HG2  ILE  39          2HG2      ILE  39 -10.165  -8.186  -1.771
  293   3HG2  ILE  39          3HG2      ILE  39 -10.341  -6.457  -1.467
  294   1HD1  ILE  39          1HD1      ILE  39  -6.146  -7.673  -0.020
  295   2HD1  ILE  39          2HD1      ILE  39  -5.570  -8.700  -1.332
  296   3HD1  ILE  39          3HD1      ILE  39  -6.227  -9.428   0.134
  297    H    GLU  40           H        GLU  40 -10.095  -5.942  -3.408
  298    HA   GLU  40           HA       GLU  40 -10.344  -8.078  -5.143
  299   1HB   GLU  40          1HB       GLU  40 -11.294  -5.238  -5.567
  300   2HB   GLU  40          2HB       GLU  40 -11.887  -6.648  -6.431
  301   1HG   GLU  40          2HG       GLU  40 -12.027  -6.649  -3.465
  302   2HG   GLU  40          1HG       GLU  40 -13.168  -5.650  -4.364
  303    H    ASP  41           H        ASP  41  -8.789  -4.949  -5.643
  304    HA   ASP  41           HA       ASP  41  -7.945  -5.645  -8.323
  305   1HB   ASP  41          2HB       ASP  41  -7.839  -3.228  -6.601
  306   2HB   ASP  41          1HB       ASP  41  -6.567  -3.392  -7.809
  307    H    LEU  42           H        LEU  42  -6.639  -5.642  -5.096
  308    HA   LEU  42           HA       LEU  42  -3.893  -5.872  -5.796
  309   1HB   LEU  42          2HB       LEU  42  -5.288  -6.851  -3.304
  310   2HB   LEU  42          1HB       LEU  42  -3.565  -6.628  -3.499
  311    HG   LEU  42           HG       LEU  42  -5.610  -4.716  -2.715
  312   1HD1  LEU  42          1HD2      LEU  42  -2.774  -5.284  -2.315
  313   2HD1  LEU  42          2HD2      LEU  42  -3.991  -4.686  -1.187
  314   3HD1  LEU  42          3HD2      LEU  42  -3.185  -3.570  -2.290
  315   1HD2  LEU  42          1HD1      LEU  42  -5.476  -3.804  -4.911
  316   2HD2  LEU  42          2HD1      LEU  42  -3.717  -3.936  -4.930
  317   3HD2  LEU  42          3HD1      LEU  42  -4.507  -2.777  -3.858
  318    H    GLY  43           H        GLY  43  -6.537  -8.121  -5.297
  319   1HA   GLY  43          1HA       GLY  43  -4.866 -10.459  -5.590
  320   2HA   GLY  43          2HA       GLY  43  -6.619 -10.434  -5.483
  321    H    ALA  44           H        ALA  44  -5.726  -8.193  -7.776
  322    HA   ALA  44           HA       ALA  44  -6.488  -9.974  -9.940
  323   1HB   ALA  44          1HB       ALA  44  -5.836  -7.030 -10.041
  324   2HB   ALA  44          2HB       ALA  44  -7.449  -7.690  -9.771
  325   3HB   ALA  44          3HB       ALA  44  -6.619  -7.987 -11.299
  326    H    LEU  45           H        LEU  45  -3.768  -7.996  -8.865
  327    HA   LEU  45           HA       LEU  45  -2.033  -8.505 -10.995
  328   1HB   LEU  45          2HB       LEU  45  -1.735  -7.739  -8.116
  329   2HB   LEU  45          1HB       LEU  45  -0.313  -8.028  -9.094
  330    HG   LEU  45           HG       LEU  45  -2.211  -5.739  -9.165
  331   1HD1  LEU  45          1HD1      LEU  45   0.146  -6.005  -8.202
  332   2HD1  LEU  45          2HD1      LEU  45  -0.345  -4.522  -9.018
  333   3HD1  LEU  45          3HD1      LEU  45   0.634  -5.718  -9.871
  334   1HD2  LEU  45          1HD2      LEU  45  -0.730  -6.587 -11.619
  335   2HD2  LEU  45          2HD2      LEU  45  -1.699  -5.130 -11.394
  336   3HD2  LEU  45          3HD2      LEU  45  -2.478  -6.705 -11.399
  337    H    LYS  46           H        LYS  46  -3.166 -10.622  -8.598
  338    HA   LYS  46           HA       LYS  46  -2.752 -12.834  -8.244
  339   1HB   LYS  46          2HB       LYS  46  -0.463 -12.798 -10.180
  340   2HB   LYS  46          1HB       LYS  46  -1.568 -14.112  -9.799
  341   1HG   LYS  46          1HG       LYS  46  -3.382 -12.756 -10.887
  342   2HG   LYS  46          2HG       LYS  46  -2.114 -11.670 -11.454
  343   1HD   LYS  46          1HD       LYS  46  -2.418 -13.131 -13.244
  344   2HD   LYS  46          2HD       LYS  46  -1.004 -13.779 -12.409
  345   1HE   LYS  46          1HE       LYS  46  -2.243 -15.530 -11.445
  346   2HE   LYS  46          2HE       LYS  46  -3.782 -14.762 -11.832
  347   1HZ   LYS  46          1HZ       LYS  46  -1.997 -15.475 -14.041
  348   2HZ   LYS  46          2HZ       LYS  46  -3.688 -15.441 -13.989
  349   3HZ   LYS  46          3HZ       LYS  46  -2.845 -16.720 -13.271
  350    H    ILE  47           H        ILE  47  -1.132 -10.440  -7.203
  351    HA   ILE  47           HA       ILE  47   1.438 -11.320  -6.482
  352    HB   ILE  47           HB       ILE  47  -0.299  -9.482  -4.837
  353   1HG1  ILE  47          1HG1      ILE  47  -0.363  -8.665  -7.108
  354   2HG1  ILE  47          2HG1      ILE  47   0.738  -7.646  -6.186
  355   1HG2  ILE  47          1HG2      ILE  47   2.685  -9.468  -5.209
  356   2HG2  ILE  47          2HG2      ILE  47   1.871 -10.309  -3.889
  357   3HG2  ILE  47          3HG2      ILE  47   1.736  -8.556  -4.035
  358   1HD1  ILE  47          1HD1      ILE  47   1.494  -9.834  -8.104
  359   2HD1  ILE  47          2HD1      ILE  47   2.632  -8.918  -7.116
  360   3HD1  ILE  47          3HD1      ILE  47   1.672  -8.096  -8.348
  361    HA   PRO  48           HA       PRO  48   0.982 -14.675  -3.651
  362   1HB   PRO  48          1HB       PRO  48   2.590 -13.330  -1.661
  363   2HB   PRO  48          2HB       PRO  48   3.015 -14.707  -2.676
  364   1HG   PRO  48          2HG       PRO  48   3.640 -11.861  -3.036
  365   2HG   PRO  48          1HG       PRO  48   4.409 -13.282  -3.763
  366   1HD   PRO  48          2HD       PRO  48   2.877 -11.576  -5.192
  367   2HD   PRO  48          1HD       PRO  48   2.948 -13.313  -5.552
  368    H    GLU  49           H        GLU  49  -0.091 -15.210  -1.731
  369    HA   GLU  49           HA       GLU  49  -1.891 -13.130  -0.769
  370   1HB   GLU  49          1HB       GLU  49  -2.773 -15.333  -1.515
  371   2HB   GLU  49          2HB       GLU  49  -1.897 -16.099  -0.196
  372   1HG   GLU  49          1HG       GLU  49  -3.327 -15.318   1.399
  373   2HG   GLU  49          2HG       GLU  49  -3.772 -13.893   0.459
  374    H    GLN  50           H        GLN  50   0.998 -13.383   0.063
  375    HA   GLN  50           HA       GLN  50   0.836 -14.092   2.866
  376   1HB   GLN  50          1HB       GLN  50   3.140 -12.796   1.407
  377   2HB   GLN  50          2HB       GLN  50   3.197 -13.648   2.944
  378   1HG   GLN  50          2HG       GLN  50   3.037 -15.720   1.959
  379   2HG   GLN  50          1HG       GLN  50   2.267 -15.086   0.506
  380   1HE2  GLN  50          2HE2      GLN  50   4.692 -16.779   1.042
  381   2HE2  GLN  50          1HE2      GLN  50   5.949 -16.017   0.137
  382    H    TYR  51           H        TYR  51   0.909 -11.202   0.888
  383    HA   TYR  51           HA       TYR  51   0.340  -9.621   3.294
  384   1HB   TYR  51          1HB       TYR  51   2.097  -8.568   1.084
  385   2HB   TYR  51          2HB       TYR  51   1.846  -7.894   2.691
  386    HD1  TYR  51           HD1      TYR  51   2.297 -10.062   4.507
  387    HD2  TYR  51           HD2      TYR  51   4.305  -9.197   0.857
  388    HE1  TYR  51           HE1      TYR  51   4.284 -11.261   5.322
  389    HE2  TYR  51           HE2      TYR  51   6.298 -10.392   1.663
  390    HH   TYR  51           HH       TYR  51   6.728 -12.294   3.401
  391    H    ARG  52           H        ARG  52  -1.044 -10.709   0.675
  392    HA   ARG  52           HA       ARG  52  -1.875  -8.583  -0.896
  393   1HB   ARG  52          2HB       ARG  52  -2.453 -11.265  -0.738
  394   2HB   ARG  52          1HB       ARG  52  -3.984 -10.533  -0.285
  395   1HG   ARG  52          1HG       ARG  52  -3.859  -9.167  -2.374
  396   2HG   ARG  52          2HG       ARG  52  -2.449 -10.124  -2.838
  397   1HD   ARG  52          2HD       ARG  52  -4.411 -11.965  -2.066
  398   2HD   ARG  52          1HD       ARG  52  -5.242 -10.765  -3.055
  399    HE   ARG  52           HE       ARG  52  -2.832 -11.576  -4.298
  400   1HH1  ARG  52          2HH1      ARG  52  -6.068 -12.663  -3.614
  401   2HH1  ARG  52          1HH1      ARG  52  -6.146 -13.714  -4.989
  402   1HH2  ARG  52          1HH2      ARG  52  -2.921 -12.955  -6.113
  403   2HH2  ARG  52          2HH2      ARG  52  -4.355 -13.880  -6.411
  404    H    MET  53           H        MET  53  -3.869 -10.049   1.670
  405    HA   MET  53           HA       MET  53  -5.734  -8.014   1.859
  406   1HB   MET  53          2HB       MET  53  -4.860 -10.249   3.570
  407   2HB   MET  53          1HB       MET  53  -5.644  -8.930   4.429
  408   1HG   MET  53          1HG       MET  53  -7.664  -9.333   3.492
  409   2HG   MET  53          2HG       MET  53  -6.972  -9.902   1.975
  410   1HE   MET  53          1HE       MET  53  -5.081 -12.789   3.341
  411   2HE   MET  53          2HE       MET  53  -5.461 -11.826   1.915
  412   3HE   MET  53          3HE       MET  53  -6.272 -13.369   2.178
  413    H    THR  54           H        THR  54  -2.653  -8.380   3.567
  414    HA   THR  54           HA       THR  54  -2.836  -6.296   5.369
  415    HB   THR  54           HB       THR  54  -0.433  -7.259   3.806
  416    HG1  THR  54           HG1      THR  54  -1.298  -7.807   6.451
  417   1HG2  THR  54          1HG2      THR  54  -0.353  -5.705   6.371
  418   2HG2  THR  54          2HG2      THR  54  -0.108  -4.974   4.785
  419   3HG2  THR  54          3HG2      THR  54   1.001  -6.218   5.364
  420    H    ILE  55           H        ILE  55  -1.644  -6.169   2.018
  421    HA   ILE  55           HA       ILE  55  -1.072  -3.449   1.918
  422    HB   ILE  55           HB       ILE  55  -2.089  -5.166  -0.343
  423   1HG1  ILE  55          1HG1      ILE  55   0.777  -4.546  -0.181
  424   2HG1  ILE  55          2HG1      ILE  55   0.195  -5.543   1.149
  425   1HG2  ILE  55          1HG2      ILE  55  -2.213  -2.766  -0.809
  426   2HG2  ILE  55          2HG2      ILE  55  -0.982  -3.554  -1.796
  427   3HG2  ILE  55          3HG2      ILE  55  -0.508  -2.598  -0.391
  428   1HD1  ILE  55          1HD1      ILE  55  -0.923  -6.860  -0.878
  429   2HD1  ILE  55          2HD1      ILE  55   0.709  -7.190  -0.298
  430   3HD1  ILE  55          3HD1      ILE  55   0.468  -6.174  -1.717
  431    H    TRP  56           H        TRP  56  -4.037  -5.086   0.783
  432    HA   TRP  56           HA       TRP  56  -5.539  -2.878   0.126
  433   1HB   TRP  56          1HB       TRP  56  -6.453  -4.961  -0.434
  434   2HB   TRP  56          2HB       TRP  56  -6.248  -5.598   1.192
  435    HD1  TRP  56           HD1      TRP  56  -8.212  -2.445   0.043
  436    HE1  TRP  56           HE1      TRP  56 -10.623  -2.673   0.928
  437    HE3  TRP  56           HE3      TRP  56  -7.866  -7.063   2.200
  438    HZ2  TRP  56           HZ2      TRP  56 -12.159  -4.533   2.337
  439    HZ3  TRP  56           HZ3      TRP  56  -9.861  -8.000   3.301
  440    HH2  TRP  56           HH2      TRP  56 -11.966  -6.760   3.369
  441    H    ARG  57           H        ARG  57  -5.499  -4.519   3.295
  442    HA   ARG  57           HA       ARG  57  -7.192  -2.840   4.682
  443   1HB   ARG  57          1HB       ARG  57  -4.685  -4.043   5.861
  444   2HB   ARG  57          2HB       ARG  57  -6.177  -3.643   6.702
  445   1HG   ARG  57          1HG       ARG  57  -6.713  -5.465   4.551
  446   2HG   ARG  57          2HG       ARG  57  -5.443  -6.102   5.598
  447   1HD   ARG  57          2HD       ARG  57  -6.842  -5.892   7.531
  448   2HD   ARG  57          1HD       ARG  57  -8.074  -5.038   6.605
  449    HE   ARG  57           HE       ARG  57  -7.732  -7.491   5.378
  450   1HH1  ARG  57          2HH2      ARG  57  -8.733  -6.300   8.493
  451   2HH1  ARG  57          1HH2      ARG  57  -9.783  -7.640   8.811
  452   1HH2  ARG  57          1HH1      ARG  57  -9.111  -9.260   5.787
  453   2HH2  ARG  57          2HH1      ARG  57  -9.998  -9.322   7.273
  454    H    GLY  58           H        GLY  58  -3.854  -2.340   3.770
  455   1HA   GLY  58          1HA       GLY  58  -3.506  -0.010   5.437
  456   2HA   GLY  58          2HA       GLY  58  -2.397  -0.588   4.200
  457    H    LEU  59           H        LEU  59  -4.669  -0.690   2.249
  458    HA   LEU  59           HA       LEU  59  -4.405   2.026   1.311
  459   1HB   LEU  59          1HB       LEU  59  -4.865  -0.502   0.143
  460   2HB   LEU  59          2HB       LEU  59  -6.288   0.462  -0.203
  461    HG   LEU  59           HG       LEU  59  -4.847   2.203  -1.199
  462   1HD1  LEU  59          1HD2      LEU  59  -2.797   0.732   0.111
  463   2HD1  LEU  59          2HD2      LEU  59  -2.674   2.253  -0.773
  464   3HD1  LEU  59          3HD2      LEU  59  -2.476   0.720  -1.623
  465   1HD2  LEU  59          1HD1      LEU  59  -5.289  -0.466  -2.208
  466   2HD2  LEU  59          2HD1      LEU  59  -3.852   0.266  -2.922
  467   3HD2  LEU  59          3HD1      LEU  59  -5.409   1.088  -3.035
  468    H    GLN  60           H        GLN  60  -6.964  -0.069   2.554
  469    HA   GLN  60           HA       GLN  60  -9.104   1.736   2.142
  470   1HB   GLN  60          2HB       GLN  60 -10.339   0.369   3.734
  471   2HB   GLN  60          1HB       GLN  60  -9.439  -0.660   2.629
  472   1HG   GLN  60          2HG       GLN  60  -7.716  -0.977   4.338
  473   2HG   GLN  60          1HG       GLN  60  -8.642   0.033   5.447
  474   1HE2  GLN  60          1HE2      GLN  60  -9.391  -2.652   3.244
  475   2HE2  GLN  60          2HE2      GLN  60 -10.236  -3.600   4.415
  476    H    ASP  61           H        ASP  61  -6.600   1.495   4.528
  477    HA   ASP  61           HA       ASP  61  -7.684   2.964   6.633
  478   1HB   ASP  61          2HB       ASP  61  -5.237   1.837   6.089
  479   2HB   ASP  61          1HB       ASP  61  -4.863   3.557   6.048
  480    H    LEU  62           H        LEU  62  -6.219   3.993   3.605
  481    HA   LEU  62           HA       LEU  62  -6.046   6.749   4.137
  482   1HB   LEU  62          1HB       LEU  62  -6.533   5.343   1.507
  483   2HB   LEU  62          2HB       LEU  62  -6.030   7.013   1.684
  484    HG   LEU  62           HG       LEU  62  -4.336   4.863   2.881
  485   1HD1  LEU  62          1HD2      LEU  62  -5.073   4.676   0.249
  486   2HD1  LEU  62          2HD2      LEU  62  -3.587   4.033   0.948
  487   3HD1  LEU  62          3HD2      LEU  62  -3.582   5.613   0.165
  488   1HD2  LEU  62          1HD1      LEU  62  -4.183   7.679   2.398
  489   2HD2  LEU  62          2HD1      LEU  62  -2.865   6.856   1.562
  490   3HD2  LEU  62          3HD1      LEU  62  -3.080   6.638   3.300
  491    H    LYS  63           H        LYS  63  -8.611   4.793   2.685
  492    HA   LYS  63           HA       LYS  63 -10.416   7.087   2.676
  493   1HB   LYS  63          2HB       LYS  63 -10.110   5.175   0.831
  494   2HB   LYS  63          1HB       LYS  63 -11.328   4.385   1.823
  495   1HG   LYS  63          2HG       LYS  63 -12.408   5.570   0.041
  496   2HG   LYS  63          1HG       LYS  63 -12.772   6.373   1.570
  497   1HD   LYS  63          2HD       LYS  63 -12.227   8.209   0.344
  498   2HD   LYS  63          1HD       LYS  63 -10.609   7.770   0.895
  499   1HE   LYS  63          1HE       LYS  63  -9.923   7.375  -1.179
  500   2HE   LYS  63          2HE       LYS  63 -11.308   6.332  -1.502
  501   1HZ   LYS  63          1HZ       LYS  63 -11.243   8.232  -3.000
  502   2HZ   LYS  63          2HZ       LYS  63 -11.310   9.296  -1.687
  503   3HZ   LYS  63          3HZ       LYS  63 -12.622   8.283  -2.022
  504    H    GLN  64           H        GLN  64  -9.605   6.120   5.201
  505    HA   GLN  64           HA       GLN  64 -11.239   4.293   6.458
  506   1HB   GLN  64          1HB       GLN  64 -10.797   5.563   8.543
  507   2HB   GLN  64          2HB       GLN  64  -9.345   5.283   7.592
  508   1HG   GLN  64          2HG       GLN  64  -9.478   7.566   6.725
  509   2HG   GLN  64          1HG       GLN  64 -10.923   7.843   7.695
  510   1HE2  GLN  64          2HE2      GLN  64  -9.731   9.601   8.635
  511   2HE2  GLN  64          1HE2      GLN  64  -8.606   9.294   9.909
  512    H    GLY  65           H        GLY  65 -11.885   7.693   5.744
  513   1HA   GLY  65          2HA       GLY  65 -14.709   7.254   5.785
  514   2HA   GLY  65          1HA       GLY  65 -14.174   8.135   7.207
  515    H    HIS  66           H        HIS  66 -13.376  10.239   6.987
  516    HA   HIS  66           HA       HIS  66 -13.556  11.440   4.318
  517   1HB   HIS  66          2HB       HIS  66 -14.709  13.429   5.430
  518   2HB   HIS  66          1HB       HIS  66 -15.686  11.984   5.193
  519    HD1  HIS  66           HD1      HIS  66 -13.627  13.578   7.968
  520    HD2  HIS  66           HD2      HIS  66 -16.985  11.189   7.429
  521    HE1  HIS  66           HE1      HIS  66 -14.602  13.259  10.265
  522    HE2  HIS  66           HE2      HIS  66 -16.632  11.809   9.916
  523    H    ASP  67           H        ASP  67 -11.894  12.752   3.879
  524    HA   ASP  67           HA       ASP  67 -10.446  14.026   6.054
  525   1HB   ASP  67          1HB       ASP  67  -9.500  11.795   4.745
  526   2HB   ASP  67          2HB       ASP  67  -8.630  13.150   4.040
  527    H    TYR  68           HN       TYR  68  -8.424  15.036   4.478
  528    HA   TYR  68           HA       TYR  68  -9.888  17.054   2.959
  529   1HB   TYR  68          1HB       TYR  68  -8.618  18.122   4.587
  530   2HB   TYR  68          2HB       TYR  68  -7.297  16.969   4.452
  531    HD1  TYR  68           HD1      TYR  68  -5.427  17.448   3.092
  532    HD2  TYR  68           HD2      TYR  68  -8.930  19.837   2.750
  533    HE1  TYR  68           HE1      TYR  68  -4.198  19.037   1.673
  534    HE2  TYR  68           HE2      TYR  68  -7.711  21.432   1.330
  535    HH   TYR  68           HH       TYR  68  -4.731  21.854   1.175
  Start of MODEL   18
    1   1H    TYR   1          1H        TYR   1   6.615  20.800 -10.863
    2   2H    TYR   1          2H        TYR   1   8.263  20.866 -10.388
    3   3H    TYR   1          3H        TYR   1   7.024  21.047  -9.214
    4    HA   TYR   1           HA       TYR   1   6.273  18.796  -9.757
    5   1HB   TYR   1          2HB       TYR   1   7.264  18.655 -11.976
    6   2HB   TYR   1          1HB       TYR   1   8.879  18.833 -11.299
    7    HD1  TYR   1           HD1      TYR   1   6.051  16.691 -10.157
    8    HD2  TYR   1           HD2      TYR   1   9.973  16.840 -11.799
    9    HE1  TYR   1           HE1      TYR   1   6.226  14.247  -9.945
   10    HE2  TYR   1           HE2      TYR   1  10.159  14.397 -11.591
   11    HH   TYR   1           HH       TYR   1   7.681  12.387 -11.234
   12    H    HIS   2           H        HIS   2   6.437  18.121  -7.722
   13    HA   HIS   2           HA       HIS   2   9.083  18.169  -6.430
   14   1HB   HIS   2          2HB       HIS   2   6.397  18.862  -5.502
   15   2HB   HIS   2          1HB       HIS   2   7.234  17.763  -4.411
   16    HD1  HIS   2           HD1      HIS   2   6.749  20.378  -3.203
   17    HD2  HIS   2           HD2      HIS   2  10.051  19.723  -5.639
   18    HE1  HIS   2           HE1      HIS   2   8.408  22.164  -2.582
   19    HE2  HIS   2           HE2      HIS   2  10.399  21.748  -4.069
   20    H    ALA   3           H        ALA   3   9.020  16.463  -4.488
   21    HA   ALA   3           HA       ALA   3   8.941  13.902  -5.766
   22   1HB   ALA   3          1HB       ALA   3   9.423  14.517  -2.855
   23   2HB   ALA   3          2HB       ALA   3  10.665  14.548  -4.106
   24   3HB   ALA   3          3HB       ALA   3   9.847  13.037  -3.714
   25    H    ASP   4           H        ASP   4   7.954  12.005  -4.470
   26    HA   ASP   4           HA       ASP   4   5.381  12.701  -3.278
   27   1HB   ASP   4          1HB       ASP   4   5.543  11.970  -5.946
   28   2HB   ASP   4          2HB       ASP   4   5.118  10.465  -5.139
   29    HA   PRO   5           HA       PRO   5   7.613   9.143  -1.227
   30   1HB   PRO   5          1HB       PRO   5   7.679  10.195   1.261
   31   2HB   PRO   5          2HB       PRO   5   8.918  10.545   0.051
   32   1HG   PRO   5          2HG       PRO   5   6.553  12.189   0.870
   33   2HG   PRO   5          1HG       PRO   5   8.222  12.706   0.568
   34   1HD   PRO   5          2HD       PRO   5   6.234  13.004  -1.258
   35   2HD   PRO   5          1HD       PRO   5   7.929  12.742  -1.715
   36    H    SER   6           H        SER   6   4.719  10.961  -0.633
   37    HA   SER   6           HA       SER   6   3.599   9.296   1.371
   38   1HB   SER   6          2HB       SER   6   2.682  11.478   1.163
   39   2HB   SER   6          1HB       SER   6   2.399  11.277  -0.567
   40    HG   SER   6           HG       SER   6   0.477  11.038   0.645
   41    H    LEU   7           H        LEU   7   4.375   7.296   0.109
   42    HA   LEU   7           HA       LEU   7   2.124   5.878  -0.771
   43   1HB   LEU   7          1HB       LEU   7   2.262   7.167  -2.796
   44   2HB   LEU   7          2HB       LEU   7   3.976   6.840  -2.948
   45    HG   LEU   7           HG       LEU   7   2.377   5.555  -4.480
   46   1HD1  LEU   7          1HD1      LEU   7   4.021   3.601  -2.981
   47   2HD1  LEU   7          2HD1      LEU   7   4.844   5.006  -3.659
   48   3HD1  LEU   7          3HD1      LEU   7   3.935   3.923  -4.713
   49   1HD2  LEU   7          1HD2      LEU   7   1.458   3.483  -3.498
   50   2HD2  LEU   7          2HD2      LEU   7   0.698   4.944  -2.866
   51   3HD2  LEU   7          3HD2      LEU   7   1.893   4.082  -1.896
   52    H    VAL   8           H        VAL   8   5.597   6.023  -1.579
   53    HA   VAL   8           HA       VAL   8   5.975   3.223  -1.498
   54    HB   VAL   8           HB       VAL   8   8.381   3.717  -1.463
   55   1HG1  VAL   8          1HG1      VAL   8   6.825   5.494  -3.340
   56   2HG1  VAL   8          2HG1      VAL   8   7.174   3.782  -3.585
   57   3HG1  VAL   8          3HG1      VAL   8   8.490   4.957  -3.567
   58   1HG2  VAL   8          1HG2      VAL   8   8.582   5.547   0.001
   59   2HG2  VAL   8          2HG2      VAL   8   7.426   6.513  -0.916
   60   3HG2  VAL   8          3HG2      VAL   8   9.022   6.177  -1.586
   61    H    SER   9           H        SER   9   6.329   5.764   0.914
   62    HA   SER   9           HA       SER   9   7.641   4.253   2.887
   63   1HB   SER   9          1HB       SER   9   6.473   6.003   4.444
   64   2HB   SER   9          2HB       SER   9   7.686   6.548   3.285
   65    HG   SER   9           HG       SER   9   6.065   7.881   2.857
   66    H    PHE  10           H        PHE  10   4.320   4.374   1.893
   67    HA   PHE  10           HA       PHE  10   3.446   2.930   4.277
   68   1HB   PHE  10          2HB       PHE  10   2.124   4.541   2.188
   69   2HB   PHE  10          1HB       PHE  10   1.215   3.133   2.726
   70    HD1  PHE  10           HD1      PHE  10   0.347   2.990   4.968
   71    HD2  PHE  10           HD2      PHE  10   2.596   6.373   3.701
   72    HE1  PHE  10           HE1      PHE  10  -0.420   4.236   6.946
   73    HE2  PHE  10           HE2      PHE  10   1.834   7.625   5.678
   74    HZ   PHE  10           HZ       PHE  10   0.323   6.557   7.303
   75    H    LEU  11           H        LEU  11   3.484   2.538   0.741
   76    HA   LEU  11           HA       LEU  11   2.302   0.071   0.509
   77   1HB   LEU  11          2HB       LEU  11   3.299   1.668  -1.284
   78   2HB   LEU  11          1HB       LEU  11   4.765   0.732  -1.067
   79    HG   LEU  11           HG       LEU  11   3.410  -0.016  -2.996
   80   1HD1  LEU  11          1HD1      LEU  11   3.759  -2.288  -2.644
   81   2HD1  LEU  11          2HD1      LEU  11   3.367  -2.183  -0.928
   82   3HD1  LEU  11          3HD1      LEU  11   4.889  -1.525  -1.527
   83   1HD2  LEU  11          1HD2      LEU  11   1.295  -1.085  -2.697
   84   2HD2  LEU  11          2HD2      LEU  11   1.207   0.508  -1.946
   85   3HD2  LEU  11          3HD2      LEU  11   1.403  -0.930  -0.943
   86    H    THR  12           H        THR  12   5.756   0.711   1.006
   87    HA   THR  12           HA       THR  12   6.351  -2.071   1.431
   88    HB   THR  12           HB       THR  12   8.009   0.419   1.874
   89    HG1  THR  12           HG1      THR  12   8.702   0.120  -0.116
   90   1HG2  THR  12          1HG2      THR  12   9.694  -1.748   1.425
   91   2HG2  THR  12          2HG2      THR  12   8.544  -2.290   2.648
   92   3HG2  THR  12          3HG2      THR  12   9.496  -0.831   2.918
   93    H    GLY  13           H        GLY  13   6.150   0.838   3.459
   94   1HA   GLY  13          2HA       GLY  13   6.883  -0.181   5.906
   95   2HA   GLY  13          1HA       GLY  13   5.665   1.068   5.695
   96    H    LEU  14           H        LEU  14   3.976  -0.826   4.112
   97    HA   LEU  14           HA       LEU  14   2.269  -1.707   6.115
   98   1HB   LEU  14          2HB       LEU  14   2.290  -1.639   3.352
   99   2HB   LEU  14          1HB       LEU  14   2.255  -3.351   3.699
  100    HG   LEU  14           HG       LEU  14   0.021  -2.989   3.605
  101   1HD1  LEU  14          1HD2      LEU  14  -0.877  -3.191   5.671
  102   2HD1  LEU  14          2HD2      LEU  14   0.009  -1.810   6.315
  103   3HD1  LEU  14          3HD2      LEU  14   0.820  -3.363   6.115
  104   1HD2  LEU  14          1HD1      LEU  14  -0.674  -0.956   3.100
  105   2HD2  LEU  14          2HD1      LEU  14   0.822  -0.263   3.724
  106   3HD2  LEU  14          3HD1      LEU  14  -0.553  -0.505   4.801
  107    H    GLY  15           H        GLY  15   5.183  -3.098   4.901
  108   1HA   GLY  15          1HA       GLY  15   6.231  -4.755   6.404
  109   2HA   GLY  15          2HA       GLY  15   4.660  -5.539   6.478
  110    H    CYS  16           H        CYS  16   5.524  -4.271   3.415
  111    HA   CYS  16           HA       CYS  16   6.463  -6.910   2.523
  112   1HB   CYS  16          2HB       CYS  16   5.129  -6.447   0.389
  113   2HB   CYS  16          1HB       CYS  16   4.209  -6.904   1.818
  114    HG   CYS  16           HG       CYS  16   3.616  -4.534   0.268
  115    HA   PRO  17           HA       PRO  17   9.308  -3.621   0.989
  116   1HB   PRO  17          2HB       PRO  17  11.612  -4.798   1.719
  117   2HB   PRO  17          1HB       PRO  17  10.627  -3.880   2.864
  118   1HG   PRO  17          2HG       PRO  17  10.817  -6.843   2.474
  119   2HG   PRO  17          1HG       PRO  17  10.753  -5.915   3.982
  120   1HD   PRO  17          2HD       PRO  17   8.589  -7.178   2.877
  121   2HD   PRO  17          1HD       PRO  17   8.471  -5.754   3.928
  122    H    ASN  18           H        ASN  18   8.424  -6.625  -0.009
  123    HA   ASN  18           HA       ASN  18  10.202  -6.471  -2.336
  124   1HB   ASN  18          1HB       ASN  18   9.747  -8.811  -0.531
  125   2HB   ASN  18          2HB       ASN  18   9.999  -9.104  -2.250
  126   1HD2  ASN  18          2HD2      ASN  18  11.571  -9.352   0.432
  127   2HD2  ASN  18          1HD2      ASN  18  13.149  -8.807  -0.013
  128    H    CYS  19           H        CYS  19   7.326  -5.784  -1.701
  129    HA   CYS  19           HA       CYS  19   6.059  -7.489  -3.739
  130   1HB   CYS  19          1HB       CYS  19   5.127  -7.404  -1.314
  131   2HB   CYS  19          2HB       CYS  19   4.506  -5.823  -1.778
  132    HG   CYS  19           HG       CYS  19   3.554  -8.512  -2.998
  133    H    ILE  20           H        ILE  20   6.785  -4.239  -2.745
  134    HA   ILE  20           HA       ILE  20   5.098  -2.723  -4.306
  135    HB   ILE  20           HB       ILE  20   6.668  -1.717  -2.741
  136   1HG1  ILE  20          1HG1      ILE  20   7.675  -0.485  -5.220
  137   2HG1  ILE  20          2HG1      ILE  20   5.927  -0.686  -5.171
  138   1HG2  ILE  20          1HG2      ILE  20   8.916  -2.082  -4.669
  139   2HG2  ILE  20          2HG2      ILE  20   8.516  -3.376  -3.539
  140   3HG2  ILE  20          3HG2      ILE  20   8.963  -1.781  -2.932
  141   1HD1  ILE  20          1HD1      ILE  20   7.663   0.867  -3.282
  142   2HD1  ILE  20          2HD1      ILE  20   5.978   0.474  -2.938
  143   3HD1  ILE  20          3HD1      ILE  20   6.384   1.466  -4.340
  144    H    GLU  21           H        GLU  21   8.173  -4.231  -5.251
  145    HA   GLU  21           HA       GLU  21   8.461  -3.239  -7.798
  146   1HB   GLU  21          1HB       GLU  21   9.596  -5.421  -8.323
  147   2HB   GLU  21          2HB       GLU  21  10.176  -4.615  -6.872
  148   1HG   GLU  21          2HG       GLU  21   8.225  -6.219  -5.864
  149   2HG   GLU  21          1HG       GLU  21   8.848  -7.199  -7.190
  150    H    TYR  22           H        TYR  22   6.493  -5.994  -6.750
  151    HA   TYR  22           HA       TYR  22   5.564  -6.650  -9.361
  152   1HB   TYR  22          1HB       TYR  22   4.344  -7.296  -6.666
  153   2HB   TYR  22          2HB       TYR  22   3.928  -8.065  -8.194
  154    HD1  TYR  22           HD1      TYR  22   6.611  -7.657  -5.686
  155    HD2  TYR  22           HD2      TYR  22   5.249  -9.829  -9.081
  156    HE1  TYR  22           HE1      TYR  22   8.376  -9.327  -5.318
  157    HE2  TYR  22           HE2      TYR  22   7.011 -11.507  -8.723
  158    HH   TYR  22           HH       TYR  22   8.870 -11.635  -5.855
  159    H    PHE  23           H        PHE  23   4.433  -4.569  -6.775
  160    HA   PHE  23           HA       PHE  23   1.883  -4.014  -7.914
  161   1HB   PHE  23          1HB       PHE  23   3.544  -2.853  -5.717
  162   2HB   PHE  23          2HB       PHE  23   2.196  -1.906  -6.336
  163    HD1  PHE  23           HD1      PHE  23   2.436  -5.582  -5.912
  164    HD2  PHE  23           HD2      PHE  23   0.645  -1.951  -4.606
  165    HE1  PHE  23           HE1      PHE  23   0.884  -6.863  -4.493
  166    HE2  PHE  23           HE2      PHE  23  -0.910  -3.223  -3.187
  167    HZ   PHE  23           HZ       PHE  23  -0.792  -5.682  -3.128
  168    H    THR  24           H        THR  24   4.952  -2.210  -7.828
  169    HA   THR  24           HA       THR  24   4.164   0.015  -9.285
  170    HB   THR  24           HB       THR  24   6.536   0.329  -9.807
  171    HG1  THR  24           HG1      THR  24   6.943  -1.927 -10.262
  172   1HG2  THR  24          1HG2      THR  24   6.911   0.973  -7.735
  173   2HG2  THR  24          2HG2      THR  24   7.123  -0.700  -7.222
  174   3HG2  THR  24          3HG2      THR  24   5.518   0.029  -7.209
  175    H    SER  25           H        SER  25   4.758  -3.215 -10.355
  176    HA   SER  25           HA       SER  25   5.472  -2.936 -12.986
  177   1HB   SER  25          2HB       SER  25   3.332  -4.910 -12.249
  178   2HB   SER  25          1HB       SER  25   4.714  -5.116 -13.325
  179    HG   SER  25           HG       SER  25   5.917  -5.651 -11.678
  180    H    GLN  26           H        GLN  26   2.374  -2.262 -11.523
  181    HA   GLN  26           HA       GLN  26   1.185  -1.786 -14.161
  182   1HB   GLN  26          1HB       GLN  26  -0.475  -1.346 -11.760
  183   2HB   GLN  26          2HB       GLN  26  -0.861  -2.181 -13.257
  184   1HG   GLN  26          2HG       GLN  26   0.803  -3.318 -11.022
  185   2HG   GLN  26          1HG       GLN  26  -0.904  -3.658 -11.301
  186   1HE2  GLN  26          2HE2      GLN  26   1.144  -5.587 -11.208
  187   2HE2  GLN  26          1HE2      GLN  26   1.247  -6.332 -12.763
  188    H    GLY  27           H        GLY  27   1.468  -0.181 -10.998
  189   1HA   GLY  27          1HA       GLY  27   2.416   2.249 -11.715
  190   2HA   GLY  27          2HA       GLY  27   0.709   2.375 -12.114
  191    H    LEU  28           H        LEU  28   2.405   0.805  -9.419
  192    HA   LEU  28           HA       LEU  28   0.599   2.183  -7.580
  193   1HB   LEU  28          1HB       LEU  28   1.835  -0.428  -7.671
  194   2HB   LEU  28          2HB       LEU  28   2.173   0.362  -6.144
  195    HG   LEU  28           HG       LEU  28   0.102  -1.133  -6.274
  196   1HD1  LEU  28          1HD2      LEU  28   0.445   1.505  -5.061
  197   2HD1  LEU  28          2HD2      LEU  28  -0.045  -0.026  -4.335
  198   3HD1  LEU  28          3HD2      LEU  28  -1.232   0.974  -5.171
  199   1HD2  LEU  28          1HD1      LEU  28  -1.870  -0.298  -7.249
  200   2HD2  LEU  28          2HD1      LEU  28  -0.619  -0.119  -8.479
  201   3HD2  LEU  28          3HD1      LEU  28  -1.146   1.282  -7.548
  202    H    GLN  29           H        GLN  29   2.627   3.737  -8.706
  203    HA   GLN  29           HA       GLN  29   4.586   4.058  -6.547
  204   1HB   GLN  29          2HB       GLN  29   5.782   5.542  -8.064
  205   2HB   GLN  29          1HB       GLN  29   5.461   4.004  -8.851
  206   1HG   GLN  29          1HG       GLN  29   3.327   5.300  -9.713
  207   2HG   GLN  29          2HG       GLN  29   4.361   6.697  -9.420
  208   1HE2  GLN  29          2HE2      GLN  29   6.798   5.897 -10.140
  209   2HE2  GLN  29          1HE2      GLN  29   6.843   5.451 -11.808
  210    H    SER  30           H        SER  30   1.801   5.488  -8.026
  211    HA   SER  30           HA       SER  30   1.983   7.781  -6.188
  212   1HB   SER  30          2HB       SER  30  -0.077   8.290  -8.015
  213   2HB   SER  30          1HB       SER  30   1.525   9.028  -8.002
  214    HG   SER  30           HG       SER  30   2.170   7.711  -9.568
  215    H    ILE  31           H        ILE  31   0.945   7.180  -4.376
  216    HA   ILE  31           HA       ILE  31  -0.924   5.258  -3.992
  217    HB   ILE  31           HB       ILE  31   0.171   6.715  -2.233
  218   1HG1  ILE  31          2HG1      ILE  31  -2.421   6.643  -1.100
  219   2HG1  ILE  31          1HG1      ILE  31  -2.332   5.309  -2.246
  220   1HG2  ILE  31          1HG2      ILE  31  -2.256   8.400  -2.171
  221   2HG2  ILE  31          2HG2      ILE  31  -1.042   8.786  -3.390
  222   3HG2  ILE  31          3HG2      ILE  31  -0.602   8.770  -1.682
  223   1HD1  ILE  31          1HD1      ILE  31  -1.675   4.576  -0.046
  224   2HD1  ILE  31          2HD1      ILE  31  -0.438   5.830   0.032
  225   3HD1  ILE  31          3HD1      ILE  31  -0.292   4.519  -1.139
  226    H    TYR  32           H        TYR  32  -1.455   8.390  -5.406
  227    HA   TYR  32           HA       TYR  32  -4.216   8.634  -5.186
  228   1HB   TYR  32          1HB       TYR  32  -2.583   9.412  -7.610
  229   2HB   TYR  32          2HB       TYR  32  -4.102  10.124  -7.077
  230    HD1  TYR  32           HD1      TYR  32  -0.944  11.040  -7.462
  231    HD2  TYR  32           HD2      TYR  32  -3.709  10.607  -4.258
  232    HE1  TYR  32           HE1      TYR  32   0.301  12.720  -6.166
  233    HE2  TYR  32           HE2      TYR  32  -2.473  12.285  -2.955
  234    HH   TYR  32           HH       TYR  32  -0.930  14.049  -3.216
  235    H    HIS  33           H        HIS  33  -2.306   6.443  -7.055
  236    HA   HIS  33           HA       HIS  33  -4.437   5.764  -8.890
  237   1HB   HIS  33          2HB       HIS  33  -1.597   5.104  -8.566
  238   2HB   HIS  33          1HB       HIS  33  -2.581   3.740  -9.087
  239    HD1  HIS  33           HD1      HIS  33  -1.606   3.705 -11.454
  240    HD2  HIS  33           HD2      HIS  33  -3.359   7.330 -10.427
  241    HE1  HIS  33           HE1      HIS  33  -1.779   5.001 -13.602
  242    HE2  HIS  33           HE2      HIS  33  -2.843   7.192 -12.958
  243    H    LEU  34           H        LEU  34  -3.386   4.796  -5.762
  244    HA   LEU  34           HA       LEU  34  -5.115   2.417  -5.887
  245   1HB   LEU  34          1HB       LEU  34  -3.772   1.864  -3.716
  246   2HB   LEU  34          2HB       LEU  34  -3.087   1.549  -5.296
  247    HG   LEU  34           HG       LEU  34  -2.501   4.137  -3.899
  248   1HD1  LEU  34          1HD1      LEU  34  -1.561   3.020  -2.213
  249   2HD1  LEU  34          2HD1      LEU  34  -0.325   2.549  -3.380
  250   3HD1  LEU  34          3HD1      LEU  34  -1.683   1.473  -3.052
  251   1HD2  LEU  34          1HD2      LEU  34  -1.496   4.366  -5.894
  252   2HD2  LEU  34          2HD2      LEU  34  -1.526   2.635  -6.222
  253   3HD2  LEU  34          3HD2      LEU  34  -0.261   3.316  -5.201
  254    H    GLN  35           H        GLN  35  -5.742   5.307  -5.306
  255    HA   GLN  35           HA       GLN  35  -6.293   5.679  -2.595
  256   1HB   GLN  35          1HB       GLN  35  -6.347   7.417  -4.437
  257   2HB   GLN  35          2HB       GLN  35  -7.928   6.783  -4.880
  258   1HG   GLN  35          2HG       GLN  35  -8.708   8.345  -3.501
  259   2HG   GLN  35          1HG       GLN  35  -8.258   7.216  -2.224
  260   1HE2  GLN  35          2HE2      GLN  35  -5.785   7.403  -1.718
  261   2HE2  GLN  35          1HE2      GLN  35  -5.238   9.015  -1.425
  262    H    ASN  36           H        ASN  36  -8.076   4.016  -5.087
  263    HA   ASN  36           HA       ASN  36 -10.222   3.446  -3.158
  264   1HB   ASN  36          2HB       ASN  36 -11.467   2.812  -5.358
  265   2HB   ASN  36          1HB       ASN  36 -11.249   4.502  -4.935
  266   1HD2  ASN  36          2HD2      ASN  36  -9.667   5.709  -5.957
  267   2HD2  ASN  36          1HD2      ASN  36  -9.091   5.281  -7.519
  268    H    LEU  37           H        LEU  37  -7.717   2.080  -5.016
  269    HA   LEU  37           HA       LEU  37  -8.475  -0.443  -5.655
  270   1HB   LEU  37          2HB       LEU  37  -6.015   0.872  -5.158
  271   2HB   LEU  37          1HB       LEU  37  -5.947  -0.672  -4.335
  272    HG   LEU  37           HG       LEU  37  -6.983  -0.944  -7.036
  273   1HD1  LEU  37          1HD2      LEU  37  -4.482   0.600  -6.603
  274   2HD1  LEU  37          2HD2      LEU  37  -5.678   0.717  -7.894
  275   3HD1  LEU  37          3HD2      LEU  37  -4.508  -0.602  -7.893
  276   1HD2  LEU  37          1HD1      LEU  37  -6.280  -2.883  -5.945
  277   2HD2  LEU  37          2HD1      LEU  37  -4.783  -2.138  -5.385
  278   3HD2  LEU  37          3HD1      LEU  37  -4.984  -2.542  -7.090
  279    H    THR  38           H        THR  38  -8.809  -2.387  -4.676
  280    HA   THR  38           HA       THR  38  -8.748  -2.448  -1.729
  281    HB   THR  38           HB       THR  38 -10.800  -4.140  -2.949
  282    HG1  THR  38           HG1      THR  38 -12.075  -2.589  -3.753
  283   1HG2  THR  38          1HG2      THR  38 -11.294  -3.945  -0.779
  284   2HG2  THR  38          2HG2      THR  38 -12.133  -2.486  -1.308
  285   3HG2  THR  38          3HG2      THR  38 -10.510  -2.372  -0.625
  286    H    ILE  39           H        ILE  39  -9.234  -4.878  -1.054
  287    HA   ILE  39           HA       ILE  39  -7.043  -6.446  -1.831
  288    HB   ILE  39           HB       ILE  39  -8.298  -6.777   0.277
  289   1HG1  ILE  39          1HG1      ILE  39  -8.326  -9.292   0.175
  290   2HG1  ILE  39          2HG1      ILE  39  -8.059  -9.166  -1.562
  291   1HG2  ILE  39          1HG2      ILE  39 -10.551  -6.494  -0.633
  292   2HG2  ILE  39          2HG2      ILE  39 -10.398  -7.994   0.282
  293   3HG2  ILE  39          3HG2      ILE  39 -10.395  -8.032  -1.482
  294   1HD1  ILE  39          1HD1      ILE  39  -6.155  -9.150   0.534
  295   2HD1  ILE  39          2HD1      ILE  39  -6.098  -7.585  -0.279
  296   3HD1  ILE  39          3HD1      ILE  39  -5.886  -9.069  -1.207
  297    H    GLU  40           H        GLU  40 -10.309  -6.158  -2.978
  298    HA   GLU  40           HA       GLU  40 -10.514  -8.405  -4.597
  299   1HB   GLU  40          1HB       GLU  40 -11.652  -5.663  -5.163
  300   2HB   GLU  40          2HB       GLU  40 -12.234  -7.188  -5.816
  301   1HG   GLU  40          1HG       GLU  40 -12.139  -7.093  -2.895
  302   2HG   GLU  40          2HG       GLU  40 -13.241  -5.928  -3.628
  303    H    ASP  41           H        ASP  41  -9.277  -5.171  -5.362
  304    HA   ASP  41           HA       ASP  41  -8.489  -5.946  -8.026
  305   1HB   ASP  41          2HB       ASP  41  -8.179  -3.444  -6.382
  306   2HB   ASP  41          1HB       ASP  41  -7.329  -3.632  -7.913
  307    H    LEU  42           H        LEU  42  -7.046  -5.791  -4.879
  308    HA   LEU  42           HA       LEU  42  -4.337  -5.667  -5.492
  309   1HB   LEU  42          2HB       LEU  42  -5.866  -7.005  -3.276
  310   2HB   LEU  42          1HB       LEU  42  -4.126  -7.137  -3.368
  311    HG   LEU  42           HG       LEU  42  -5.622  -5.135  -2.098
  312   1HD1  LEU  42          1HD2      LEU  42  -3.669  -4.762  -1.082
  313   2HD1  LEU  42          2HD2      LEU  42  -2.795  -4.560  -2.601
  314   3HD1  LEU  42          3HD2      LEU  42  -3.129  -6.179  -1.984
  315   1HD2  LEU  42          1HD1      LEU  42  -5.688  -4.118  -4.475
  316   2HD2  LEU  42          2HD1      LEU  42  -3.985  -3.766  -4.194
  317   3HD2  LEU  42          3HD1      LEU  42  -5.214  -3.099  -3.119
  318    H    GLY  43           H        GLY  43  -6.405  -8.535  -5.087
  319   1HA   GLY  43          1HA       GLY  43  -4.419 -10.408  -5.859
  320   2HA   GLY  43          2HA       GLY  43  -6.151 -10.701  -5.810
  321    H    ALA  44           H        ALA  44  -6.258  -8.190  -7.682
  322    HA   ALA  44           HA       ALA  44  -6.540  -9.645 -10.094
  323   1HB   ALA  44          1HB       ALA  44  -7.414  -7.226  -9.200
  324   2HB   ALA  44          2HB       ALA  44  -7.521  -7.784 -10.869
  325   3HB   ALA  44          3HB       ALA  44  -6.182  -6.753 -10.369
  326    H    LEU  45           H        LEU  45  -4.027  -7.530  -8.803
  327    HA   LEU  45           HA       LEU  45  -2.379  -7.165 -10.950
  328   1HB   LEU  45          2HB       LEU  45  -1.848  -7.626  -8.042
  329   2HB   LEU  45          1HB       LEU  45  -0.518  -7.416  -9.160
  330    HG   LEU  45           HG       LEU  45  -1.324  -5.204  -9.756
  331   1HD1  LEU  45          1HD2      LEU  45  -3.580  -5.792  -7.852
  332   2HD1  LEU  45          2HD2      LEU  45  -3.701  -5.543  -9.595
  333   3HD1  LEU  45          3HD2      LEU  45  -3.231  -4.208  -8.543
  334   1HD2  LEU  45          1HD1      LEU  45  -1.207  -5.640  -6.780
  335   2HD2  LEU  45          2HD1      LEU  45  -1.020  -4.084  -7.589
  336   3HD2  LEU  45          3HD1      LEU  45   0.166  -5.363  -7.853
  337    H    LYS  46           H        LYS  46  -2.971 -10.065  -9.186
  338    HA   LYS  46           HA       LYS  46  -2.615 -12.247  -9.821
  339   1HB   LYS  46          2HB       LYS  46  -2.237 -11.536 -12.174
  340   2HB   LYS  46          1HB       LYS  46  -0.543 -11.257 -11.778
  341   1HG   LYS  46          2HG       LYS  46  -0.081 -13.475 -11.512
  342   2HG   LYS  46          1HG       LYS  46  -1.763 -13.893 -11.192
  343   1HD   LYS  46          1HD       LYS  46  -1.184 -12.760 -13.858
  344   2HD   LYS  46          2HD       LYS  46  -0.537 -14.371 -13.542
  345   1HE   LYS  46          2HE       LYS  46  -3.417 -13.548 -13.192
  346   2HE   LYS  46          1HE       LYS  46  -2.774 -14.434 -14.575
  347   1HZ   LYS  46          1HZ       LYS  46  -3.544 -15.409 -12.014
  348   2HZ   LYS  46          2HZ       LYS  46  -1.952 -15.850 -12.376
  349   3HZ   LYS  46          3HZ       LYS  46  -3.206 -16.268 -13.432
  350    H    ILE  47           H        ILE  47  -1.035 -10.380  -8.019
  351    HA   ILE  47           HA       ILE  47   1.502 -11.759  -7.735
  352    HB   ILE  47           HB       ILE  47   0.505  -9.791  -5.715
  353   1HG1  ILE  47          1HG1      ILE  47   1.681  -9.033  -8.401
  354   2HG1  ILE  47          2HG1      ILE  47   0.007  -8.782  -7.919
  355   1HG2  ILE  47          1HG2      ILE  47   2.594 -10.798  -5.220
  356   2HG2  ILE  47          2HG2      ILE  47   2.934  -9.157  -5.767
  357   3HG2  ILE  47          3HG2      ILE  47   3.190 -10.519  -6.856
  358   1HD1  ILE  47          1HD1      ILE  47   1.985  -7.638  -6.094
  359   2HD1  ILE  47          2HD1      ILE  47   0.489  -6.956  -6.731
  360   3HD1  ILE  47          3HD1      ILE  47   1.956  -6.932  -7.709
  361    HA   PRO  48           HA       PRO  48   0.174 -14.971  -4.983
  362   1HB   PRO  48          2HB       PRO  48   2.361 -14.653  -3.206
  363   2HB   PRO  48          1HB       PRO  48   2.225 -15.809  -4.532
  364   1HG   PRO  48          2HG       PRO  48   3.593 -13.175  -4.447
  365   2HG   PRO  48          1HG       PRO  48   3.995 -14.625  -5.384
  366   1HD   PRO  48          2HD       PRO  48   2.897 -12.480  -6.548
  367   2HD   PRO  48          1HD       PRO  48   2.455 -14.124  -7.050
  368    H    GLU  49           H        GLU  49  -0.575 -15.256  -2.810
  369    HA   GLU  49           HA       GLU  49  -1.548 -12.790  -1.659
  370   1HB   GLU  49          1HB       GLU  49  -2.667 -15.228  -1.905
  371   2HB   GLU  49          2HB       GLU  49  -2.030 -15.366  -0.273
  372   1HG   GLU  49          2HG       GLU  49  -3.335 -13.574   0.503
  373   2HG   GLU  49          1HG       GLU  49  -3.722 -13.043  -1.134
  374    H    GLN  50           H        GLN  50   0.990 -12.462  -1.308
  375    HA   GLN  50           HA       GLN  50   1.980 -13.632   1.135
  376   1HB   GLN  50          1HB       GLN  50   3.156 -11.238  -0.261
  377   2HB   GLN  50          2HB       GLN  50   3.976 -12.434   0.733
  378   1HG   GLN  50          2HG       GLN  50   3.181 -14.075  -1.154
  379   2HG   GLN  50          1HG       GLN  50   3.116 -12.593  -2.107
  380   1HE2  GLN  50          2HE2      GLN  50   4.881 -15.026  -2.108
  381   2HE2  GLN  50          1HE2      GLN  50   6.483 -14.387  -2.089
  382    H    TYR  51           H        TYR  51   1.233 -10.298   0.118
  383    HA   TYR  51           HA       TYR  51   0.263  -9.754   2.830
  384   1HB   TYR  51          1HB       TYR  51   1.905  -7.681   1.409
  385   2HB   TYR  51          2HB       TYR  51   1.553  -7.831   3.128
  386    HD1  TYR  51           HD1      TYR  51   2.913  -9.191   4.560
  387    HD2  TYR  51           HD2      TYR  51   3.624  -9.110   0.366
  388    HE1  TYR  51           HE1      TYR  51   5.070 -10.320   4.909
  389    HE2  TYR  51           HE2      TYR  51   5.782 -10.239   0.703
  390    HH   TYR  51           HH       TYR  51   6.663 -11.667   3.682
  391    H    ARG  52           H        ARG  52  -1.127 -10.289   0.372
  392    HA   ARG  52           HA       ARG  52  -2.002  -8.034  -0.997
  393   1HB   ARG  52          2HB       ARG  52  -2.583 -10.740  -1.020
  394   2HB   ARG  52          1HB       ARG  52  -4.107 -10.006  -0.542
  395   1HG   ARG  52          2HG       ARG  52  -4.441  -9.055  -2.564
  396   2HG   ARG  52          1HG       ARG  52  -2.721  -8.765  -2.832
  397   1HD   ARG  52          2HD       ARG  52  -3.152 -10.404  -4.389
  398   2HD   ARG  52          1HD       ARG  52  -2.597 -11.361  -3.017
  399    HE   ARG  52           HE       ARG  52  -5.339 -11.170  -2.766
  400   1HH1  ARG  52          1HH2      ARG  52  -3.067 -12.434  -5.080
  401   2HH1  ARG  52          2HH2      ARG  52  -4.129 -13.682  -5.638
  402   1HH2  ARG  52          1HH1      ARG  52  -6.749 -12.808  -3.492
  403   2HH2  ARG  52          2HH1      ARG  52  -6.224 -13.895  -4.734
  404    H    MET  53           H        MET  53  -3.871  -9.728   1.527
  405    HA   MET  53           HA       MET  53  -5.760  -7.737   1.925
  406   1HB   MET  53          1HB       MET  53  -4.679  -9.807   3.842
  407   2HB   MET  53          2HB       MET  53  -6.070  -8.790   4.197
  408   1HG   MET  53          1HG       MET  53  -7.166  -9.709   2.154
  409   2HG   MET  53          2HG       MET  53  -5.818 -10.833   2.006
  410   1HE   MET  53          1HE       MET  53  -7.220 -12.704   1.859
  411   2HE   MET  53          2HE       MET  53  -8.858 -12.271   2.349
  412   3HE   MET  53          3HE       MET  53  -7.991 -13.548   3.202
  413    H    THR  54           H        THR  54  -2.549  -8.096   3.288
  414    HA   THR  54           HA       THR  54  -2.703  -6.221   5.349
  415    HB   THR  54           HB       THR  54  -0.367  -7.005   3.597
  416    HG1  THR  54           HG1      THR  54   0.150  -8.228   5.514
  417   1HG2  THR  54          1HG2      THR  54   0.260  -4.944   4.595
  418   2HG2  THR  54          2HG2      THR  54   1.044  -6.243   5.494
  419   3HG2  THR  54          3HG2      THR  54  -0.379  -5.443   6.160
  420    H    ILE  55           H        ILE  55  -1.694  -5.779   1.963
  421    HA   ILE  55           HA       ILE  55  -1.278  -2.986   2.171
  422    HB   ILE  55           HB       ILE  55  -1.903  -4.629  -0.280
  423   1HG1  ILE  55          2HG1      ILE  55   0.798  -3.635   0.620
  424   2HG1  ILE  55          1HG1      ILE  55   0.169  -5.199   1.130
  425   1HG2  ILE  55          1HG2      ILE  55  -1.405  -1.775   0.125
  426   2HG2  ILE  55          2HG2      ILE  55  -2.153  -2.616  -1.232
  427   3HG2  ILE  55          3HG2      ILE  55  -0.396  -2.519  -1.116
  428   1HD1  ILE  55          1HD1      ILE  55  -0.088  -5.754  -1.313
  429   2HD1  ILE  55          2HD1      ILE  55   1.565  -5.610  -0.714
  430   3HD1  ILE  55          3HD1      ILE  55   0.849  -4.296  -1.647
  431    H    TRP  56           H        TRP  56  -4.078  -4.965   1.392
  432    HA   TRP  56           HA       TRP  56  -5.776  -2.946   0.435
  433   1HB   TRP  56          1HB       TRP  56  -6.486  -5.178   0.107
  434   2HB   TRP  56          2HB       TRP  56  -6.259  -5.589   1.802
  435    HD1  TRP  56           HD1      TRP  56  -8.377  -2.694   0.325
  436    HE1  TRP  56           HE1      TRP  56 -10.786  -2.965   1.205
  437    HE3  TRP  56           HE3      TRP  56  -7.820  -7.069   2.898
  438    HZ2  TRP  56           HZ2      TRP  56 -12.243  -4.772   2.767
  439    HZ3  TRP  56           HZ3      TRP  56  -9.777  -8.008   4.064
  440    HH2  TRP  56           HH2      TRP  56 -11.946  -6.881   4.000
  441    H    ARG  57           H        ARG  57  -5.512  -4.330   3.709
  442    HA   ARG  57           HA       ARG  57  -7.261  -2.626   5.015
  443   1HB   ARG  57          1HB       ARG  57  -4.703  -3.582   6.283
  444   2HB   ARG  57          2HB       ARG  57  -6.271  -3.334   7.039
  445   1HG   ARG  57          1HG       ARG  57  -6.673  -5.246   5.026
  446   2HG   ARG  57          2HG       ARG  57  -5.182  -5.701   5.854
  447   1HD   ARG  57          2HD       ARG  57  -7.194  -4.887   7.748
  448   2HD   ARG  57          1HD       ARG  57  -7.809  -6.163   6.699
  449    HE   ARG  57           HE       ARG  57  -5.734  -6.392   8.688
  450   1HH1  ARG  57          1HH1      ARG  57  -7.150  -7.770   5.819
  451   2HH1  ARG  57          2HH1      ARG  57  -6.531  -9.359   6.120
  452   1HH2  ARG  57          2HH2      ARG  57  -4.913  -8.481   9.093
  453   2HH2  ARG  57          1HH2      ARG  57  -5.258  -9.763   7.981
  454    H    GLY  58           H        GLY  58  -3.859  -2.172   4.209
  455   1HA   GLY  58          1HA       GLY  58  -3.525   0.275   5.624
  456   2HA   GLY  58          2HA       GLY  58  -2.494  -0.323   4.331
  457    H    LEU  59           H        LEU  59  -4.418  -0.508   2.294
  458    HA   LEU  59           HA       LEU  59  -4.439   2.145   1.325
  459   1HB   LEU  59          1HB       LEU  59  -5.002  -0.447   0.325
  460   2HB   LEU  59          2HB       LEU  59  -6.413   0.540   0.001
  461    HG   LEU  59           HG       LEU  59  -5.101   2.116  -1.263
  462   1HD1  LEU  59          1HD2      LEU  59  -2.946   2.438  -0.866
  463   2HD1  LEU  59          2HD2      LEU  59  -2.583   0.808  -1.431
  464   3HD1  LEU  59          3HD2      LEU  59  -2.956   1.089   0.270
  465   1HD2  LEU  59          1HD1      LEU  59  -5.242  -0.695  -1.913
  466   2HD2  LEU  59          2HD1      LEU  59  -3.873   0.086  -2.705
  467   3HD2  LEU  59          3HD1      LEU  59  -5.505   0.714  -2.940
  468    H    GLN  60           H        GLN  60  -6.870   0.124   2.877
  469    HA   GLN  60           HA       GLN  60  -9.073   1.856   2.514
  470   1HB   GLN  60          1HB       GLN  60  -8.481  -0.265   4.581
  471   2HB   GLN  60          2HB       GLN  60 -10.004   0.610   4.525
  472   1HG   GLN  60          1HG       GLN  60 -10.256  -0.200   2.158
  473   2HG   GLN  60          2HG       GLN  60  -8.871  -1.250   2.458
  474   1HE2  GLN  60          1HE2      GLN  60  -9.059  -2.798   4.206
  475   2HE2  GLN  60          2HE2      GLN  60 -10.609  -3.460   4.585
  476    H    ASP  61           H        ASP  61  -6.447   1.756   4.808
  477    HA   ASP  61           HA       ASP  61  -7.458   3.408   6.819
  478   1HB   ASP  61          2HB       ASP  61  -5.075   2.142   6.367
  479   2HB   ASP  61          1HB       ASP  61  -4.620   3.829   6.145
  480    H    LEU  62           H        LEU  62  -6.132   4.135   3.666
  481    HA   LEU  62           HA       LEU  62  -5.758   6.907   3.970
  482   1HB   LEU  62          1HB       LEU  62  -6.546   5.400   1.472
  483   2HB   LEU  62          2HB       LEU  62  -5.824   6.996   1.532
  484    HG   LEU  62           HG       LEU  62  -4.369   4.657   2.710
  485   1HD1  LEU  62          1HD2      LEU  62  -5.151   4.148   0.347
  486   2HD1  LEU  62          2HD2      LEU  62  -3.417   4.057   0.649
  487   3HD1  LEU  62          3HD2      LEU  62  -4.096   5.463  -0.170
  488   1HD2  LEU  62          1HD1      LEU  62  -3.798   7.245   2.790
  489   2HD2  LEU  62          2HD1      LEU  62  -3.092   6.875   1.216
  490   3HD2  LEU  62          3HD1      LEU  62  -2.546   6.010   2.652
  491    H    LYS  63           H        LYS  63  -8.543   4.984   2.980
  492    HA   LYS  63           HA       LYS  63 -10.203   7.382   2.813
  493   1HB   LYS  63          1HB       LYS  63 -10.177   5.264   1.193
  494   2HB   LYS  63          2HB       LYS  63 -11.320   4.653   2.379
  495   1HG   LYS  63          2HG       LYS  63 -12.525   5.678   0.581
  496   2HG   LYS  63          1HG       LYS  63 -12.706   6.668   2.030
  497   1HD   LYS  63          1HD       LYS  63 -12.228   8.312   0.527
  498   2HD   LYS  63          2HD       LYS  63 -10.583   7.886   1.003
  499   1HE   LYS  63          1HE       LYS  63 -10.304   7.772  -1.240
  500   2HE   LYS  63          2HE       LYS  63 -10.903   6.134  -0.977
  501   1HZ   LYS  63          1HZ       LYS  63 -13.086   7.878  -1.303
  502   2HZ   LYS  63          2HZ       LYS  63 -12.625   6.570  -2.273
  503   3HZ   LYS  63          3HZ       LYS  63 -12.009   8.114  -2.587
  504    H    GLN  64           H        GLN  64  -9.228   6.706   5.353
  505    HA   GLN  64           HA       GLN  64 -11.748   6.077   6.729
  506   1HB   GLN  64          2HB       GLN  64  -9.009   4.953   7.268
  507   2HB   GLN  64          1HB       GLN  64 -10.224   5.031   8.537
  508   1HG   GLN  64          2HG       GLN  64 -10.854   3.742   5.916
  509   2HG   GLN  64          1HG       GLN  64  -9.962   2.866   7.160
  510   1HE2  GLN  64          1HE2      GLN  64 -11.062   3.321   9.439
  511   2HE2  GLN  64          2HE2      GLN  64 -12.753   2.970   9.467
  512    H    GLY  65           H        GLY  65  -8.518   7.518   6.986
  513   1HA   GLY  65          2HA       GLY  65  -9.271   9.069   9.314
  514   2HA   GLY  65          1HA       GLY  65  -7.726   9.121   8.477
  515    H    HIS  66           H        HIS  66  -7.488  10.460   6.647
  516    HA   HIS  66           HA       HIS  66  -9.691  12.301   6.075
  517   1HB   HIS  66          2HB       HIS  66  -7.302  12.974   7.551
  518   2HB   HIS  66          1HB       HIS  66  -7.375  13.897   6.054
  519    HD1  HIS  66           HD1      HIS  66 -10.528  12.978   7.836
  520    HD2  HIS  66           HD2      HIS  66  -8.014  16.262   7.417
  521    HE1  HIS  66           HE1      HIS  66 -11.794  14.923   8.806
  522    HE2  HIS  66           HE2      HIS  66 -10.254  16.900   8.542
  523    H    ASP  67           H        ASP  67  -8.687  13.955   4.293
  524    HA   ASP  67           HA       ASP  67  -6.799  13.021   2.467
  525   1HB   ASP  67          2HB       ASP  67  -8.543  12.356   0.647
  526   2HB   ASP  67          1HB       ASP  67  -8.063  11.164   1.851
  527    H    TYR  68           HN       TYR  68  -6.267  14.700   1.236
  528    HA   TYR  68           HA       TYR  68  -6.314  16.751   0.253
  529   1HB   TYR  68          2HB       TYR  68  -8.906  15.515  -0.400
  530   2HB   TYR  68          1HB       TYR  68  -8.869  17.270  -0.550
  531    HD1  TYR  68           HD1      TYR  68  -7.483  14.116  -1.824
  532    HD2  TYR  68           HD2      TYR  68  -7.559  18.348  -2.260
  533    HE1  TYR  68           HE1      TYR  68  -6.396  13.904  -4.019
  534    HE2  TYR  68           HE2      TYR  68  -6.473  18.147  -4.458
  535    HH   TYR  68           HH       TYR  68  -6.362  16.200  -6.285